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Glycerol-3-phosphate phosphatase

Glycerol-3-phosphate phosphatase hydrolyzing glycerol-3-phosphate into glycerol. Thereby, regulates the cellular levels of glycerol-3-phosphate a metabolic intermediate of glucose, lipid and energy metabolism. Was also shown to have a 2-phosphoglycolate phosphatase activity and a tyrosine-protein phosphatase activity. However, their physiological relevance is unclear. In vitro, also has a phosphatase activity toward ADP, ATP, GDP and GTP.

AlphaFold DB , UniProt , Accession A0A060XDI6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene pgp, Length 306 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
1M33.3Very low76.8Confident239 Ų23981.5 Ų81.5100%1.17748%0.481SS*.  0125.80-73.3-177-11600107V3M1-V3 PolarHBondContact O-N 3.24Å
2A42Very low77.6Confident106 Ų10683.7 Ų83.788%0.87650%0.499SS*.PPolyproline II helixtrans-62122174.400000108S4A2-S4 PolarHBondContact O-N 3.07Å
3V55.9Low78.7Confident102 Ų10280.2 Ų80.262%0.61848%0.476SS*.PPolyproline II helixtrans-64.3127.5172.8-178.30000106.6M1 K5M1-V3 PolarHBondContact O-N 3.24Å; V3-K5 PolarHBondContact O-N 2.7Å; V3-K5 VanDerWaalsContact O-N 3.15Å
4S73.9Confident79.9Confident84 Ų8475.1 Ų75.159%0.58745%0.445SS*.PPolyproline II helixtrans-57.2119.2175.8-175.10000109.1A2 T7A2-S4 PolarHBondContact O-N 3.07Å; S4-T7 PolarHBondContact O-OG1 3.47Å; S4-T7 PolarHBondContact OG-OG1 3.1Å
5K87.9Confident80.8Confident69 Ų6978.2 Ų78.230%0.345%0.451SS..SBendtrans-78.9163.9172.4-78-161.6162.8-154.10110.8V3 T7 L286 V289V3-K5 PolarHBondContact O-N 2.7Å; V3-K5 VanDerWaalsContact O-N 3.15Å; K5-T7 VanDerWaalsContact C-N 3.28Å; K5-T7 PolarHBondContact O-N 3.22Å; K5-L286 PolarHBondContact NZ-O 3.36Å; K5-V289 HydrophobicContact CB-CG1 3.9Å; K5-V289 HydrophobicContact CD-CB 4.25Å; K5-V289 HydrophobicContact CD-CG1 4.19Å; K5-V289 PolarHBondContact NZ-O 3.34Å
6C93.9Very high81.6Confident16 Ų1681.6 Ų81.611%0.10846%0.461CS..SBendtrans55.841.3-178.7-157.40000112.6V289 P290 D291 Y293C6-V289 HydrophobicContact CB-CG1 3.96Å; C6-P290 WeakPolarHBondContact CA-O 3.32Å; C6-P290 PolarHBondContact N-O 3.15Å; C6-D291 PolarHBondContact N-O 2.66Å; C6-Y293 WeakPolarHBondContact O-CE1 3.37Å
7T95.4Very high82.5Confident39 Ų3976.8 Ų76.824%0.23943%0.434CS..EExtended strand (participates in β ladder)trans-92.9131.1-176.5-58.80000111.1S4 K5 L9 L13 D291 Y292 Y293S4-T7 PolarHBondContact O-OG1 3.47Å; S4-T7 PolarHBondContact OG-OG1 3.1Å; K5-T7 VanDerWaalsContact C-N 3.28Å; K5-T7 PolarHBondContact O-N 3.22Å; T7-L9 PolarHBondContact O-N 2.89Å; T7-L13 HydrophobicContact CG2-CD2 3.9Å; T7-D291 PolarHBondContact N-O 3.25Å; T7-D291 VanDerWaalsContact N-O 3.08Å; T7-Y292 CarbonylContact O-C 3.58Å; T7-Y292 VanDerWaalsContact O-CA 3.22Å; T7-Y292 WeakPolarHBondContact O-CA 3.46Å; T7-Y293 PolarHBondContact O-N 2.81Å
8R95.9Very high83.3Confident98 Ų9873 Ų7337%0.3741%0.412SS..EExtended strand (participates in β ladder)trans-63.9125.6173.4-167.4164.3176.7140.82110.3N10 Y293 E295 E299R8-N10 PolarHBondContact O-N 2.71Å; R8-Y293 HydrophobicContact CB-CD1 4.39Å; R8-Y293 HydrophobicContact CB-CE1 3.7Å; R8-Y293 HydrophobicContact CB-CE2 3.99Å; R8-Y293 VanDerWaalsContact CB-CZ 3.48Å; R8-Y293 HydrophobicContact CG-CD2 4.41Å; R8-Y293 HydrophobicContact CG-CE1 4.45Å; R8-Y293 HydrophobicContact CG-CE2 3.84Å; R8-Y293 VanDerWaalsContact N-CE1 3.26Å; R8-E295 IonicContact CZ-OE1 3.81Å; R8-E295 IonicContact NH1-OE1 2.85Å; R8-E295 PolarHBondContact NH1-OE1 3.4Å; R8-E295 IonicContact NH2-OE1 3.71Å; R8-E295 PolarHBondContact NH2-OE1 3.02Å; R8-E299 IonicContact NH2-OE1 2.78Å; R8-E299 PolarHBondContact NH2-OE1 3.02Å
9L93.9Very high84Confident3 Ų374.3 Ų74.32%0.01642%0.418CS..PPolyproline II helixtrans-72.4130.4170.9-78177.6000110.3T7 L13 I14 M17 L262 Y292 Y293 V294T7-L9 PolarHBondContact O-N 2.89Å; L9-L13 HydrophobicContact CD2-CB 4.19Å; L9-L13 HydrophobicContact CD2-CD2 3.84Å; L9-L13 HydrophobicContact CD2-CG 3.63Å; L9-I14 HydrophobicContact CB-CG1 3.77Å; L9-M17 HydrophobicContact CD1-CE 3.74Å; L9-M17 HydrophobicContact CD2-CB 4.27Å; L9-L262 HydrophobicContact CD1-CD1 3.56Å; L9-L262 HydrophobicContact CD1-CD2 4.11Å; L9-L262 HydrophobicContact CD1-CG 4.45Å; L9-L262 HydrophobicContact CG-CD1 4.39Å; L9-Y292 HydrophobicContact CD1-CG 4.11Å; L9-Y292 HydrophobicContact CD2-CD1 3.4Å; L9-Y292 HydrophobicContact CD2-CD2 4.4Å; L9-Y292 HydrophobicContact CD2-CE1 3.85Å; L9-Y292 HydrophobicContact CD2-CG 3.72Å; L9-Y292 HydrophobicContact CG-CD1 3.83Å; L9-Y292 HydrophobicContact CG-CG 3.83Å; L9-Y293 PolarHBondContact N-O 3.15Å; L9-V294 HydrophobicContact CB-CG1 3.77Å; L9-V294 HydrophobicContact CD1-CG1 4.19Å; L9-V294 HydrophobicContact CG-CG1 4.49Å
10N89.6Confident84.6Confident92 Ų9272.3 Ų72.349%0.49241%0.409SS..  trans-139.4164.1174.860.653.7000109.7R8 P12 L13 I14R8-N10 PolarHBondContact O-N 2.71Å; N10-P12 VanDerWaalsContact O-N 3.15Å; N10-L13 WeakPolarHBondContact O-CA 3.4Å; N10-L13 WeakPolarHBondContact O-CB 3.3Å; N10-L13 PolarHBondContact O-N 3.26Å; N10-I14 PolarHBondContact O-N 3.22Å
11G83.1Confident85.3Confident49 Ų4968.9 Ų68.951%0.50539%0.39SS..Hα-helixtrans-17.6-78.9-169.400000116.7L13 I14 K15G11-L13 VanDerWaalsContact C-N 3.33Å; G11-L13 PolarHBondContact O-N 2.79Å; G11-I14 WeakPolarHBondContact O-CB 3.49Å; G11-I14 PolarHBondContact O-N 2.72Å; G11-K15 PolarHBondContact O-N 3.3Å
12P86.1Confident88.4Confident107 Ų10760.8 Ų60.870%0.69535%0.352SS*.Hα-helixtrans-61.8-36.6-176-23.234.2000114.1N10 I14 K15 Q16N10-P12 VanDerWaalsContact O-N 3.15Å; P12-I14 VanDerWaalsContact C-N 3.34Å; P12-K15 PolarHBondContact O-N 3.36Å; P12-Q16 PolarHBondContact O-N 2.65Å; P12-Q16 VanDerWaalsContact O-N 3.11Å
13L92.6Very high91Very high38 Ų3856 Ų5620%0.19931%0.311CS..Hα-helixtrans-70.7-31.9-178.5-168.763.1000111.7T7 L9 N10 G11 Q16 M17 Y292T7-L13 HydrophobicContact CG2-CD2 3.9Å; L9-L13 HydrophobicContact CD2-CB 4.19Å; L9-L13 HydrophobicContact CD2-CD2 3.84Å; L9-L13 HydrophobicContact CD2-CG 3.63Å; N10-L13 WeakPolarHBondContact O-CA 3.4Å; N10-L13 WeakPolarHBondContact O-CB 3.3Å; N10-L13 PolarHBondContact O-N 3.26Å; G11-L13 VanDerWaalsContact C-N 3.33Å; G11-L13 PolarHBondContact O-N 2.79Å; L13-Q16 PolarHBondContact O-N 3.44Å; L13-M17 VanDerWaalsContact O-CB 3.25Å; L13-M17 WeakPolarHBondContact O-CB 3.27Å; L13-M17 PolarHBondContact O-N 3.09Å; L13-Y292 HydrophobicContact CD1-CE1 4.4Å; L13-Y292 HydrophobicContact CD2-CD1 4.31Å; L13-Y292 HydrophobicContact CD2-CE1 3.95Å; L13-Y292 HydrophobicContact CG-CE1 4.2Å
14I94.6Very high93.1Very high10 Ų1051.1 Ų51.15%0.05128%0.282CS..Hα-helixtrans-59.8-50.8173.2-67.7167.9000109.8L9 N10 G11 P12 Q16 M17 L18 E299 L300 A303L9-I14 HydrophobicContact CB-CG1 3.77Å; N10-I14 PolarHBondContact O-N 3.22Å; G11-I14 WeakPolarHBondContact O-CB 3.49Å; G11-I14 PolarHBondContact O-N 2.72Å; P12-I14 VanDerWaalsContact C-N 3.34Å; I14-Q16 PolarHBondContact O-N 2.76Å; I14-M17 PolarHBondContact O-N 3.4Å; I14-L18 HydrophobicContact CG2-CD1 3.78Å; I14-L18 HydrophobicContact CG2-CG 4.27Å; I14-L18 WeakPolarHBondContact O-CB 3.47Å; I14-L18 VanDerWaalsContact O-CG 3.32Å; I14-L18 WeakPolarHBondContact O-CG 3.43Å; I14-L18 PolarHBondContact O-N 3.14Å; I14-E299 WeakPolarHBondContact CD1-O 3.48Å; I14-L300 HydrophobicContact CG1-CD2 4.44Å; I14-L300 HydrophobicContact CG2-CD2 3.71Å; I14-A303 HydrophobicContact CB-CB 4.23Å; I14-A303 HydrophobicContact CG2-CB 3.47Å; I14-A303 VanDerWaalsContact CG2-CB 3.47Å
15K93.6Very high94.3Very high121 Ų12147.1 Ų47.153%0.52625%0.254SS..Hα-helixtrans-61.2-47.5-179.6-174.3170.4-177.5171.30111.5G11 P12 M17 L18 D19G11-K15 PolarHBondContact O-N 3.3Å; P12-K15 PolarHBondContact O-N 3.36Å; K15-M17 VanDerWaalsContact C-N 3.3Å; K15-M17 PolarHBondContact O-N 3.45Å; K15-L18 PolarHBondContact O-N 3.4Å; K15-D19 WeakPolarHBondContact O-CB 3.45Å; K15-D19 VanDerWaalsContact O-CG 3.26Å; K15-D19 PolarHBondContact O-N 2.88Å
16Q94.6Very high94.8Very high132 Ų13243.9 Ų43.962%0.61724%0.24SC*.Hα-helixtrans-58-42.7176.6-175.8-177.20.300112.4P12 L13 I14 S20P12-Q16 PolarHBondContact O-N 2.65Å; P12-Q16 VanDerWaalsContact O-N 3.11Å; L13-Q16 PolarHBondContact O-N 3.44Å; I14-Q16 PolarHBondContact O-N 2.76Å; Q16-S20 WeakPolarHBondContact O-CB 3.25Å; Q16-S20 PolarHBondContact O-N 3.35Å; Q16-S20 VanDerWaalsContact O-N 3.14Å
17M96.3Very high95Very high1 Ų143.6 Ų43.61%0.00524%0.237CC..Hα-helixtrans-63.3-49.5177.1-178.6-76.5-7100110.6L9 L13 I14 K15 D19 S20 V21 L241 L262 Y292 L300L9-M17 HydrophobicContact CD1-CE 3.74Å; L9-M17 HydrophobicContact CD2-CB 4.27Å; L13-M17 VanDerWaalsContact O-CB 3.25Å; L13-M17 WeakPolarHBondContact O-CB 3.27Å; L13-M17 PolarHBondContact O-N 3.09Å; I14-M17 PolarHBondContact O-N 3.4Å; K15-M17 VanDerWaalsContact C-N 3.3Å; K15-M17 PolarHBondContact O-N 3.45Å; M17-D19 VanDerWaalsContact C-N 3.33Å; M17-D19 PolarHBondContact O-N 2.89Å; M17-S20 WeakPolarHBondContact O-CB 3.45Å; M17-S20 PolarHBondContact O-N 2.9Å; M17-S20 VanDerWaalsContact O-N 3.09Å; M17-S20 PolarHBondContact O-OG 3.11Å; M17-V21 HydrophobicContact SD-CG2 4.47Å; M17-L241 HydrophobicContact CE-CD2 3.9Å; M17-L241 HydrophobicContact SD-CD1 4.08Å; M17-L241 HydrophobicContact SD-CD2 3.57Å; M17-L241 VanDerWaalsContact SD-CD2 3.57Å; M17-L241 HydrophobicContact SD-CG 4.39Å; M17-L262 HydrophobicContact CE-CD2 4.37Å; M17-Y292 HydrophobicContact CG-CD2 4.07Å; M17-Y292 HydrophobicContact CG-CE2 3.88Å; M17-L300 HydrophobicContact CE-CD2 4.13Å
18L96.8Very high95Very high8 Ų841.8 Ų41.84%0.04223%0.226CC..Hα-helixtrans-61.5-38.5179.1-71174.6000112.5I14 K15 S20 V21 L49 K54 A303 L304I14-L18 HydrophobicContact CG2-CD1 3.78Å; I14-L18 HydrophobicContact CG2-CG 4.27Å; I14-L18 WeakPolarHBondContact O-CB 3.47Å; I14-L18 VanDerWaalsContact O-CG 3.32Å; I14-L18 WeakPolarHBondContact O-CG 3.43Å; I14-L18 PolarHBondContact O-N 3.14Å; K15-L18 PolarHBondContact O-N 3.4Å; L18-S20 VanDerWaalsContact C-N 3.27Å; L18-S20 PolarHBondContact O-N 3.5Å; L18-V21 PolarHBondContact O-N 3.38Å; L18-V21 VanDerWaalsContact O-O 3.11Å; L18-L49 HydrophobicContact CD2-CD2 3.84Å; L18-K54 WeakPolarHBondContact O-CE 3.43Å; L18-K54 PolarHBondContact O-NZ 3.08Å; L18-A303 HydrophobicContact CD1-CB 4.11Å; L18-L304 HydrophobicContact CD1-CD2 3.92Å; L18-L304 HydrophobicContact CD1-CG 4.11Å
19D95.8Very high94.9Very high98 Ų9839.5 Ų39.552%0.52422%0.221SC..Hα-helixtrans-68.8-27.9177-69.5-19.1000112.1K15 M17 V21 R239K15-D19 WeakPolarHBondContact O-CB 3.45Å; K15-D19 VanDerWaalsContact O-CG 3.26Å; K15-D19 PolarHBondContact O-N 2.88Å; M17-D19 VanDerWaalsContact C-N 3.33Å; M17-D19 PolarHBondContact O-N 2.89Å; D19-V21 VanDerWaalsContact C-N 3.28Å; D19-V21 PolarHBondContact O-N 3.23Å; D19-R239 PolarHBondContact O-NH2 3.01Å
20S97.1Very high94.8Very high34 Ų3439.8 Ų39.824%0.23823%0.225CC..THydrogen-bonded Turntrans-76.6-9.7179.978.30000114.8Q16 M17 L18 R239 K260Q16-S20 WeakPolarHBondContact O-CB 3.25Å; Q16-S20 PolarHBondContact O-N 3.35Å; Q16-S20 VanDerWaalsContact O-N 3.14Å; M17-S20 WeakPolarHBondContact O-CB 3.45Å; M17-S20 PolarHBondContact O-N 2.9Å; M17-S20 VanDerWaalsContact O-N 3.09Å; M17-S20 PolarHBondContact O-OG 3.11Å; L18-S20 VanDerWaalsContact C-N 3.27Å; L18-S20 PolarHBondContact O-N 3.5Å; S20-R239 PolarHBondContact O-NH1 3.39Å; S20-K260 VanDerWaalsContact OG-CE 3.27Å; S20-K260 WeakPolarHBondContact OG-CE 3.48Å
21V98.3Very high95.1Very high0 Ų035.4 Ų35.40%020%0.201CC..  trans-125.7146.7-176.1-60.20000112.1M17 L18 D19 V24 K54 R239 L241 K260M17-V21 HydrophobicContact SD-CG2 4.47Å; L18-V21 PolarHBondContact O-N 3.38Å; L18-V21 VanDerWaalsContact O-O 3.11Å; D19-V21 VanDerWaalsContact C-N 3.28Å; D19-V21 PolarHBondContact O-N 3.23Å; V21-V24 HydrophobicContact CG2-CG2 4.44Å; V21-K54 WeakPolarHBondContact O-CE 3.41Å; V21-K54 PolarHBondContact O-NZ 3.28Å; V21-R239 CarbonylContact C-O 3.49Å; V21-R239 VanDerWaalsContact CA-O 3.3Å; V21-R239 WeakPolarHBondContact CA-O 3.27Å; V21-R239 WeakPolarHBondContact CB-O 3.35Å; V21-L241 HydrophobicContact CG1-CB 4.17Å; V21-L241 HydrophobicContact CG2-CB 4.36Å; V21-K260 HydrophobicContact CG1-CD 3.79Å
22D98.3Very high95.8Very high70 Ų7033 Ų3337%0.37418%0.177SC..SBendtrans-105.8-25173.9-62.5-27000112.1K54 K55 R239D22-K54 WeakPolarHBondContact O-CA 3.22Å; D22-K55 PolarHBondContact O-N 3.08Å; D22-R239 HydrophobicContact CB-CB 4.47Å; D22-R239 PolarHBondContact N-O 2.9Å; D22-R239 IonicContact OD1-CZ 3.37Å; D22-R239 IonicContact OD1-NE 3.22Å; D22-R239 PolarHBondContact OD1-NE 2.85Å; D22-R239 IonicContact OD1-NH2 2.71Å; D22-R239 PolarHBondContact OD1-NH2 3.4Å; D22-R239 WeakPolarHBondContact OD2-CD 3.49Å; D22-R239 IonicContact OD2-CZ 3.65Å; D22-R239 IonicContact OD2-NE 2.7Å; D22-R239 PolarHBondContact OD2-NE 3.29Å; D22-R239 IonicContact OD2-NH2 3.76Å
23S98.5Very high96.3Very high4 Ų428 Ų283%0.02814%0.144CC..EExtended strand (participates in β ladder)trans-129140.7-175.3-53.10000111.2K55 L235 R239 C240 L241S23-K55 CarbonylContact C-O 3.22Å; S23-K55 VanDerWaalsContact CA-O 3.24Å; S23-K55 WeakPolarHBondContact CA-O 3.23Å; S23-L235 WeakPolarHBondContact OG-CD2 3.42Å; S23-R239 PolarHBondContact N-O 3.33Å; S23-C240 WeakPolarHBondContact O-CA 3.33Å; S23-L241 PolarHBondContact O-N 3.47Å
24V98.7Very high96.2Very high1 Ų133 Ų331%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-128.2123.6179-167.30000109.2V21 F26 K55 V56 F57 L241 V243V21-V24 HydrophobicContact CG2-CG2 4.44Å; V24-F26 HydrophobicContact CB-CD2 4.29Å; V24-F26 HydrophobicContact CB-CE2 3.7Å; V24-F26 HydrophobicContact CB-CZ 4.36Å; V24-F26 HydrophobicContact CG1-CD2 3.74Å; V24-F26 HydrophobicContact CG1-CE1 4.28Å; V24-F26 HydrophobicContact CG1-CE2 3.18Å; V24-F26 HydrophobicContact CG1-CG 4.49Å; V24-F26 HydrophobicContact CG1-CZ 3.49Å; V24-F26 VanDerWaalsContact CG1-CZ 3.49Å; V24-K55 PolarHBondContact N-O 3.02Å; V24-V56 WeakPolarHBondContact O-CA 3.44Å; V24-F57 PolarHBondContact O-N 3.36Å; V24-L241 CarbonylContact C-O 3.51Å; V24-L241 WeakPolarHBondContact CA-O 3.48Å; V24-L241 HydrophobicContact CG1-CB 4.17Å; V24-L241 HydrophobicContact CG1-CD2 3.99Å; V24-L241 HydrophobicContact CG1-CG 4.34Å; V24-L241 HydrophobicContact CG2-CB 4.44Å; V24-V243 HydrophobicContact CG1-CG2 3.61Å
25L98.7Very high95.8Very high0 Ų034.2 Ų34.20%018%0.176CC..EExtended strand (participates in β ladder)trans-100.5120.8173.3-78.267.2000107.2F57 V59 Y226 L235 L241 M242 V243L25-F57 CarbonylContact C-O 3.57Å; L25-F57 WeakPolarHBondContact CA-O 3.45Å; L25-F57 HydrophobicContact CD1-CD2 4.14Å; L25-F57 HydrophobicContact CG-CB 4.28Å; L25-V59 HydrophobicContact CB-CG2 3.99Å; L25-V59 HydrophobicContact CD2-CG1 4.11Å; L25-V59 HydrophobicContact CG-CG1 4.36Å; L25-Y226 HydrophobicContact CD2-CD2 3.93Å; L25-L235 HydrophobicContact CD1-CD1 4.22Å; L25-L241 PolarHBondContact N-O 3.18Å; L25-M242 HydrophobicContact CB-SD 3.75Å; L25-V243 PolarHBondContact O-N 3.27Å
26F98.8Very high95.5Very high0 Ų034 Ų340%018%0.18CC..EExtended strand (participates in β ladder)trans-106.1130.1175.6-71.9-90.7000109.7V24 V31 I32 I46 L49 V56 F57 F58 V59 V243 I297V24-F26 HydrophobicContact CB-CD2 4.29Å; V24-F26 HydrophobicContact CB-CE2 3.7Å; V24-F26 HydrophobicContact CB-CZ 4.36Å; V24-F26 HydrophobicContact CG1-CD2 3.74Å; V24-F26 HydrophobicContact CG1-CE1 4.28Å; V24-F26 HydrophobicContact CG1-CE2 3.18Å; V24-F26 HydrophobicContact CG1-CG 4.49Å; V24-F26 HydrophobicContact CG1-CZ 3.49Å; V24-F26 VanDerWaalsContact CG1-CZ 3.49Å; F26-V31 HydrophobicContact CD1-CG1 4Å; F26-I32 HydrophobicContact CB-CG2 4.4Å; F26-I32 HydrophobicContact CD1-CG2 4.29Å; F26-I46 HydrophobicContact CD1-CD1 4.19Å; F26-I46 HydrophobicContact CD2-CD1 3.49Å; F26-I46 VanDerWaalsContact CD2-CD1 3.49Å; F26-I46 HydrophobicContact CE1-CD1 4.08Å; F26-I46 HydrophobicContact CE2-CD1 3.33Å; F26-I46 HydrophobicContact CG-CD1 3.91Å; F26-I46 HydrophobicContact CZ-CD1 3.66Å; F26-L49 HydrophobicContact CE2-CD1 3.81Å; F26-L49 HydrophobicContact CZ-CD1 3.6Å; F26-V56 HydrophobicContact CD2-CG1 3.83Å; F26-V56 HydrophobicContact CE2-CG1 3.97Å; F26-F57 PolarHBondContact N-O 3.03Å; F26-F58 HydrophobicContact CB-CD1 4.42Å; F26-F58 CarbonylContact O-C 3.55Å; F26-F58 WeakPolarHBondContact O-CA 3.36Å; F26-V59 VanDerWaalsContact O-CG2 3.29Å; F26-V59 WeakPolarHBondContact O-CG2 3.49Å; F26-V59 PolarHBondContact O-N 3.29Å; F26-V243 HydrophobicContact CD1-CB 3.59Å; F26-V243 HydrophobicContact CD1-CG1 3.8Å; F26-V243 HydrophobicContact CD1-CG2 3.95Å; F26-V243 HydrophobicContact CE1-CB 3.81Å; F26-V243 HydrophobicContact CE1-CG1 3.84Å; F26-V243 HydrophobicContact CE1-CG2 3.71Å; F26-V243 HydrophobicContact CG-CB 4.29Å; F26-V243 HydrophobicContact CZ-CG2 4.15Å; F26-I297 HydrophobicContact CD1-CD1 4.36Å; F26-I297 HydrophobicContact CE1-CD1 4.04Å; F26-I297 HydrophobicContact CE1-CG2 4.24Å
27D98.1Very high95.4Very high11 Ų1134.2 Ų34.26%0.05918%0.181CC..  trans-60.5161.9152.5-179.558.7000110.9D29 V31 V59 K220 M242 V243D27-D29 PolarHBondContact OD2-N 3.4Å; D27-V31 HydrophobicContact CB-CG2 3.86Å; D27-V31 WeakPolarHBondContact O-CB 3.4Å; D27-V59 WeakPolarHBondContact CA-O 3.46Å; D27-K220 IonicContact OD1-NZ 2.66Å; D27-K220 PolarHBondContact OD1-NZ 3.34Å; D27-M242 HydrophobicContact CB-CE 4.25Å; D27-V243 PolarHBondContact N-O 2.87Å
28C96.5Very high95.4Very high0 Ų035.7 Ų35.70%019%0.193CC..SBendtrans-98.5-67.1-175.1-69.30000113.1G30 V31 I32 W33C28-G30 PolarHBondContact O-N 3.15Å; C28-V31 PolarHBondContact O-N 2.81Å; C28-I32 HydrophobicContact CB-CD1 4.46Å; C28-I32 HydrophobicContact CB-CG1 4.47Å; C28-I32 WeakPolarHBondContact O-CG1 3.29Å; C28-I32 PolarHBondContact O-N 3.44Å; C28-W33 HydrophobicContact CB-CH2 3.64Å; C28-W33 HydrophobicContact CB-CZ2 3.41Å; C28-W33 VanDerWaalsContact CB-CZ2 3.41Å; C28-W33 HydrophobicContact CB-CZ3 4.32Å; C28-W33 PolarHBondContact O-N 2.89Å
29D92.9Very high95.4Very high51 Ų5135.6 Ų35.627%0.27319%0.193SC..BIsolated β-bridgetrans-81110.5-166.5-70.4-70.7000109.7D27 W33D27-D29 PolarHBondContact OD2-N 3.4Å; D29-W33 PolarHBondContact OD1-NE1 3.45Å
30G92.2Very high95.5Very high8 Ų836.3 Ų36.38%0.08220%0.203CC..THydrogen-bonded Turntrans97.1-6.6-173.800000113.8C28 W33 T266 G267C28-G30 PolarHBondContact O-N 3.15Å; G30-W33 PolarHBondContact N-O 3.48Å; G30-T266 CarbonylContact O-C 3.51Å; G30-T266 WeakPolarHBondContact O-CB 3.46Å; G30-T266 PolarHBondContact O-OG1 3.2Å; G30-G267 PolarHBondContact O-N 2.89Å
31V96.9Very high95.6Very high0 Ų035.5 Ų35.50%020%0.2CC..THydrogen-bonded Turntrans-115.2-54.8-179.1178.90000113F26 D27 C28 I39 V243 D245 T264 I297F26-V31 HydrophobicContact CD1-CG1 4Å; D27-V31 HydrophobicContact CB-CG2 3.86Å; D27-V31 WeakPolarHBondContact O-CB 3.4Å; C28-V31 PolarHBondContact O-N 2.81Å; V31-I39 WeakPolarHBondContact O-CD1 3.26Å; V31-V243 HydrophobicContact CG1-CG1 4.05Å; V31-D245 HydrophobicContact CG2-CB 3.86Å; V31-T264 HydrophobicContact CB-CG2 4.16Å; V31-T264 HydrophobicContact CG1-CG2 4.03Å; V31-T264 HydrophobicContact CG2-CG2 3.79Å; V31-I297 HydrophobicContact CG1-CG2 4.23Å
32I97.4Very high95.6Very high0 Ų035.5 Ų35.50%020%0.2CC..THydrogen-bonded Turntrans-106.1-20.817854.8169.1000112.3F26 C28 I39 A42 I46 F58 M74 F79 I297F26-I32 HydrophobicContact CB-CG2 4.4Å; F26-I32 HydrophobicContact CD1-CG2 4.29Å; C28-I32 HydrophobicContact CB-CD1 4.46Å; C28-I32 HydrophobicContact CB-CG1 4.47Å; C28-I32 WeakPolarHBondContact O-CG1 3.29Å; C28-I32 PolarHBondContact O-N 3.44Å; I32-I39 PolarHBondContact O-N 3.04Å; I32-A42 HydrophobicContact CB-CB 4.37Å; I32-I46 HydrophobicContact CG2-CD1 4.3Å; I32-I46 HydrophobicContact CG2-CG1 4.36Å; I32-F58 HydrophobicContact CD1-CD1 3.67Å; I32-F58 HydrophobicContact CD1-CE1 3.89Å; I32-M74 HydrophobicContact CD1-CE 4.22Å; I32-F79 HydrophobicContact CB-CE1 3.94Å; I32-F79 HydrophobicContact CB-CZ 3.85Å; I32-F79 HydrophobicContact CG2-CE1 4.29Å; I32-F79 WeakPolarHBondContact O-CZ 3.44Å; I32-I297 HydrophobicContact CG2-CD1 3.81Å
33W95.1Very high95.6Very high0 Ų033.1 Ų33.10%019%0.189CC..EExtended strand (participates in β ladder)trans-149.1166.4174.163.566.6000112.6C28 D29 G30 G35 Q37 Y70 M74 M77C28-W33 HydrophobicContact CB-CH2 3.64Å; C28-W33 HydrophobicContact CB-CZ2 3.41Å; C28-W33 VanDerWaalsContact CB-CZ2 3.41Å; C28-W33 HydrophobicContact CB-CZ3 4.32Å; C28-W33 PolarHBondContact O-N 2.89Å; D29-W33 PolarHBondContact OD1-NE1 3.45Å; G30-W33 PolarHBondContact N-O 3.48Å; W33-G35 VanDerWaalsContact CD1-O 3.27Å; W33-Q37 CarbonylContact C-O 3.53Å; W33-Q37 VanDerWaalsContact CA-O 3.23Å; W33-Q37 WeakPolarHBondContact CA-O 3.31Å; W33-Q37 WeakPolarHBondContact CB-O 3.4Å; W33-Y70 AromaticContact CH2-CD1 3.96Å; W33-Y70 HydrophobicContact CH2-CD1 3.96Å; W33-Y70 HydrophobicContact CH2-CE1 4.33Å; W33-Y70 HydrophobicContact CZ2-CD1 4.12Å; W33-Y70 HydrophobicContact CZ2-CE1 4.03Å; W33-M74 HydrophobicContact CH2-CE 3.53Å; W33-M74 HydrophobicContact CH2-CG 4.22Å; W33-M74 HydrophobicContact CZ3-CE 3.54Å; W33-M74 HydrophobicContact CZ3-CG 3.56Å; W33-M74 HydrophobicContact CZ3-SD 4.34Å; W33-M77 HydrophobicContact CB-CE 4.19Å; W33-M77 HydrophobicContact CB-SD 3.97Å; W33-M77 HydrophobicContact CD2-CE 3.75Å; W33-M77 HydrophobicContact CE3-CE 3.25Å; W33-M77 HydrophobicContact CE3-SD 4.48Å; W33-M77 HydrophobicContact CG-CE 4.18Å; W33-M77 HydrophobicContact CG-SD 4.43Å; W33-M77 HydrophobicContact CZ3-CE 3.83Å
34R90.5Very high95.6Very high144 Ų14437.3 Ų37.354%0.54321%0.21SC..EExtended strand (participates in β ladder)trans-126.7117.7163.9-67.5-176.7179.1-175.63.1108.1D36 Q37 I39 T266R34-D36 PolarHBondContact O-N 2.98Å; R34-Q37 PolarHBondContact N-O 3.48Å; R34-Q37 PolarHBondContact O-N 2.98Å; R34-Q37 VanDerWaalsContact O-N 3.07Å; R34-I39 HydrophobicContact CG-CD1 4.43Å; R34-I39 HydrophobicContact CG-CG1 4.39Å; R34-T266 PolarHBondContact NE-O 3.35Å; R34-T266 VanDerWaalsContact NH2-C 3.34Å; R34-T266 PolarHBondContact NH2-O 3.08Å
35G86.8Confident95.6Very high36 Ų3637.2 Ų37.237%0.37121%0.21SC..THydrogen-bonded Turntrans58.9-122.3-171.800000110.2W33 K73W33-G35 VanDerWaalsContact CD1-O 3.27Å; G35-K73 PolarHBondContact O-NZ 2.85Å
36D88.3Confident95.6Very high116 Ų11637.2 Ų37.262%0.6221%0.21SC*.THydrogen-bonded Turntrans-104.116.1179-63.1-41.3000113.5R34 K73R34-D36 PolarHBondContact O-N 2.98Å; D36-K73 WeakPolarHBondContact OD1-CE 3.47Å; D36-K73 IonicContact OD1-NZ 2.87Å; D36-K73 PolarHBondContact OD1-NZ 2.91Å
37Q91.8Very high95.6Very high136 Ų13639.5 Ų39.564%0.63622%0.222SC*.EExtended strand (participates in β ladder)trans-112126.2177.3-63.2-60.4-36.500110.6W33 R34W33-Q37 CarbonylContact C-O 3.53Å; W33-Q37 VanDerWaalsContact CA-O 3.23Å; W33-Q37 WeakPolarHBondContact CA-O 3.31Å; W33-Q37 WeakPolarHBondContact CB-O 3.4Å; R34-Q37 PolarHBondContact N-O 3.48Å; R34-Q37 PolarHBondContact O-N 2.98Å; R34-Q37 VanDerWaalsContact O-N 3.07Å
38A97.1Very high95.6Very high32 Ų3240.4 Ų40.426%0.26423%0.227SC..EExtended strand (participates in β ladder)trans-60.4143172.200000110.6P43 M77 F79A38-P43 HydrophobicContact CB-CG 3.92Å; A38-M77 HydrophobicContact CB-CB 4.23Å; A38-F79 HydrophobicContact CB-CE2 4.03Å; A38-F79 HydrophobicContact CB-CZ 4.2Å
39I96.6Very high95.7Very high7 Ų740.5 Ų40.54%0.03623%0.227CC..PPolyproline II helixtrans-65.6131.9166.4-77.5165.4000107.6V31 I32 R34 G41 A42 T266V31-I39 WeakPolarHBondContact O-CD1 3.26Å; I32-I39 PolarHBondContact O-N 3.04Å; R34-I39 HydrophobicContact CG-CD1 4.43Å; R34-I39 HydrophobicContact CG-CG1 4.39Å; I39-G41 PolarHBondContact O-N 3.39Å; I39-A42 HydrophobicContact CB-CB 4.07Å; I39-A42 HydrophobicContact CG2-CB 4.38Å; I39-A42 WeakPolarHBondContact O-CB 3.35Å; I39-A42 PolarHBondContact O-N 3.02Å; I39-T266 HydrophobicContact CD1-CG2 4.23Å; I39-T266 HydrophobicContact CG2-CG2 4.19Å
40P97.8Very high95.9Very high112 Ų11240.1 Ų40.173%0.72722%0.223SC*.THydrogen-bonded Turntrans-52.4128.9-178.9-29.235.9000112.2A42 A298P40-A42 PolarHBondContact O-N 3.32Å; P40-A298 WeakPolarHBondContact O-CB 3.28Å
41G98Very high96.2Very high18 Ų1848 Ų4819%0.18626%0.255CS..THydrogen-bonded Turntrans79.6-11.9-177.600000115.6I39 D44 V45I39-G41 PolarHBondContact O-N 3.39Å; G41-D44 PolarHBondContact O-N 3.26Å; G41-V45 WeakPolarHBondContact O-CG2 3.34Å; G41-V45 PolarHBondContact O-N 3.32Å
42A98.3Very high96.2Very high0 Ų051.9 Ų51.90%028%0.276CS..Hα-helixtrans-59.8-45.117900000113.4I32 I39 P40 D44 V45 I46 F79 I297I32-A42 HydrophobicContact CB-CB 4.37Å; I39-A42 HydrophobicContact CB-CB 4.07Å; I39-A42 HydrophobicContact CG2-CB 4.38Å; I39-A42 WeakPolarHBondContact O-CB 3.35Å; I39-A42 PolarHBondContact O-N 3.02Å; P40-A42 PolarHBondContact O-N 3.32Å; A42-D44 VanDerWaalsContact C-N 3.31Å; A42-D44 PolarHBondContact O-N 2.85Å; A42-V45 PolarHBondContact O-N 2.85Å; A42-I46 VanDerWaalsContact O-CG1 3.32Å; A42-I46 WeakPolarHBondContact O-CG1 3.45Å; A42-I46 PolarHBondContact O-N 3.09Å; A42-I46 VanDerWaalsContact O-N 3.07Å; A42-F79 HydrophobicContact CB-CE1 3.99Å; A42-F79 HydrophobicContact CB-CZ 3.97Å; A42-I297 HydrophobicContact CB-CD1 3.74Å; A42-I297 HydrophobicContact CB-CG1 4.18Å
43P98.5Very high96.2Very high20 Ų2054.9 Ų54.913%0.1331%0.307CS..Hα-helixtrans-58.1-43.4176.2-2535000112.6A38 V45 I46 N47 M77 F79A38-P43 HydrophobicContact CB-CG 3.92Å; P43-V45 PolarHBondContact O-N 2.95Å; P43-I46 PolarHBondContact O-N 3.47Å; P43-N47 VanDerWaalsContact O-CB 3.27Å; P43-N47 WeakPolarHBondContact O-CB 3.44Å; P43-N47 PolarHBondContact O-N 2.96Å; P43-N47 PolarHBondContact O-ND2 3.25Å; P43-N47 VanDerWaalsContact O-ND2 3.15Å; P43-M77 VanDerWaalsContact CG-O 3.27Å; P43-M77 WeakPolarHBondContact CG-O 3.24Å; P43-F79 HydrophobicContact CB-CD1 4.23Å; P43-F79 HydrophobicContact CB-CE1 4.2Å; P43-F79 HydrophobicContact CB-CG 4.48Å; P43-F79 HydrophobicContact CB-CZ 4.42Å; P43-F79 HydrophobicContact CG-CD1 4.38Å; P43-F79 HydrophobicContact CG-CD2 4.39Å; P43-F79 HydrophobicContact CG-CE1 3.96Å; P43-F79 HydrophobicContact CG-CE2 3.97Å; P43-F79 HydrophobicContact CG-CZ 3.72Å
44D98.6Very high96.3Very high91 Ų9156.6 Ų56.649%0.48732%0.315SS..Hα-helixtrans-63.8-43-179.9-64.2-37.6000111.8G41 A42 N47 L48 L301G41-D44 PolarHBondContact O-N 3.26Å; A42-D44 VanDerWaalsContact C-N 3.31Å; A42-D44 PolarHBondContact O-N 2.85Å; D44-N47 PolarHBondContact O-N 3.49Å; D44-L48 VanDerWaalsContact O-CB 3.26Å; D44-L48 WeakPolarHBondContact O-CB 3.32Å; D44-L48 VanDerWaalsContact O-CG 3.27Å; D44-L48 WeakPolarHBondContact O-CG 3.48Å; D44-L48 PolarHBondContact O-N 3.34Å; D44-L301 HydrophobicContact CB-CD2 3.71Å
45V98.5Very high96.7Very high0 Ų054.3 Ų54.30%031%0.309CS..Hα-helixtrans-58.5-52.2175.9170.50000110.7G41 A42 P43 N47 L48 L49 I297 L300 L301 L304G41-V45 WeakPolarHBondContact O-CG2 3.34Å; G41-V45 PolarHBondContact O-N 3.32Å; A42-V45 PolarHBondContact O-N 2.85Å; P43-V45 PolarHBondContact O-N 2.95Å; V45-N47 VanDerWaalsContact C-N 3.35Å; V45-N47 PolarHBondContact O-N 3.2Å; V45-L48 PolarHBondContact O-N 3.21Å; V45-L49 HydrophobicContact CG1-CD1 3.87Å; V45-L49 HydrophobicContact CG1-CG 4.44Å; V45-L49 WeakPolarHBondContact O-CB 3.26Å; V45-L49 VanDerWaalsContact O-CG 3.28Å; V45-L49 WeakPolarHBondContact O-CG 3.44Å; V45-L49 PolarHBondContact O-N 3.15Å; V45-I297 VanDerWaalsContact CG2-O 3.28Å; V45-I297 WeakPolarHBondContact CG2-O 3.27Å; V45-L300 HydrophobicContact CG1-CB 4.29Å; V45-L300 HydrophobicContact CG1-CD1 4.09Å; V45-L301 HydrophobicContact CB-CD2 4.41Å; V45-L301 HydrophobicContact CG2-CD1 4.41Å; V45-L301 HydrophobicContact CG2-CD2 3.59Å; V45-L301 HydrophobicContact CG2-CG 3.59Å; V45-L304 HydrophobicContact CG1-CD1 4.2Å
46I98.5Very high97.3Very high0 Ų052.7 Ų52.70%029%0.292CS..Hα-helixtrans-60.5-47.4-178.6-66.9-63.7000110.5F26 I32 A42 P43 L48 L49 K50 V56 F58 F79F26-I46 HydrophobicContact CD1-CD1 4.19Å; F26-I46 HydrophobicContact CD2-CD1 3.49Å; F26-I46 VanDerWaalsContact CD2-CD1 3.49Å; F26-I46 HydrophobicContact CE1-CD1 4.08Å; F26-I46 HydrophobicContact CE2-CD1 3.33Å; F26-I46 HydrophobicContact CG-CD1 3.91Å; F26-I46 HydrophobicContact CZ-CD1 3.66Å; I32-I46 HydrophobicContact CG2-CD1 4.3Å; I32-I46 HydrophobicContact CG2-CG1 4.36Å; A42-I46 VanDerWaalsContact O-CG1 3.32Å; A42-I46 WeakPolarHBondContact O-CG1 3.45Å; A42-I46 PolarHBondContact O-N 3.09Å; A42-I46 VanDerWaalsContact O-N 3.07Å; P43-I46 PolarHBondContact O-N 3.47Å; I46-L48 PolarHBondContact O-N 3.31Å; I46-L49 PolarHBondContact O-N 3.01Å; I46-K50 HydrophobicContact CG2-CD 4.49Å; I46-K50 WeakPolarHBondContact O-CG 3.47Å; I46-K50 PolarHBondContact O-N 3.32Å; I46-K50 VanDerWaalsContact O-N 3.12Å; I46-V56 HydrophobicContact CD1-CG1 3.99Å; I46-V56 HydrophobicContact CG2-CG1 4.28Å; I46-F58 HydrophobicContact CD1-CE1 4.11Å; I46-F58 HydrophobicContact CG1-CE1 4.44Å; I46-F58 HydrophobicContact CG2-CE1 4.26Å; I46-F58 HydrophobicContact CG2-CZ 3.84Å; I46-F79 HydrophobicContact CB-CD1 3.96Å; I46-F79 HydrophobicContact CB-CE1 4.41Å; I46-F79 HydrophobicContact CG1-CD1 3.84Å; I46-F79 HydrophobicContact CG1-CE1 3.88Å; I46-F79 HydrophobicContact CG2-CD1 4.13Å
47N98.6Very high97.8Very high47 Ų4747.3 Ų47.325%0.25126%0.263SS..Hα-helixtrans-65.5-39.8-178.1-66.8-19.5000111.6P43 D44 V45 K50 K51 G78 N80P43-N47 VanDerWaalsContact O-CB 3.27Å; P43-N47 WeakPolarHBondContact O-CB 3.44Å; P43-N47 PolarHBondContact O-N 2.96Å; P43-N47 PolarHBondContact O-ND2 3.25Å; P43-N47 VanDerWaalsContact O-ND2 3.15Å; D44-N47 PolarHBondContact O-N 3.49Å; V45-N47 VanDerWaalsContact C-N 3.35Å; V45-N47 PolarHBondContact O-N 3.2Å; N47-K50 PolarHBondContact O-N 2.97Å; N47-K51 WeakPolarHBondContact O-CB 3.16Å; N47-K51 PolarHBondContact O-N 2.86Å; N47-G78 PolarHBondContact ND2-O 3.48Å; N47-N80 WeakPolarHBondContact OD1-CB 3.47Å; N47-N80 PolarHBondContact OD1-N 2.99Å
48L98.4Very high98.1Very high31 Ų3140.9 Ų40.916%0.16223%0.233CC..Hα-helixtrans-70.3-38.1176.5-75171.1000112.7D44 V45 I46 K50 K51 N52 L301 L304 Q305D44-L48 VanDerWaalsContact O-CB 3.26Å; D44-L48 WeakPolarHBondContact O-CB 3.32Å; D44-L48 VanDerWaalsContact O-CG 3.27Å; D44-L48 WeakPolarHBondContact O-CG 3.48Å; D44-L48 PolarHBondContact O-N 3.34Å; V45-L48 PolarHBondContact O-N 3.21Å; I46-L48 PolarHBondContact O-N 3.31Å; L48-K50 VanDerWaalsContact C-N 3.31Å; L48-K50 PolarHBondContact O-N 3.18Å; L48-K51 HydrophobicContact CD2-CD 4.3Å; L48-K51 PolarHBondContact O-N 3.38Å; L48-N52 VanDerWaalsContact O-CB 3.31Å; L48-N52 WeakPolarHBondContact O-CB 3.39Å; L48-N52 VanDerWaalsContact O-CG 3.23Å; L48-N52 PolarHBondContact O-N 3.47Å; L48-L301 HydrophobicContact CD1-CD2 3.86Å; L48-L304 HydrophobicContact CB-CB 4.05Å; L48-L304 HydrophobicContact CB-CD1 4.18Å; L48-L304 HydrophobicContact CD1-CB 4.14Å; L48-Q305 HydrophobicContact CD1-CG 3.79Å
49L98.4Very high98.1Very high1 Ų139.3 Ų39.31%0.00522%0.22CC..Hα-helixtrans-56.7-48.2172.9-77.7167.6000110.8L18 F26 V45 I46 N52 G53 K54 V56 L304L18-L49 HydrophobicContact CD2-CD2 3.84Å; F26-L49 HydrophobicContact CE2-CD1 3.81Å; F26-L49 HydrophobicContact CZ-CD1 3.6Å; V45-L49 HydrophobicContact CG1-CD1 3.87Å; V45-L49 HydrophobicContact CG1-CG 4.44Å; V45-L49 WeakPolarHBondContact O-CB 3.26Å; V45-L49 VanDerWaalsContact O-CG 3.28Å; V45-L49 WeakPolarHBondContact O-CG 3.44Å; V45-L49 PolarHBondContact O-N 3.15Å; I46-L49 PolarHBondContact O-N 3.01Å; L49-N52 CarbonylContact O-C 3.51Å; L49-N52 PolarHBondContact O-N 3.32Å; L49-G53 PolarHBondContact O-N 2.8Å; L49-K54 HydrophobicContact CB-CB 4.27Å; L49-K54 HydrophobicContact CB-CG 4.45Å; L49-K54 HydrophobicContact CD2-CB 4.48Å; L49-K54 HydrophobicContact CD2-CG 3.96Å; L49-K54 VanDerWaalsContact O-CB 3.29Å; L49-K54 WeakPolarHBondContact O-CB 3.37Å; L49-K54 WeakPolarHBondContact O-CG 3.43Å; L49-K54 PolarHBondContact O-N 3.07Å; L49-V56 HydrophobicContact CB-CG2 3.91Å; L49-L304 HydrophobicContact CD2-CD1 4.22Å; L49-L304 HydrophobicContact CD2-CD2 3.78Å; L49-L304 HydrophobicContact CG-CD1 3.99Å; L49-L304 HydrophobicContact CG-CD2 4.25Å
50K98.1Very high98.1Very high44 Ų4439 Ų3919%0.19122%0.219CC..Hα-helixtrans-64-43.9177.2-65.6-177.274.3171.60111.8I46 N47 L48 N52 G53 V56 N80 E85I46-K50 HydrophobicContact CG2-CD 4.49Å; I46-K50 WeakPolarHBondContact O-CG 3.47Å; I46-K50 PolarHBondContact O-N 3.32Å; I46-K50 VanDerWaalsContact O-N 3.12Å; N47-K50 PolarHBondContact O-N 2.97Å; L48-K50 VanDerWaalsContact C-N 3.31Å; L48-K50 PolarHBondContact O-N 3.18Å; K50-N52 PolarHBondContact O-N 2.86Å; K50-G53 PolarHBondContact O-N 2.9Å; K50-V56 HydrophobicContact CD-CB 4.26Å; K50-V56 HydrophobicContact CD-CG2 4.49Å; K50-V56 HydrophobicContact CG-CB 3.92Å; K50-V56 HydrophobicContact CG-CG2 3.65Å; K50-N80 PolarHBondContact NZ-O 3.37Å; K50-E85 WeakPolarHBondContact CE-OE1 3.23Å; K50-E85 IonicContact NZ-OE1 2.71Å; K50-E85 PolarHBondContact NZ-OE1 2.98Å; K50-E85 IonicContact NZ-OE2 3.87Å; K50-E85 PolarHBondContact NZ-OE2 3.2Å
51K97.9Very high98Very high172 Ų17234.2 Ų34.275%0.74819%0.187SC*.Hα-helixtrans-59.1-35.6175.7-173.6-177.3177.4-174.50112.1N47 L48 G53N47-K51 WeakPolarHBondContact O-CB 3.16Å; N47-K51 PolarHBondContact O-N 2.86Å; L48-K51 HydrophobicContact CD2-CD 4.3Å; L48-K51 PolarHBondContact O-N 3.38Å; K51-G53 PolarHBondContact O-N 2.85Å
52N97.1Very high97.8Very high82 Ų8234.7 Ų34.744%0.43919%0.185SC..THydrogen-bonded Turntrans-85.216.6177.8-65.6-5.5000112.8L48 L49 K50 K54 L304L48-N52 VanDerWaalsContact O-CB 3.31Å; L48-N52 WeakPolarHBondContact O-CB 3.39Å; L48-N52 VanDerWaalsContact O-CG 3.23Å; L48-N52 PolarHBondContact O-N 3.47Å; L49-N52 CarbonylContact O-C 3.51Å; L49-N52 PolarHBondContact O-N 3.32Å; K50-N52 PolarHBondContact O-N 2.86Å; N52-K54 PolarHBondContact O-N 3.47Å; N52-L304 PolarHBondContact ND2-O 2.82Å
53G97.1Very high97.6Very high64 Ų6434.7 Ų34.766%0.6619%0.185SC*.THydrogen-bonded Turntrans81.68.3171.400000115.5L49 K50 K51L49-G53 PolarHBondContact O-N 2.8Å; K50-G53 PolarHBondContact O-N 2.9Å; K51-G53 PolarHBondContact O-N 2.85Å
54K98.1Very high97.4Very high35 Ų3535.7 Ų35.715%0.15219%0.191CC..  trans-76.9140.4174.6-52.6-58.9-175.4-177.80110.4L18 V21 D22 L49 N52L18-K54 WeakPolarHBondContact O-CE 3.43Å; L18-K54 PolarHBondContact O-NZ 3.08Å; V21-K54 WeakPolarHBondContact O-CE 3.41Å; V21-K54 PolarHBondContact O-NZ 3.28Å; D22-K54 WeakPolarHBondContact O-CA 3.22Å; L49-K54 HydrophobicContact CB-CB 4.27Å; L49-K54 HydrophobicContact CB-CG 4.45Å; L49-K54 HydrophobicContact CD2-CB 4.48Å; L49-K54 HydrophobicContact CD2-CG 3.96Å; L49-K54 VanDerWaalsContact O-CB 3.29Å; L49-K54 WeakPolarHBondContact O-CB 3.37Å; L49-K54 WeakPolarHBondContact O-CG 3.43Å; L49-K54 PolarHBondContact O-N 3.07Å; N52-K54 PolarHBondContact O-N 3.47Å
55K98.4Very high97.3Very high96 Ų9634 Ų3442%0.41718%0.179SC..EExtended strand (participates in β ladder)trans-78.6127.7167.3-62.9178.9179175.40108.6D22 S23 V24 F57 F233 L235D22-K55 PolarHBondContact O-N 3.08Å; S23-K55 CarbonylContact C-O 3.22Å; S23-K55 VanDerWaalsContact CA-O 3.24Å; S23-K55 WeakPolarHBondContact CA-O 3.23Å; V24-K55 PolarHBondContact N-O 3.02Å; K55-F57 HydrophobicContact CB-CE2 3.67Å; K55-F57 HydrophobicContact CB-CZ 3.97Å; K55-F57 HydrophobicContact CD-CZ 4.42Å; K55-F233 PolarHBondContact NZ-O 2.78Å; K55-L235 HydrophobicContact CD-CD2 3.9Å
56V98.6Very high97.3Very high2 Ų234.5 Ų34.51%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-120.6130.3-177.7178.90000109.5V24 F26 I46 L49 K50 F58V24-V56 WeakPolarHBondContact O-CA 3.44Å; F26-V56 HydrophobicContact CD2-CG1 3.83Å; F26-V56 HydrophobicContact CE2-CG1 3.97Å; I46-V56 HydrophobicContact CD1-CG1 3.99Å; I46-V56 HydrophobicContact CG2-CG1 4.28Å; L49-V56 HydrophobicContact CB-CG2 3.91Å; K50-V56 HydrophobicContact CD-CB 4.26Å; K50-V56 HydrophobicContact CD-CG2 4.49Å; K50-V56 HydrophobicContact CG-CB 3.92Å; K50-V56 HydrophobicContact CG-CG2 3.65Å; V56-F58 HydrophobicContact CG1-CE1 4.34Å; V56-F58 HydrophobicContact CG1-CZ 4.08Å
57F98.7Very high97.2Very high4 Ų435.1 Ų35.12%0.01818%0.184CC..EExtended strand (participates in β ladder)trans-130147.8179.6-56-75.9000110.5V24 L25 F26 K55 E85 F87 V229 F233 L235V24-F57 PolarHBondContact O-N 3.36Å; L25-F57 CarbonylContact C-O 3.57Å; L25-F57 WeakPolarHBondContact CA-O 3.45Å; L25-F57 HydrophobicContact CD1-CD2 4.14Å; L25-F57 HydrophobicContact CG-CB 4.28Å; F26-F57 PolarHBondContact N-O 3.03Å; K55-F57 HydrophobicContact CB-CE2 3.67Å; K55-F57 HydrophobicContact CB-CZ 3.97Å; K55-F57 HydrophobicContact CD-CZ 4.42Å; F57-E85 CarbonylContact C-O 3.52Å; F57-E85 WeakPolarHBondContact CA-O 3.33Å; F57-F87 HydrophobicContact CD1-CE2 4.02Å; F57-V229 HydrophobicContact CB-CG1 4.15Å; F57-V229 HydrophobicContact CD1-CG1 3.71Å; F57-V229 HydrophobicContact CD2-CG1 3.58Å; F57-V229 HydrophobicContact CE1-CG1 3.96Å; F57-V229 HydrophobicContact CE2-CG1 3.83Å; F57-V229 HydrophobicContact CG-CG1 3.51Å; F57-V229 HydrophobicContact CZ-CG1 4Å; F57-F233 HydrophobicContact CD1-CD2 4.24Å; F57-F233 HydrophobicContact CD1-CE2 4.2Å; F57-F233 HydrophobicContact CE1-CB 4.34Å; F57-F233 HydrophobicContact CE1-CD1 4.01Å; F57-F233 AromaticContact CE1-CD2 3.33Å; F57-F233 HydrophobicContact CE1-CD2 3.33Å; F57-F233 HydrophobicContact CE1-CE1 4.13Å; F57-F233 AromaticContact CE1-CE2 3.46Å; F57-F233 HydrophobicContact CE1-CE2 3.46Å; F57-F233 VanDerWaalsContact CE1-CE2 3.46Å; F57-F233 AromaticContact CE1-CG 3.62Å; F57-F233 HydrophobicContact CE1-CG 3.62Å; F57-F233 AromaticContact CE1-CZ 3.87Å; F57-F233 HydrophobicContact CE1-CZ 3.87Å; F57-F233 HydrophobicContact CZ-CB 3.77Å; F57-F233 HydrophobicContact CZ-CD1 4.02Å; F57-F233 AromaticContact CZ-CD2 3.66Å; F57-F233 HydrophobicContact CZ-CD2 3.66Å; F57-F233 HydrophobicContact CZ-CE2 4.24Å; F57-F233 AromaticContact CZ-CG 3.53Å; F57-F233 HydrophobicContact CZ-CG 3.53Å; F57-L235 HydrophobicContact CD2-CD1 4.09Å; F57-L235 HydrophobicContact CE2-CD1 3.73Å; F57-L235 HydrophobicContact CE2-CD2 3.85Å; F57-L235 HydrophobicContact CE2-CG 4.36Å; F57-L235 HydrophobicContact CZ-CD2 4.21Å
58F98.5Very high97.2Very high0 Ų037.3 Ų37.30%019%0.192CC..EExtended strand (participates in β ladder)trans-113.1119.2-179.2-53.3-81.1000109.5F26 I32 I46 V56 M74 A81 E85 V86 F87F26-F58 HydrophobicContact CB-CD1 4.42Å; F26-F58 CarbonylContact O-C 3.55Å; F26-F58 WeakPolarHBondContact O-CA 3.36Å; I32-F58 HydrophobicContact CD1-CD1 3.67Å; I32-F58 HydrophobicContact CD1-CE1 3.89Å; I46-F58 HydrophobicContact CD1-CE1 4.11Å; I46-F58 HydrophobicContact CG1-CE1 4.44Å; I46-F58 HydrophobicContact CG2-CE1 4.26Å; I46-F58 HydrophobicContact CG2-CZ 3.84Å; V56-F58 HydrophobicContact CG1-CE1 4.34Å; V56-F58 HydrophobicContact CG1-CZ 4.08Å; F58-M74 HydrophobicContact CB-CE 3.53Å; F58-M74 HydrophobicContact CB-SD 4.48Å; F58-M74 HydrophobicContact CD1-CE 3.74Å; F58-M74 HydrophobicContact CD1-SD 4.06Å; F58-M74 HydrophobicContact CD2-CE 3.85Å; F58-M74 HydrophobicContact CD2-SD 3.66Å; F58-M74 HydrophobicContact CE1-CE 4.39Å; F58-M74 HydrophobicContact CE1-SD 4.16Å; F58-M74 HydrophobicContact CE2-SD 3.79Å; F58-M74 HydrophobicContact CG-CE 3.41Å; F58-M74 VanDerWaalsContact CG-CE 3.41Å; F58-M74 HydrophobicContact CG-SD 3.8Å; F58-M74 HydrophobicContact CZ-SD 4.02Å; F58-A81 HydrophobicContact CD2-CB 4.3Å; F58-A81 HydrophobicContact CE2-CB 3.48Å; F58-A81 VanDerWaalsContact CE2-CB 3.48Å; F58-A81 HydrophobicContact CZ-CB 3.92Å; F58-E85 HydrophobicContact CD2-CB 4.1Å; F58-E85 HydrophobicContact CE2-CB 4.19Å; F58-E85 PolarHBondContact N-O 3.05Å; F58-V86 HydrophobicContact CD2-CG2 4.26Å; F58-F87 PolarHBondContact O-N 3.48Å
59V97.8Very high97.1Very high0 Ų039.6 Ų39.60%020%0.202CC..EExtended strand (participates in β ladder)trans-120.6110-171.1-78.20000110.5L25 F26 D27 F87 K220 M225 V229 M242L25-V59 HydrophobicContact CB-CG2 3.99Å; L25-V59 HydrophobicContact CD2-CG1 4.11Å; L25-V59 HydrophobicContact CG-CG1 4.36Å; F26-V59 VanDerWaalsContact O-CG2 3.29Å; F26-V59 WeakPolarHBondContact O-CG2 3.49Å; F26-V59 PolarHBondContact O-N 3.29Å; D27-V59 WeakPolarHBondContact CA-O 3.46Å; V59-F87 WeakPolarHBondContact CA-O 3.27Å; V59-F87 HydrophobicContact CG1-CB 4.01Å; V59-K220 PolarHBondContact O-NZ 3.49Å; V59-M225 HydrophobicContact CB-CG 4.25Å; V59-M225 HydrophobicContact CB-SD 3.58Å; V59-M225 VanDerWaalsContact CB-SD 3.58Å; V59-M225 HydrophobicContact CG1-CG 3.95Å; V59-M225 HydrophobicContact CG1-SD 3.96Å; V59-V229 HydrophobicContact CG1-CG2 4.27Å; V59-M242 HydrophobicContact CG2-CE 3.74Å; V59-M242 HydrophobicContact CG2-SD 3.87Å
60T96.3Very high97.1Very high1 Ų139.7 Ų39.71%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-126.7137.6-173.2-178.30000113.1N62 Y70 F87 G88 T89 M225T60-N62 PolarHBondContact O-N 2.94Å; T60-N62 WeakPolarHBondContact OG1-CB 3.41Å; T60-N62 PolarHBondContact OG1-N 3.1Å; T60-N62 VanDerWaalsContact OG1-N 3.14Å; T60-Y70 HydrophobicContact CG2-CD2 4.41Å; T60-Y70 HydrophobicContact CG2-CE1 4.45Å; T60-Y70 HydrophobicContact CG2-CE2 3.79Å; T60-F87 PolarHBondContact N-O 3.23Å; T60-G88 WeakPolarHBondContact O-CA 3.34Å; T60-T89 PolarHBondContact O-N 3.49Å; T60-M225 VanDerWaalsContact O-CE 3.29Å; T60-M225 WeakPolarHBondContact O-CE 3.13Å
61N96.1Very high97.1Very high10 Ų1037.9 Ų37.95%0.05320%0.196CC..  trans-73.7-9.6171.7-89.9-0.8000113.4S63 T89 N184 D186 G219 K220N61-S63 PolarHBondContact O-N 3.47Å; N61-T89 HydrophobicContact CB-CG2 4.39Å; N61-T89 PolarHBondContact O-OG1 3.04Å; N61-N184 HydrophobicContact CB-CB 3.97Å; N61-N184 PolarHBondContact O-ND2 3.45Å; N61-D186 WeakPolarHBondContact CB-OD2 3.4Å; N61-D186 PolarHBondContact ND2-OD2 3.48Å; N61-G219 WeakPolarHBondContact OD1-CA 3.38Å; N61-K220 PolarHBondContact ND2-O 3.13Å; N61-K220 PolarHBondContact OD1-N 3.24Å
62N92.6Very high97Very high28 Ų2833.1 Ų33.115%0.1518%0.179CC..  trans-77.8120-176-174.6-18.7000111.8T60 T64 Y70T60-N62 PolarHBondContact O-N 2.94Å; T60-N62 WeakPolarHBondContact OG1-CB 3.41Å; T60-N62 PolarHBondContact OG1-N 3.1Å; T60-N62 VanDerWaalsContact OG1-N 3.14Å; N62-T64 VanDerWaalsContact OD1-CB 3.29Å; N62-T64 WeakPolarHBondContact OD1-CB 3.43Å; N62-T64 VanDerWaalsContact OD1-CG2 3.26Å; N62-T64 WeakPolarHBondContact OD1-CG2 3.34Å; N62-T64 PolarHBondContact OD1-N 3.03Å; N62-T64 PolarHBondContact OD1-OG1 3.25Å; N62-Y70 WeakPolarHBondContact CB-OH 3.43Å; N62-Y70 PolarHBondContact ND2-OH 2.92Å; N62-Y70 PolarHBondContact O-OH 3.28Å; N62-Y70 PolarHBondContact OD1-OH 2.87Å
63S94.3Very high97Very high1 Ų130.5 Ų30.51%0.00716%0.163CC..  trans-98.214.5-177.669.90000113.5N61 T89 S112 M115 F157N61-S63 PolarHBondContact O-N 3.47Å; S63-T89 WeakPolarHBondContact CB-OG1 3.18Å; S63-S112 PolarHBondContact O-OG 2.8Å; S63-M115 WeakPolarHBondContact O-CG 3.38Å; S63-F157 PolarHBondContact OG-N 3.37Å; S63-F157 VanDerWaalsContact OG-N 3.15Å
64T94.3Very high97Very high40 Ų4027.4 Ų27.425%0.24513%0.132CC..SBendtrans-87.3-13.5-174.363.90000114.3N62 A114 F157N62-T64 VanDerWaalsContact OD1-CB 3.29Å; N62-T64 WeakPolarHBondContact OD1-CB 3.43Å; N62-T64 VanDerWaalsContact OD1-CG2 3.26Å; N62-T64 WeakPolarHBondContact OD1-CG2 3.34Å; N62-T64 PolarHBondContact OD1-N 3.03Å; N62-T64 PolarHBondContact OD1-OG1 3.25Å; T64-A114 VanDerWaalsContact C-CB 3.47Å; T64-A114 VanDerWaalsContact O-CB 3.28Å; T64-A114 WeakPolarHBondContact O-CB 3.3Å; T64-F157 HydrophobicContact CG2-CB 4.36Å; T64-F157 HydrophobicContact CG2-CD1 3.62Å; T64-F157 HydrophobicContact CG2-CE1 4.3Å; T64-F157 HydrophobicContact CG2-CG 4.26Å
65K96.6Very high96.9Very high57 Ų5728.6 Ų28.625%0.24815%0.148CC..SBendtrans-131.8149.2-177-63.6-178.8179.463.80111.3M69 Y70 A114K65-M69 HydrophobicContact CB-CB 3.94Å; K65-M69 HydrophobicContact CB-CE 4.38Å; K65-M69 HydrophobicContact CG-CB 4.41Å; K65-M69 HydrophobicContact CG-CE 4.05Å; K65-Y70 HydrophobicContact CB-CD1 4.44Å; K65-Y70 HydrophobicContact CB-CD2 3.78Å; K65-Y70 HydrophobicContact CB-CE1 4.22Å; K65-Y70 HydrophobicContact CB-CE2 3.53Å; K65-Y70 HydrophobicContact CB-CG 4.21Å; K65-Y70 HydrophobicContact CD-CD1 4.17Å; K65-Y70 HydrophobicContact CD-CE1 3.92Å; K65-A114 VanDerWaalsContact C-CB 3.42Å
66T98.1Very high96.9Very high9 Ų931.5 Ų31.56%0.05517%0.167CC..  trans-74.7164.4171.3610000109.8K68 M69 Y70 A114 K117 E118T66-K68 VanDerWaalsContact C-N 3.27Å; T66-K68 PolarHBondContact O-N 2.97Å; T66-M69 HydrophobicContact CG2-SD 4.13Å; T66-M69 PolarHBondContact O-N 2.75Å; T66-M69 VanDerWaalsContact O-N 3.16Å; T66-M69 WeakPolarHBondContact OG1-CG 3.41Å; T66-M69 PolarHBondContact OG1-N 2.75Å; T66-M69 PolarHBondContact OG1-SD 3.39Å; T66-Y70 WeakPolarHBondContact O-CD2 3.43Å; T66-Y70 PolarHBondContact O-N 3.12Å; T66-Y70 VanDerWaalsContact O-N 3.08Å; T66-A114 HydrophobicContact CG2-CB 3.96Å; T66-K117 HydrophobicContact CG2-CB 3.88Å; T66-K117 HydrophobicContact CG2-CD 4.12Å; T66-E118 WeakPolarHBondContact CA-OE1 3.48Å; T66-E118 WeakPolarHBondContact CB-OE1 3.38Å; T66-E118 HydrophobicContact CG2-CG 4.34Å
67R97.6Very high96.8Very high14 Ų1432.8 Ų32.85%0.05317%0.173CC..Hα-helixtrans-53.4-46.8174.5-57178.184.4-162.610.4111.4M69 Y70 A71 E83 D84 V86 Y91 E118R67-M69 PolarHBondContact O-N 3.21Å; R67-Y70 PolarHBondContact O-N 3.44Å; R67-A71 PolarHBondContact O-N 2.91Å; R67-E83 HydrophobicContact CB-CG 3.47Å; R67-E83 VanDerWaalsContact CB-CG 3.47Å; R67-E83 PolarHBondContact NE-O 3.37Å; R67-E83 PolarHBondContact NH2-O 2.94Å; R67-D84 IonicContact CZ-OD1 3.6Å; R67-D84 IonicContact NH1-OD1 2.72Å; R67-D84 PolarHBondContact NH1-OD1 2.8Å; R67-D84 VanDerWaalsContact NH2-CA 3.26Å; R67-D84 PolarHBondContact NH2-O 3.42Å; R67-V86 HydrophobicContact CB-CB 4.39Å; R67-V86 PolarHBondContact NE-O 2.86Å; R67-V86 PolarHBondContact NH2-O 3.01Å; R67-Y91 HydrophobicContact CG-CD2 4.22Å; R67-Y91 HydrophobicContact CG-CG 3.93Å; R67-E118 PolarHBondContact N-OE1 2.8Å
68K97.8Very high96.7Very high92 Ų9234.5 Ų34.540%0.419%0.193SC..Hα-helixtrans-57.6-46.3177.3-177.158.3168.572.60112.7T66 Y70 A71 D72 E83T66-K68 VanDerWaalsContact C-N 3.27Å; T66-K68 PolarHBondContact O-N 2.97Å; K68-Y70 VanDerWaalsContact C-N 3.29Å; K68-Y70 PolarHBondContact O-N 3.49Å; K68-A71 PolarHBondContact O-N 3.38Å; K68-D72 IonicContact NZ-OD1 2.76Å; K68-D72 PolarHBondContact NZ-OD1 3.1Å; K68-D72 IonicContact NZ-OD2 3.9Å; K68-D72 PolarHBondContact NZ-OD2 3.22Å; K68-D72 VanDerWaalsContact O-CG 3.22Å; K68-D72 PolarHBondContact O-N 2.68Å; K68-E83 HydrophobicContact CB-CG 4.44Å; K68-E83 WeakPolarHBondContact CB-OE2 3.27Å
69M97.5Very high96.7Very high79 Ų7934.7 Ų34.739%0.38919%0.194SC..Hα-helixtrans-64.3-34.5179.6-72167.174.200112.3K65 T66 R67 K73K65-M69 HydrophobicContact CB-CB 3.94Å; K65-M69 HydrophobicContact CB-CE 4.38Å; K65-M69 HydrophobicContact CG-CB 4.41Å; K65-M69 HydrophobicContact CG-CE 4.05Å; T66-M69 HydrophobicContact CG2-SD 4.13Å; T66-M69 PolarHBondContact O-N 2.75Å; T66-M69 VanDerWaalsContact O-N 3.16Å; T66-M69 WeakPolarHBondContact OG1-CG 3.41Å; T66-M69 PolarHBondContact OG1-N 2.75Å; T66-M69 PolarHBondContact OG1-SD 3.39Å; R67-M69 PolarHBondContact O-N 3.21Å; M69-K73 WeakPolarHBondContact O-CB 3.37Å; M69-K73 PolarHBondContact O-N 3.21Å
70Y97.6Very high96.6Very high3 Ų339.6 Ų39.61%0.01222%0.22CC..Hα-helixtrans-69.6-43.9173.2-85-59.7000112.3W33 T60 N62 K65 T66 R67 K68 D72 K73 M74 V86W33-Y70 AromaticContact CH2-CD1 3.96Å; W33-Y70 HydrophobicContact CH2-CD1 3.96Å; W33-Y70 HydrophobicContact CH2-CE1 4.33Å; W33-Y70 HydrophobicContact CZ2-CD1 4.12Å; W33-Y70 HydrophobicContact CZ2-CE1 4.03Å; T60-Y70 HydrophobicContact CG2-CD2 4.41Å; T60-Y70 HydrophobicContact CG2-CE1 4.45Å; T60-Y70 HydrophobicContact CG2-CE2 3.79Å; N62-Y70 WeakPolarHBondContact CB-OH 3.43Å; N62-Y70 PolarHBondContact ND2-OH 2.92Å; N62-Y70 PolarHBondContact O-OH 3.28Å; N62-Y70 PolarHBondContact OD1-OH 2.87Å; K65-Y70 HydrophobicContact CB-CD1 4.44Å; K65-Y70 HydrophobicContact CB-CD2 3.78Å; K65-Y70 HydrophobicContact CB-CE1 4.22Å; K65-Y70 HydrophobicContact CB-CE2 3.53Å; K65-Y70 HydrophobicContact CB-CG 4.21Å; K65-Y70 HydrophobicContact CD-CD1 4.17Å; K65-Y70 HydrophobicContact CD-CE1 3.92Å; T66-Y70 WeakPolarHBondContact O-CD2 3.43Å; T66-Y70 PolarHBondContact O-N 3.12Å; T66-Y70 VanDerWaalsContact O-N 3.08Å; R67-Y70 PolarHBondContact O-N 3.44Å; K68-Y70 VanDerWaalsContact C-N 3.29Å; K68-Y70 PolarHBondContact O-N 3.49Å; Y70-D72 VanDerWaalsContact C-N 3.3Å; Y70-D72 PolarHBondContact O-N 3.47Å; Y70-K73 PolarHBondContact O-N 3.49Å; Y70-M74 WeakPolarHBondContact O-CB 3.39Å; Y70-M74 WeakPolarHBondContact O-CG 3.33Å; Y70-M74 PolarHBondContact O-N 3.35Å; Y70-V86 HydrophobicContact CD2-CG1 3.97Å; Y70-V86 HydrophobicContact CG-CG1 4.07Å
71A97.5Very high96.6Very high6 Ų640.2 Ų40.25%0.0523%0.225CC..Hα-helixtrans-59.6-42.4175.500000111.5R67 K68 M74 A75R67-A71 PolarHBondContact O-N 2.91Å; K68-A71 PolarHBondContact O-N 3.38Å; A71-M74 WeakPolarHBondContact O-CB 3.46Å; A71-M74 PolarHBondContact O-N 3.42Å; A71-A75 WeakPolarHBondContact O-CB 3.44Å; A71-A75 PolarHBondContact O-N 3.37Å
72D97.3Very high96.6Very high72 Ų7242.8 Ų42.839%0.38524%0.241SC..Hα-helixtrans-62.7-44.6175.5-68-22.4000111.8K68 Y70 M74 A75 L76K68-D72 IonicContact NZ-OD1 2.76Å; K68-D72 PolarHBondContact NZ-OD1 3.1Å; K68-D72 IonicContact NZ-OD2 3.9Å; K68-D72 PolarHBondContact NZ-OD2 3.22Å; K68-D72 VanDerWaalsContact O-CG 3.22Å; K68-D72 PolarHBondContact O-N 2.68Å; Y70-D72 VanDerWaalsContact C-N 3.3Å; Y70-D72 PolarHBondContact O-N 3.47Å; D72-M74 VanDerWaalsContact C-N 3.35Å; D72-M74 PolarHBondContact O-N 3.44Å; D72-A75 PolarHBondContact O-N 2.97Å; D72-L76 WeakPolarHBondContact O-CG 3.47Å; D72-L76 PolarHBondContact O-N 3.33Å; D72-L76 VanDerWaalsContact O-N 3.13Å
73K96.2Very high96.9Very high27 Ų2744.3 Ų44.312%0.11725%0.247CC..Hα-helixtrans-59.6-45.8174.9173172.5171.2157.30111.4G35 D36 M69 Y70 L76 M77G35-K73 PolarHBondContact O-NZ 2.85Å; D36-K73 WeakPolarHBondContact OD1-CE 3.47Å; D36-K73 IonicContact OD1-NZ 2.87Å; D36-K73 PolarHBondContact OD1-NZ 2.91Å; M69-K73 WeakPolarHBondContact O-CB 3.37Å; M69-K73 PolarHBondContact O-N 3.21Å; Y70-K73 PolarHBondContact O-N 3.49Å; K73-L76 PolarHBondContact O-N 3.33Å; K73-M77 HydrophobicContact CD-CE 4.34Å; K73-M77 HydrophobicContact CG-CE 3.7Å; K73-M77 PolarHBondContact O-N 3.01Å
74M97.6Very high97Very high0 Ų048.6 Ų48.60%027%0.27CS..Hα-helixtrans-60.4-44.1177.4-80.3176.2-163.200111.7I32 W33 F58 Y70 A71 D72 L76 M77 G78 F79 A81 V86I32-M74 HydrophobicContact CD1-CE 4.22Å; W33-M74 HydrophobicContact CH2-CE 3.53Å; W33-M74 HydrophobicContact CH2-CG 4.22Å; W33-M74 HydrophobicContact CZ3-CE 3.54Å; W33-M74 HydrophobicContact CZ3-CG 3.56Å; W33-M74 HydrophobicContact CZ3-SD 4.34Å; F58-M74 HydrophobicContact CB-CE 3.53Å; F58-M74 HydrophobicContact CB-SD 4.48Å; F58-M74 HydrophobicContact CD1-CE 3.74Å; F58-M74 HydrophobicContact CD1-SD 4.06Å; F58-M74 HydrophobicContact CD2-CE 3.85Å; F58-M74 HydrophobicContact CD2-SD 3.66Å; F58-M74 HydrophobicContact CE1-CE 4.39Å; F58-M74 HydrophobicContact CE1-SD 4.16Å; F58-M74 HydrophobicContact CE2-SD 3.79Å; F58-M74 HydrophobicContact CG-CE 3.41Å; F58-M74 VanDerWaalsContact CG-CE 3.41Å; F58-M74 HydrophobicContact CG-SD 3.8Å; F58-M74 HydrophobicContact CZ-SD 4.02Å; Y70-M74 WeakPolarHBondContact O-CB 3.39Å; Y70-M74 WeakPolarHBondContact O-CG 3.33Å; Y70-M74 PolarHBondContact O-N 3.35Å; A71-M74 WeakPolarHBondContact O-CB 3.46Å; A71-M74 PolarHBondContact O-N 3.42Å; D72-M74 VanDerWaalsContact C-N 3.35Å; D72-M74 PolarHBondContact O-N 3.44Å; M74-L76 VanDerWaalsContact C-N 3.33Å; M74-L76 PolarHBondContact O-N 2.8Å; M74-M77 CarbonylContact O-C 3.57Å; M74-M77 PolarHBondContact O-N 3.45Å; M74-G78 PolarHBondContact O-N 3.29Å; M74-F79 HydrophobicContact CB-CB 3.93Å; M74-F79 HydrophobicContact CB-CD2 4.35Å; M74-F79 HydrophobicContact CB-CG 4.46Å; M74-F79 HydrophobicContact CG-CB 4.49Å; M74-F79 HydrophobicContact CG-CD2 4.49Å; M74-F79 WeakPolarHBondContact O-CB 3.28Å; M74-F79 WeakPolarHBondContact O-CD2 3.42Å; M74-F79 PolarHBondContact O-N 2.88Å; M74-A81 HydrophobicContact CB-CB 3.77Å; M74-A81 HydrophobicContact CG-CB 4.22Å; M74-A81 HydrophobicContact SD-CB 3.44Å; M74-A81 WeakPolarHBondContact SD-CB 3.26Å; M74-V86 HydrophobicContact CE-CG2 4.1Å; M74-V86 HydrophobicContact SD-CG2 4.18Å
75A96.4Very high97.2Very high59 Ų5948.2 Ų48.249%0.48827%0.265SS..Hα-helixtrans-60.2-42.3177.700000112.2A71 D72 M77 G78A71-A75 WeakPolarHBondContact O-CB 3.44Å; A71-A75 PolarHBondContact O-N 3.37Å; D72-A75 PolarHBondContact O-N 2.97Å; A75-M77 PolarHBondContact O-N 2.92Å; A75-G78 PolarHBondContact O-N 2.98Å
76L96.8Very high97.2Very high158 Ų15845.5 Ų45.583%0.82725%0.254SS*.Hα-helixtrans-62.1-25.2175.9-68172.2000113.2D72 K73 M74D72-L76 WeakPolarHBondContact O-CG 3.47Å; D72-L76 PolarHBondContact O-N 3.33Å; D72-L76 VanDerWaalsContact O-N 3.13Å; K73-L76 PolarHBondContact O-N 3.33Å; M74-L76 VanDerWaalsContact C-N 3.33Å; M74-L76 PolarHBondContact O-N 2.8Å
77M96.8Very high97.2Very high28 Ų2845 Ų4514%0.13825%0.251CS..THydrogen-bonded Turntrans-95.17.5178.1-69.9-174.6-58.800113.3W33 A38 P43 K73 M74 A75 F79W33-M77 HydrophobicContact CB-CE 4.19Å; W33-M77 HydrophobicContact CB-SD 3.97Å; W33-M77 HydrophobicContact CD2-CE 3.75Å; W33-M77 HydrophobicContact CE3-CE 3.25Å; W33-M77 HydrophobicContact CE3-SD 4.48Å; W33-M77 HydrophobicContact CG-CE 4.18Å; W33-M77 HydrophobicContact CG-SD 4.43Å; W33-M77 HydrophobicContact CZ3-CE 3.83Å; A38-M77 HydrophobicContact CB-CB 4.23Å; P43-M77 VanDerWaalsContact CG-O 3.27Å; P43-M77 WeakPolarHBondContact CG-O 3.24Å; K73-M77 HydrophobicContact CD-CE 4.34Å; K73-M77 HydrophobicContact CG-CE 3.7Å; K73-M77 PolarHBondContact O-N 3.01Å; M74-M77 CarbonylContact O-C 3.57Å; M74-M77 PolarHBondContact O-N 3.45Å; A75-M77 PolarHBondContact O-N 2.92Å; M77-F79 HydrophobicContact CB-CD2 3.66Å; M77-F79 HydrophobicContact CB-CE2 3.62Å; M77-F79 HydrophobicContact CE-CD2 4.29Å; M77-F79 HydrophobicContact CE-CE2 4.03Å
78G97.3Very high97.2Very high41 Ų4144.5 Ų44.542%0.42325%0.25SC..THydrogen-bonded Turntrans85.87.4176.300000115.2N47 M74 A75N47-G78 PolarHBondContact ND2-O 3.48Å; M74-G78 PolarHBondContact O-N 3.29Å; A75-G78 PolarHBondContact O-N 2.98Å
79F97.9Very high97.2Very high4 Ų440.1 Ų40.12%0.01823%0.231CC..  trans-81.2128.3173.9-60.2-87.4000110.1I32 A38 A42 P43 I46 M74 M77 A81I32-F79 HydrophobicContact CB-CE1 3.94Å; I32-F79 HydrophobicContact CB-CZ 3.85Å; I32-F79 HydrophobicContact CG2-CE1 4.29Å; I32-F79 WeakPolarHBondContact O-CZ 3.44Å; A38-F79 HydrophobicContact CB-CE2 4.03Å; A38-F79 HydrophobicContact CB-CZ 4.2Å; A42-F79 HydrophobicContact CB-CE1 3.99Å; A42-F79 HydrophobicContact CB-CZ 3.97Å; P43-F79 HydrophobicContact CB-CD1 4.23Å; P43-F79 HydrophobicContact CB-CE1 4.2Å; P43-F79 HydrophobicContact CB-CG 4.48Å; P43-F79 HydrophobicContact CB-CZ 4.42Å; P43-F79 HydrophobicContact CG-CD1 4.38Å; P43-F79 HydrophobicContact CG-CD2 4.39Å; P43-F79 HydrophobicContact CG-CE1 3.96Å; P43-F79 HydrophobicContact CG-CE2 3.97Å; P43-F79 HydrophobicContact CG-CZ 3.72Å; I46-F79 HydrophobicContact CB-CD1 3.96Å; I46-F79 HydrophobicContact CB-CE1 4.41Å; I46-F79 HydrophobicContact CG1-CD1 3.84Å; I46-F79 HydrophobicContact CG1-CE1 3.88Å; I46-F79 HydrophobicContact CG2-CD1 4.13Å; M74-F79 HydrophobicContact CB-CB 3.93Å; M74-F79 HydrophobicContact CB-CD2 4.35Å; M74-F79 HydrophobicContact CB-CG 4.46Å; M74-F79 HydrophobicContact CG-CB 4.49Å; M74-F79 HydrophobicContact CG-CD2 4.49Å; M74-F79 WeakPolarHBondContact O-CB 3.28Å; M74-F79 WeakPolarHBondContact O-CD2 3.42Å; M74-F79 PolarHBondContact O-N 2.88Å; M77-F79 HydrophobicContact CB-CD2 3.66Å; M77-F79 HydrophobicContact CB-CE2 3.62Å; M77-F79 HydrophobicContact CE-CD2 4.29Å; M77-F79 HydrophobicContact CE-CE2 4.03Å; F79-A81 HydrophobicContact CB-CB 4.43Å; F79-A81 PolarHBondContact O-N 3.46Å
80N96.2Very high97.2Very high103 Ų10336.5 Ų36.555%0.55121%0.213SC*.  trans-78.174.2168.7-176.917.5000109.5N47 K50N47-N80 WeakPolarHBondContact OD1-CB 3.47Å; N47-N80 PolarHBondContact OD1-N 2.99Å; K50-N80 PolarHBondContact NZ-O 3.37Å
81A95.9Very high97.2Very high14 Ų1437.5 Ų37.512%0.11622%0.217CC..  trans-113.2142.4-179.100000111.5F58 M74 F79 E85F58-A81 HydrophobicContact CD2-CB 4.3Å; F58-A81 HydrophobicContact CE2-CB 3.48Å; F58-A81 VanDerWaalsContact CE2-CB 3.48Å; F58-A81 HydrophobicContact CZ-CB 3.92Å; M74-A81 HydrophobicContact CB-CB 3.77Å; M74-A81 HydrophobicContact CG-CB 4.22Å; M74-A81 HydrophobicContact SD-CB 3.44Å; M74-A81 WeakPolarHBondContact SD-CB 3.26Å; F79-A81 HydrophobicContact CB-CB 4.43Å; F79-A81 PolarHBondContact O-N 3.46Å; A81-E85 WeakPolarHBondContact CA-OE2 3.25Å
82T97.1Very high97.2Very high64 Ų6437.2 Ų37.239%0.39322%0.215SC..  trans-110.9161.8175.464.20000111.3D84 E85T82-D84 PolarHBondContact O-N 2.86Å; T82-E85 PolarHBondContact N-OE2 3.01Å; T82-E85 PolarHBondContact O-N 2.8Å; T82-E85 VanDerWaalsContact O-N 3.13Å; T82-E85 WeakPolarHBondContact OG1-CG 3.42Å; T82-E85 PolarHBondContact OG1-OE2 3.12Å
83E97.4Very high97.3Very high59 Ų5933.8 Ų33.828%0.27620%0.197SC..G310 helixtrans-55.9-37.2178.3-176.5169.1178.300112R67 K68 E85 V86 K121R67-E83 HydrophobicContact CB-CG 3.47Å; R67-E83 VanDerWaalsContact CB-CG 3.47Å; R67-E83 PolarHBondContact NE-O 3.37Å; R67-E83 PolarHBondContact NH2-O 2.94Å; K68-E83 HydrophobicContact CB-CG 4.44Å; K68-E83 WeakPolarHBondContact CB-OE2 3.27Å; E83-E85 PolarHBondContact O-N 2.79Å; E83-V86 PolarHBondContact O-N 2.94Å; E83-K121 IonicContact OE1-NZ 2.75Å; E83-K121 PolarHBondContact OE1-NZ 3.08Å
84D97.1Very high97.4Very high92 Ų9232.5 Ų32.549%0.49219%0.191SC..G310 helixtrans-72.1-12.8-177.1-72.5-33.7000114.5R67 T82 F87 F233R67-D84 IonicContact CZ-OD1 3.6Å; R67-D84 IonicContact NH1-OD1 2.72Å; R67-D84 PolarHBondContact NH1-OD1 2.8Å; R67-D84 VanDerWaalsContact NH2-CA 3.26Å; R67-D84 PolarHBondContact NH2-O 3.42Å; T82-D84 PolarHBondContact O-N 2.86Å; D84-F87 WeakPolarHBondContact O-CE2 3.36Å; D84-F233 HydrophobicContact CB-CZ 4.3Å; D84-F233 WeakPolarHBondContact O-CZ 3.47Å
85E98Very high97.4Very high31 Ų3133.9 Ų33.915%0.14520%0.198CC..G310 helixtrans-91.7-7.2177.6-67165.2160.800112.3K50 F57 F58 A81 T82 E83K50-E85 WeakPolarHBondContact CE-OE1 3.23Å; K50-E85 IonicContact NZ-OE1 2.71Å; K50-E85 PolarHBondContact NZ-OE1 2.98Å; K50-E85 IonicContact NZ-OE2 3.87Å; K50-E85 PolarHBondContact NZ-OE2 3.2Å; F57-E85 CarbonylContact C-O 3.52Å; F57-E85 WeakPolarHBondContact CA-O 3.33Å; F58-E85 HydrophobicContact CD2-CB 4.1Å; F58-E85 HydrophobicContact CE2-CB 4.19Å; F58-E85 PolarHBondContact N-O 3.05Å; A81-E85 WeakPolarHBondContact CA-OE2 3.25Å; T82-E85 PolarHBondContact N-OE2 3.01Å; T82-E85 PolarHBondContact O-N 2.8Å; T82-E85 VanDerWaalsContact O-N 3.13Å; T82-E85 WeakPolarHBondContact OG1-CG 3.42Å; T82-E85 PolarHBondContact OG1-OE2 3.12Å; E83-E85 PolarHBondContact O-N 2.79Å
86V98.1Very high97.5Very high0 Ų032.8 Ų32.80%018%0.181CC..EExtended strand (participates in β ladder)trans-101128.6-176.1-175.70000111.9F58 R67 Y70 M74 E83F58-V86 HydrophobicContact CD2-CG2 4.26Å; R67-V86 HydrophobicContact CB-CB 4.39Å; R67-V86 PolarHBondContact NE-O 2.86Å; R67-V86 PolarHBondContact NH2-O 3.01Å; Y70-V86 HydrophobicContact CD2-CG1 3.97Å; Y70-V86 HydrophobicContact CG-CG1 4.07Å; M74-V86 HydrophobicContact CE-CG2 4.1Å; M74-V86 HydrophobicContact SD-CG2 4.18Å; E83-V86 PolarHBondContact O-N 2.94Å
87F97.9Very high97.5Very high0 Ų025.3 Ų25.30%014%0.142CC..EExtended strand (participates in β ladder)trans-128.381.5-179.9-71.8-96.3000109.9F57 F58 V59 T60 D84 Y91 C228 V229 F233F57-F87 HydrophobicContact CD1-CE2 4.02Å; F58-F87 PolarHBondContact O-N 3.48Å; V59-F87 WeakPolarHBondContact CA-O 3.27Å; V59-F87 HydrophobicContact CG1-CB 4.01Å; T60-F87 PolarHBondContact N-O 3.23Å; D84-F87 WeakPolarHBondContact O-CE2 3.36Å; F87-Y91 HydrophobicContact CD1-CD1 4.13Å; F87-Y91 AromaticContact CD1-CE1 3.96Å; F87-Y91 HydrophobicContact CD1-CE1 3.96Å; F87-Y91 HydrophobicContact CE1-CD1 4.48Å; F87-Y91 AromaticContact CE1-CE1 3.87Å; F87-Y91 HydrophobicContact CE1-CE1 3.87Å; F87-C228 HydrophobicContact CD1-CB 3.78Å; F87-C228 HydrophobicContact CE1-CB 3.85Å; F87-V229 HydrophobicContact CB-CG2 4.24Å; F87-V229 HydrophobicContact CD1-CG2 3.76Å; F87-V229 HydrophobicContact CD2-CG2 3.65Å; F87-V229 HydrophobicContact CE1-CB 4.43Å; F87-V229 HydrophobicContact CE1-CG2 3.96Å; F87-V229 HydrophobicContact CE2-CB 4.4Å; F87-V229 HydrophobicContact CE2-CG1 4.24Å; F87-V229 HydrophobicContact CE2-CG2 3.87Å; F87-V229 HydrophobicContact CG-CG2 3.6Å; F87-V229 HydrophobicContact CZ-CB 4.29Å; F87-V229 HydrophobicContact CZ-CG1 4.44Å; F87-V229 HydrophobicContact CZ-CG2 4.01Å; F87-F233 AromaticContact CE2-CE2 3.99Å; F87-F233 HydrophobicContact CE2-CE2 3.99Å; F87-F233 HydrophobicContact CZ-CD2 4.34Å; F87-F233 AromaticContact CZ-CE2 3.8Å; F87-F233 HydrophobicContact CZ-CE2 3.8Å
88G97.1Very high97.6Very high3 Ų328.3 Ų28.33%0.03115%0.154CC..EExtended strand (participates in β ladder)trans-88.3154.2171.700000112.3T60 A90 Y91 C92T60-G88 WeakPolarHBondContact O-CA 3.34Å; G88-A90 PolarHBondContact O-N 2.86Å; G88-A90 VanDerWaalsContact O-N 3.12Å; G88-Y91 PolarHBondContact O-N 3.11Å; G88-C92 PolarHBondContact O-N 3.32Å; G88-C92 PolarHBondContact O-SG 2.93Å
89T97.3Very high97.5Very high0 Ų031.1 Ų31.10%016%0.156CC..Hα-helixtrans-59.7-23.8178.650.80000114.5T60 N61 S63 S93 T183 M225T60-T89 PolarHBondContact O-N 3.49Å; N61-T89 HydrophobicContact CB-CG2 4.39Å; N61-T89 PolarHBondContact O-OG1 3.04Å; S63-T89 WeakPolarHBondContact CB-OG1 3.18Å; T89-S93 VanDerWaalsContact O-CB 3.22Å; T89-S93 WeakPolarHBondContact O-CB 3.41Å; T89-S93 PolarHBondContact O-N 3.29Å; T89-S93 PolarHBondContact O-OG 3.33Å; T89-T183 VanDerWaalsContact CG2-O 3.3Å; T89-T183 WeakPolarHBondContact CG2-O 3.44Å; T89-M225 HydrophobicContact CG2-CE 3.57Å
90A97.6Very high97.4Very high2 Ų234.7 Ų34.72%0.01718%0.178CC..Hα-helixtrans-59.7-50.6170.800000111.4G88 A94 M115 E118G88-A90 PolarHBondContact O-N 2.86Å; G88-A90 VanDerWaalsContact O-N 3.12Å; A90-A94 PolarHBondContact O-N 2.9Å; A90-M115 HydrophobicContact CB-CG 3.76Å; A90-E118 HydrophobicContact CB-CG 4.01Å
91Y97.9Very high97.4Very high24 Ų2431.4 Ų31.49%0.09416%0.163CC..Hα-helixtrans-68.6-48177172.2-109.4000111.9R67 F87 G88 S93 A94 M95 Q232R67-Y91 HydrophobicContact CG-CD2 4.22Å; R67-Y91 HydrophobicContact CG-CG 3.93Å; F87-Y91 HydrophobicContact CD1-CD1 4.13Å; F87-Y91 AromaticContact CD1-CE1 3.96Å; F87-Y91 HydrophobicContact CD1-CE1 3.96Å; F87-Y91 HydrophobicContact CE1-CD1 4.48Å; F87-Y91 AromaticContact CE1-CE1 3.87Å; F87-Y91 HydrophobicContact CE1-CE1 3.87Å; G88-Y91 PolarHBondContact O-N 3.11Å; Y91-S93 PolarHBondContact O-N 3.28Å; Y91-A94 WeakPolarHBondContact O-CB 3.33Å; Y91-A94 PolarHBondContact O-N 3.07Å; Y91-M95 HydrophobicContact CD1-CG 4.21Å; Y91-M95 HydrophobicContact CD2-CG 4.15Å; Y91-M95 HydrophobicContact CE1-CG 3.73Å; Y91-M95 HydrophobicContact CE2-CG 3.67Å; Y91-M95 HydrophobicContact CE2-SD 3.8Å; Y91-M95 HydrophobicContact CG-CG 4.42Å; Y91-M95 VanDerWaalsContact CZ-CG 3.44Å; Y91-M95 WeakPolarHBondContact O-CG 3.33Å; Y91-M95 PolarHBondContact O-N 2.83Å; Y91-Q232 PolarHBondContact OH-NE2 2.62Å
92C97.8Very high97.5Very high0 Ų039.8 Ų39.80%019%0.192CC..Hα-helixtrans-60.2-35.7-179.9-620000111.3G88 A94 M95 Y96 V218 F224G88-C92 PolarHBondContact O-N 3.32Å; G88-C92 PolarHBondContact O-SG 2.93Å; C92-A94 VanDerWaalsContact C-N 3.35Å; C92-A94 PolarHBondContact O-N 2.86Å; C92-M95 PolarHBondContact O-N 3.29Å; C92-Y96 WeakPolarHBondContact O-CB 3.45Å; C92-Y96 PolarHBondContact O-N 3.23Å; C92-V218 HydrophobicContact CB-CG1 3.62Å; C92-F224 HydrophobicContact CB-CD1 4.44Å; C92-F224 HydrophobicContact CB-CE1 4.28Å; C92-F224 VanDerWaalsContact O-CE1 3.25Å; C92-F224 WeakPolarHBondContact O-CE1 3.36Å
93S98.1Very high97.5Very high1 Ų137.8 Ų37.81%0.00718%0.179CC..Hα-helixtrans-65.7-39.3176.7-59.20000111.9T89 Y91 Y96 L97T89-S93 VanDerWaalsContact O-CB 3.22Å; T89-S93 WeakPolarHBondContact O-CB 3.41Å; T89-S93 PolarHBondContact O-N 3.29Å; T89-S93 PolarHBondContact O-OG 3.33Å; Y91-S93 PolarHBondContact O-N 3.28Å; S93-Y96 PolarHBondContact O-N 3.07Å; S93-L97 WeakPolarHBondContact O-CD1 3.44Å; S93-L97 VanDerWaalsContact O-CG 3.25Å; S93-L97 WeakPolarHBondContact O-CG 3.44Å; S93-L97 PolarHBondContact O-N 2.92Å
94A98.2Very high97.5Very high0 Ų042.8 Ų42.80%020%0.202CC..Hα-helixtrans-63-43.2174.100000111.8A90 Y91 C92 L97 K98 E118 L119 V122A90-A94 PolarHBondContact O-N 2.9Å; Y91-A94 WeakPolarHBondContact O-CB 3.33Å; Y91-A94 PolarHBondContact O-N 3.07Å; C92-A94 VanDerWaalsContact C-N 3.35Å; C92-A94 PolarHBondContact O-N 2.86Å; A94-L97 PolarHBondContact O-N 3.35Å; A94-K98 WeakPolarHBondContact O-CB 3.16Å; A94-K98 PolarHBondContact O-N 2.89Å; A94-E118 HydrophobicContact CB-CB 4.34Å; A94-L119 HydrophobicContact CB-CD2 3.9Å; A94-L119 HydrophobicContact CB-CG 4.5Å; A94-V122 HydrophobicContact CB-CG1 4.47Å; A94-V122 HydrophobicContact CB-CG2 3.83Å
95M97.9Very high97.5Very high28 Ų2840.1 Ų40.114%0.13820%0.196CC..Hα-helixtrans-66.5-39.4176.6-64.8-54.8-74.900112.7Y91 C92 K98 H99 V122 F224Y91-M95 HydrophobicContact CD1-CG 4.21Å; Y91-M95 HydrophobicContact CD2-CG 4.15Å; Y91-M95 HydrophobicContact CE1-CG 3.73Å; Y91-M95 HydrophobicContact CE2-CG 3.67Å; Y91-M95 HydrophobicContact CE2-SD 3.8Å; Y91-M95 HydrophobicContact CG-CG 4.42Å; Y91-M95 VanDerWaalsContact CZ-CG 3.44Å; Y91-M95 WeakPolarHBondContact O-CG 3.33Å; Y91-M95 PolarHBondContact O-N 2.83Å; C92-M95 PolarHBondContact O-N 3.29Å; M95-K98 PolarHBondContact O-N 3.05Å; M95-H99 WeakPolarHBondContact CE-CD2 3.44Å; M95-H99 VanDerWaalsContact CE-NE2 3.3Å; M95-H99 WeakPolarHBondContact CE-NE2 3.32Å; M95-H99 WeakPolarHBondContact O-CB 3.33Å; M95-H99 PolarHBondContact O-CD2 3.05Å; M95-H99 PolarHBondContact O-N 3.25Å; M95-V122 HydrophobicContact SD-CG1 4.21Å; M95-F224 HydrophobicContact CB-CZ 4.42Å
96Y98.1Very high97.5Very high37 Ų3740.3 Ų40.315%0.14520%0.197CC..Iπ-helixtrans-58.2-51174.6177.6-94000110.7C92 S93 K98 V100 S101 V181 Q216 V218 F224C92-Y96 WeakPolarHBondContact O-CB 3.45Å; C92-Y96 PolarHBondContact O-N 3.23Å; S93-Y96 PolarHBondContact O-N 3.07Å; Y96-K98 VanDerWaalsContact C-N 3.31Å; Y96-K98 PolarHBondContact O-N 3.33Å; Y96-V100 HydrophobicContact CD2-CB 3.82Å; Y96-V100 HydrophobicContact CD2-CG1 4.11Å; Y96-V100 HydrophobicContact CD2-CG2 3.97Å; Y96-V100 HydrophobicContact CE2-CB 3.82Å; Y96-V100 HydrophobicContact CE2-CG1 3.61Å; Y96-V100 HydrophobicContact CE2-CG2 4.32Å; Y96-V100 HydrophobicContact CG-CB 4.42Å; Y96-V100 WeakPolarHBondContact O-CA 3.49Å; Y96-V100 WeakPolarHBondContact O-CB 3.44Å; Y96-V100 PolarHBondContact O-N 3.23Å; Y96-S101 PolarHBondContact O-N 3.18Å; Y96-V181 HydrophobicContact CD1-CG1 4.2Å; Y96-V181 HydrophobicContact CD1-CG2 4.34Å; Y96-V181 HydrophobicContact CE1-CG1 4.41Å; Y96-V181 HydrophobicContact CE1-CG2 3.95Å; Y96-Q216 HydrophobicContact CE1-CG 4.39Å; Y96-Q216 HydrophobicContact CE2-CG 4.14Å; Y96-Q216 WeakPolarHBondContact OH-CG 2.97Å; Y96-V218 HydrophobicContact CD1-CG2 4.31Å; Y96-V218 HydrophobicContact CG-CG2 4.05Å; Y96-F224 VanDerWaalsContact CA-CZ 3.42Å; Y96-F224 HydrophobicContact CD2-CD1 4.34Å; Y96-F224 HydrophobicContact CD2-CD2 4.13Å; Y96-F224 HydrophobicContact CD2-CE1 4.29Å; Y96-F224 HydrophobicContact CD2-CE2 4.12Å; Y96-F224 HydrophobicContact CD2-CG 4.24Å; Y96-F224 HydrophobicContact CD2-CZ 4.17Å; Y96-F224 HydrophobicContact CG-CE1 4.43Å; Y96-F224 HydrophobicContact CG-CZ 4.46Å
97L98.3Very high97.6Very high0 Ų040.3 Ų40.30%020%0.197CC..Iπ-helixtrans-64.1-38.3-178.6-67.3163.9000112.1S93 A94 S101 R102 L103 V107 L119 I124 A152 V154 V181S93-L97 WeakPolarHBondContact O-CD1 3.44Å; S93-L97 VanDerWaalsContact O-CG 3.25Å; S93-L97 WeakPolarHBondContact O-CG 3.44Å; S93-L97 PolarHBondContact O-N 2.92Å; A94-L97 PolarHBondContact O-N 3.35Å; L97-S101 VanDerWaalsContact CA-OG 3.28Å; L97-S101 WeakPolarHBondContact CA-OG 3.42Å; L97-S101 PolarHBondContact O-OG 2.87Å; L97-R102 PolarHBondContact O-N 3.24Å; L97-R102 VanDerWaalsContact O-N 3.11Å; L97-L103 HydrophobicContact CB-CB 4.43Å; L97-L103 HydrophobicContact CD2-CD2 4.39Å; L97-L103 PolarHBondContact O-N 3.11Å; L97-V107 HydrophobicContact CD1-CG2 3.99Å; L97-L119 HydrophobicContact CD1-CD2 3.65Å; L97-I124 HydrophobicContact CB-CD1 3.63Å; L97-I124 HydrophobicContact CD1-CD1 4.47Å; L97-A152 HydrophobicContact CD2-CB 4.28Å; L97-V154 HydrophobicContact CD1-CG2 3.69Å; L97-V154 HydrophobicContact CD2-CG2 4.28Å; L97-V181 HydrophobicContact CD2-CG2 4.15Å
98K97.8Very high97.6Very high91 Ų9140.5 Ų40.540%0.39620%0.197SC..Iπ-helixtrans-73-47.6-179.4179.8162.8175.3167.90113.2A94 M95 Y96 R102 V122 I124A94-K98 WeakPolarHBondContact O-CB 3.16Å; A94-K98 PolarHBondContact O-N 2.89Å; M95-K98 PolarHBondContact O-N 3.05Å; Y96-K98 VanDerWaalsContact C-N 3.31Å; Y96-K98 PolarHBondContact O-N 3.33Å; K98-R102 WeakPolarHBondContact O-CA 3.45Å; K98-V122 HydrophobicContact CD-CB 3.71Å; K98-V122 HydrophobicContact CD-CG1 4.38Å; K98-V122 HydrophobicContact CD-CG2 4.32Å; K98-V122 PolarHBondContact NZ-O 3.34Å; K98-I124 HydrophobicContact CB-CD1 4.34Å
99H96.1Very high97.7Very high101 Ų10140.3 Ų40.347%0.46820%0.196SC..Iπ-helixtrans-103.1-35.2-166.3-65.1-71000113.7M95M95-H99 WeakPolarHBondContact CE-CD2 3.44Å; M95-H99 VanDerWaalsContact CE-NE2 3.3Å; M95-H99 WeakPolarHBondContact CE-NE2 3.32Å; M95-H99 WeakPolarHBondContact O-CB 3.33Å; M95-H99 PolarHBondContact O-CD2 3.05Å; M95-H99 PolarHBondContact O-N 3.25Å
100V95.6Very high97.8Very high78 Ų7840.3 Ų40.347%0.47320%0.196SC..Iπ-helixtrans-90-59.8-178.3-175.60000110.3Y96 R102 F224Y96-V100 HydrophobicContact CD2-CB 3.82Å; Y96-V100 HydrophobicContact CD2-CG1 4.11Å; Y96-V100 HydrophobicContact CD2-CG2 3.97Å; Y96-V100 HydrophobicContact CE2-CB 3.82Å; Y96-V100 HydrophobicContact CE2-CG1 3.61Å; Y96-V100 HydrophobicContact CE2-CG2 4.32Å; Y96-V100 HydrophobicContact CG-CB 4.42Å; Y96-V100 WeakPolarHBondContact O-CA 3.49Å; Y96-V100 WeakPolarHBondContact O-CB 3.44Å; Y96-V100 PolarHBondContact O-N 3.23Å; V100-R102 VanDerWaalsContact C-N 3.27Å; V100-R102 PolarHBondContact O-N 2.89Å; V100-F224 HydrophobicContact CG2-CD2 4.02Å; V100-F224 HydrophobicContact CG2-CE2 3.27Å; V100-F224 HydrophobicContact CG2-CZ 3.97Å
101S95.8Very high97.8Very high34 Ų3440.3 Ų40.324%0.23820%0.196CC..SBendtrans-77.5-17.5-179.781.60000112.9Y96 L97 L103Y96-S101 PolarHBondContact O-N 3.18Å; L97-S101 VanDerWaalsContact CA-OG 3.28Å; L97-S101 WeakPolarHBondContact CA-OG 3.42Å; L97-S101 PolarHBondContact O-OG 2.87Å; S101-L103 PolarHBondContact O-N 3.45Å
102R97.3Very high97.7Very high190 Ų19040.1 Ų40.172%0.71720%0.198SC*.  trans5044.4-178-58.5179-179.6177.8-1.2112.1L97 K98 V100 Q104L97-R102 PolarHBondContact O-N 3.24Å; L97-R102 VanDerWaalsContact O-N 3.11Å; K98-R102 WeakPolarHBondContact O-CA 3.45Å; V100-R102 VanDerWaalsContact C-N 3.27Å; V100-R102 PolarHBondContact O-N 2.89Å; R102-Q104 PolarHBondContact O-N 3.3Å; R102-Q104 PolarHBondContact O-NE2 2.94Å
103L98.1Very high97.7Very high23 Ų2343.7 Ų43.712%0.1222%0.217CC..  trans-51.3127-172.3-174.272.8000111.1L97 S101 V107 I124 K151 A152 L179L97-L103 HydrophobicContact CB-CB 4.43Å; L97-L103 HydrophobicContact CD2-CD2 4.39Å; L97-L103 PolarHBondContact O-N 3.11Å; S101-L103 PolarHBondContact O-N 3.45Å; L103-V107 HydrophobicContact CD2-CG2 3.57Å; L103-I124 HydrophobicContact CD2-CG2 4.2Å; L103-K151 HydrophobicContact CD1-CB 3.78Å; L103-A152 HydrophobicContact CD1-CB 3.86Å; L103-A152 HydrophobicContact CD2-CB 4.23Å; L103-L179 HydrophobicContact CD1-CD1 4.15Å
104Q96.8Very high97.7Very high163 Ų16343.9 Ų43.976%0.76222%0.219SC*.  trans-112.196.7170.3-61-57.4-4700108.4R102 K151R102-Q104 PolarHBondContact O-N 3.3Å; R102-Q104 PolarHBondContact O-NE2 2.94Å; Q104-K151 WeakPolarHBondContact O-CG 3.41Å
105G97.6Very high97.7Very high36 Ų3644 Ų4437%0.37122%0.219SC..SBendtrans139.7-162.7-177.300000112.8E149G105-E149 CarbonylContact C-O 3.54Å; G105-E149 WeakPolarHBondContact CA-O 3.34Å
106K98.7Very high97.7Very high35 Ų3545.5 Ų45.515%0.15222%0.223CC..EExtended strand (participates in β ladder)trans-97.8163.6-177.1-62-179.8-179.8154.70112.3Q125 D147 E149 V150 K151 A152K106-Q125 WeakPolarHBondContact CA-O 3.28Å; K106-Q125 HydrophobicContact CD-CB 4.44Å; K106-Q125 HydrophobicContact CG-CB 3.84Å; K106-D147 WeakPolarHBondContact CD-OD2 3.29Å; K106-D147 IonicContact NZ-OD1 2.68Å; K106-D147 IonicContact NZ-OD2 2.65Å; K106-D147 PolarHBondContact NZ-OD2 3.02Å; K106-E149 HydrophobicContact CD-CB 3.92Å; K106-E149 WeakPolarHBondContact CE-OE2 3.34Å; K106-E149 HydrophobicContact CG-CB 3.98Å; K106-E149 PolarHBondContact N-O 2.78Å; K106-E149 IonicContact NZ-OE2 3.98Å; K106-E149 PolarHBondContact NZ-OE2 2.95Å; K106-V150 HydrophobicContact CB-CG2 3.97Å; K106-V150 WeakPolarHBondContact O-CA 3.36Å; K106-K151 PolarHBondContact O-N 2.89Å; K106-A152 PolarHBondContact O-N 3.39Å
107V98.9Very high97.7Very high0 Ų048.1 Ų48.10%024%0.236CC..EExtended strand (participates in β ladder)trans-108.1133.3172.2172.20000110.2L97 L103 L109 L119 I124 Q125 Q126 T127 A152 V154L97-V107 HydrophobicContact CD1-CG2 3.99Å; L103-V107 HydrophobicContact CD2-CG2 3.57Å; V107-L109 HydrophobicContact CG1-CB 4.05Å; V107-L119 HydrophobicContact CB-CD1 4.5Å; V107-L119 HydrophobicContact CG1-CD1 4.33Å; V107-I124 HydrophobicContact CB-CG2 4.44Å; V107-I124 HydrophobicContact CG2-CG2 3.59Å; V107-Q125 PolarHBondContact N-O 3.32Å; V107-Q126 HydrophobicContact CB-CB 4.13Å; V107-Q126 CarbonylContact O-C 3.21Å; V107-Q126 WeakPolarHBondContact O-CA 3.25Å; V107-T127 PolarHBondContact O-N 3.05Å; V107-A152 CarbonylContact C-O 3.56Å; V107-A152 WeakPolarHBondContact CA-O 3.38Å; V107-A152 HydrophobicContact CG2-CB 4.34Å; V107-V154 HydrophobicContact CB-CG2 4.49Å; V107-V154 HydrophobicContact CG1-CB 3.71Å; V107-V154 HydrophobicContact CG1-CG2 3.42Å; V107-V154 VanDerWaalsContact CG1-CG2 3.42Å; V107-V154 HydrophobicContact CG2-CG2 4.22Å
108Y98.9Very high97.7Very high4 Ų448.2 Ų48.22%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-86.5109.1156.4-177.3-105.7000108.5I110 T127 A152 V153 V154 K165 R168 A169 Y172Y108-I110 HydrophobicContact CD1-CG1 4.32Å; Y108-I110 HydrophobicContact CE1-CD1 4.1Å; Y108-I110 HydrophobicContact CE1-CG1 3.76Å; Y108-T127 HydrophobicContact CD2-CG2 3.96Å; Y108-A152 PolarHBondContact N-O 3.41Å; Y108-V153 HydrophobicContact CD1-CG1 4.27Å; Y108-V153 HydrophobicContact CD1-CG2 4.33Å; Y108-V153 WeakPolarHBondContact O-CA 3.47Å; Y108-V154 PolarHBondContact O-N 3.39Å; Y108-K165 VanDerWaalsContact OH-CA 3.27Å; Y108-K165 WeakPolarHBondContact OH-CA 3.43Å; Y108-R168 HydrophobicContact CE1-CB 3.95Å; Y108-R168 HydrophobicContact CE2-CB 4.09Å; Y108-A169 HydrophobicContact CD1-CB 4.3Å; Y108-A169 HydrophobicContact CE1-CB 4.11Å; Y108-Y172 AromaticContact CD1-CD2 3.97Å; Y108-Y172 HydrophobicContact CD1-CD2 3.97Å; Y108-Y172 HydrophobicContact CD1-CE2 4.22Å; Y108-Y172 HydrophobicContact CD2-CD2 4.1Å; Y108-Y172 AromaticContact CD2-CE2 3.51Å; Y108-Y172 HydrophobicContact CD2-CE2 3.51Å; Y108-Y172 HydrophobicContact CE2-CE2 4.22Å; Y108-Y172 AromaticContact CG-CD2 3.65Å; Y108-Y172 HydrophobicContact CG-CD2 3.65Å; Y108-Y172 AromaticContact CG-CE2 3.53Å; Y108-Y172 HydrophobicContact CG-CE2 3.53Å
109L98.8Very high97.8Very high0 Ų044 Ų440%022%0.218CC..EExtended strand (participates in β ladder)trans-101.3112.9-172.8176.857.8000110.1V107 M115 R116 L119 Q126 T127 G128 V129 V154V107-L109 HydrophobicContact CG1-CB 4.05Å; L109-M115 HydrophobicContact CD1-CB 4.21Å; L109-M115 HydrophobicContact CD1-CE 3.67Å; L109-M115 HydrophobicContact CD1-SD 4.07Å; L109-M115 HydrophobicContact CD2-CB 3.79Å; L109-R116 HydrophobicContact CD2-CB 4.38Å; L109-L119 HydrophobicContact CD2-CD1 3.93Å; L109-Q126 HydrophobicContact CB-CB 4.28Å; L109-Q126 HydrophobicContact CD2-CG 4.25Å; L109-T127 PolarHBondContact N-O 3.38Å; L109-G128 CarbonylContact O-C 3.56Å; L109-V129 HydrophobicContact CB-CG2 4.02Å; L109-V129 HydrophobicContact CD2-CG2 3.28Å; L109-V129 HydrophobicContact CG-CG2 3.58Å; L109-V154 HydrophobicContact CD1-CB 4.12Å; L109-V154 HydrophobicContact CD1-CG1 4.04Å
110I98.8Very high97.9Very high0 Ų044.3 Ų44.30%022%0.219CC..EExtended strand (participates in β ladder)trans-90.995.3159.9-61.9175.5000105.5Y108 V154 V155 G156 D158 F161 K165 A169 I203 V207Y108-I110 HydrophobicContact CD1-CG1 4.32Å; Y108-I110 HydrophobicContact CE1-CD1 4.1Å; Y108-I110 HydrophobicContact CE1-CG1 3.76Å; I110-V154 PolarHBondContact N-O 3.26Å; I110-V155 HydrophobicContact CG2-CG1 4.45Å; I110-V155 WeakPolarHBondContact O-CA 3.32Å; I110-G156 PolarHBondContact O-N 3.34Å; I110-D158 HydrophobicContact CG2-CB 3.82Å; I110-D158 WeakPolarHBondContact CG2-OD2 3.42Å; I110-F161 HydrophobicContact CD1-CE2 4.31Å; I110-F161 HydrophobicContact CG2-CD2 3.75Å; I110-F161 HydrophobicContact CG2-CE2 4.29Å; I110-K165 HydrophobicContact CD1-CB 4.41Å; I110-K165 HydrophobicContact CG1-CB 4.36Å; I110-A169 HydrophobicContact CD1-CB 3.77Å; I110-I203 HydrophobicContact CG2-CG2 3.83Å; I110-V207 HydrophobicContact CD1-CG2 3.82Å
111G97.8Very high98Very high1 Ų146 Ų461%0.0122%0.22CC..SBendtrans178.4-177.8-172.400000114.6F157 D158G111-F157 CarbonylContact C-O 3.56Å; G111-F157 WeakPolarHBondContact CA-O 3.43Å; G111-D158 PolarHBondContact N-OD2 2.94Å
112S97Very high98.1Very high20 Ų2045.4 Ų45.414%0.1422%0.215CC..  trans-77.7165.6-174.6790000113.7S63 A114 M115 R116 F157S63-S112 PolarHBondContact O-OG 2.8Å; S112-A114 PolarHBondContact O-N 3.23Å; S112-A114 WeakPolarHBondContact OG-CB 3.41Å; S112-A114 PolarHBondContact OG-N 3.31Å; S112-M115 PolarHBondContact O-N 2.82Å; S112-M115 PolarHBondContact OG-N 3.26Å; S112-R116 PolarHBondContact O-N 2.76Å; S112-F157 PolarHBondContact N-O 3.47Å
113N97.4Very high98.1Very high76 Ų7639.6 Ų39.641%0.40621%0.214SC..Hα-helixtrans-61.5-28168.7-174.425.9000112.7R116 K117N113-R116 VanDerWaalsContact CG-NH1 3.28Å; N113-R116 WeakPolarHBondContact O-CB 3.47Å; N113-R116 PolarHBondContact O-N 2.65Å; N113-R116 PolarHBondContact OD1-NH1 2.67Å; N113-K117 WeakPolarHBondContact O-CG 3.33Å; N113-K117 PolarHBondContact O-N 2.95Å; N113-K117 VanDerWaalsContact O-N 3.11Å
114A97.5Very high98.1Very high5 Ų539.1 Ų39.14%0.04121%0.212CC..Hα-helixtrans-66.2-40.8176.200000111.7T64 K65 T66 S112 R116 K117 E118T64-A114 VanDerWaalsContact C-CB 3.47Å; T64-A114 VanDerWaalsContact O-CB 3.28Å; T64-A114 WeakPolarHBondContact O-CB 3.3Å; K65-A114 VanDerWaalsContact C-CB 3.42Å; T66-A114 HydrophobicContact CG2-CB 3.96Å; S112-A114 PolarHBondContact O-N 3.23Å; S112-A114 WeakPolarHBondContact OG-CB 3.41Å; S112-A114 PolarHBondContact OG-N 3.31Å; A114-R116 VanDerWaalsContact C-N 3.35Å; A114-R116 PolarHBondContact O-N 2.91Å; A114-K117 PolarHBondContact O-N 3.22Å; A114-E118 WeakPolarHBondContact O-CG 3.37Å; A114-E118 PolarHBondContact O-N 3.15Å
115M98.5Very high98.2Very high2 Ų237 Ų371%0.0120%0.202CC..Hα-helixtrans-62.7-42.5175.2-67.8-175.570.600112S63 A90 L109 S112 K117 E118 L119 V154 T183S63-M115 WeakPolarHBondContact O-CG 3.38Å; A90-M115 HydrophobicContact CB-CG 3.76Å; L109-M115 HydrophobicContact CD1-CB 4.21Å; L109-M115 HydrophobicContact CD1-CE 3.67Å; L109-M115 HydrophobicContact CD1-SD 4.07Å; L109-M115 HydrophobicContact CD2-CB 3.79Å; S112-M115 PolarHBondContact O-N 2.82Å; S112-M115 PolarHBondContact OG-N 3.26Å; M115-K117 VanDerWaalsContact C-N 3.32Å; M115-K117 PolarHBondContact O-N 3.13Å; M115-E118 PolarHBondContact O-N 2.99Å; M115-L119 WeakPolarHBondContact O-CG 3.38Å; M115-L119 PolarHBondContact O-N 3.41Å; M115-V154 HydrophobicContact CE-CG1 3.73Å; M115-T183 HydrophobicContact CE-CG2 3.26Å; M115-T183 HydrophobicContact SD-CG2 3.92Å
116R98.6Very high98.2Very high60 Ų6037 Ų3723%0.22619%0.192CC..Hα-helixtrans-51-52.9171.6169.3-171.7-48.9141.5-20.8111.1L109 S112 N113 A114 E118 L119 E120 Q126 V129L109-R116 HydrophobicContact CD2-CB 4.38Å; S112-R116 PolarHBondContact O-N 2.76Å; N113-R116 VanDerWaalsContact CG-NH1 3.28Å; N113-R116 WeakPolarHBondContact O-CB 3.47Å; N113-R116 PolarHBondContact O-N 2.65Å; N113-R116 PolarHBondContact OD1-NH1 2.67Å; A114-R116 VanDerWaalsContact C-N 3.35Å; A114-R116 PolarHBondContact O-N 2.91Å; R116-E118 PolarHBondContact O-N 3.03Å; R116-L119 PolarHBondContact O-N 3.47Å; R116-E120 WeakPolarHBondContact CD-OE1 3.21Å; R116-E120 HydrophobicContact CG-CG 4.35Å; R116-E120 WeakPolarHBondContact CG-OE1 3.21Å; R116-E120 WeakPolarHBondContact O-CG 3.44Å; R116-E120 PolarHBondContact O-N 3.46Å; R116-Q126 HydrophobicContact CB-CG 4.25Å; R116-Q126 HydrophobicContact CG-CG 4.08Å; R116-Q126 VanDerWaalsContact CG-NE2 3.29Å; R116-Q126 VanDerWaalsContact NE-NE2 3.14Å; R116-V129 HydrophobicContact CB-CG2 4.27Å; R116-V129 PolarHBondContact NH2-O 2.85Å
117K98.4Very high98.2Very high92 Ų9238.1 Ų38.140%0.420%0.202SC..Hα-helixtrans-61.8-40.1-178.2-70.2176.8179.3-175.20112.6T66 N113 A114 M115 E120 K121T66-K117 HydrophobicContact CG2-CB 3.88Å; T66-K117 HydrophobicContact CG2-CD 4.12Å; N113-K117 WeakPolarHBondContact O-CG 3.33Å; N113-K117 PolarHBondContact O-N 2.95Å; N113-K117 VanDerWaalsContact O-N 3.11Å; A114-K117 PolarHBondContact O-N 3.22Å; M115-K117 VanDerWaalsContact C-N 3.32Å; M115-K117 PolarHBondContact O-N 3.13Å; K117-E120 PolarHBondContact O-N 2.74Å; K117-K121 WeakPolarHBondContact O-CG 3.27Å; K117-K121 PolarHBondContact O-N 2.8Å
118E98.3Very high98.1Very high2 Ų239 Ų391%0.00921%0.212CC..Hα-helixtrans-67.1-37.2176.7-67.6-62.7163.800112.3T66 R67 A90 A94 A114 M115 R116 K121T66-E118 WeakPolarHBondContact CA-OE1 3.48Å; T66-E118 WeakPolarHBondContact CB-OE1 3.38Å; T66-E118 HydrophobicContact CG2-CG 4.34Å; R67-E118 PolarHBondContact N-OE1 2.8Å; A90-E118 HydrophobicContact CB-CG 4.01Å; A94-E118 HydrophobicContact CB-CB 4.34Å; A114-E118 WeakPolarHBondContact O-CG 3.37Å; A114-E118 PolarHBondContact O-N 3.15Å; M115-E118 PolarHBondContact O-N 2.99Å; R116-E118 PolarHBondContact O-N 3.03Å; E118-K121 IonicContact OE1-NZ 3.05Å
119L98.6Very high98Very high3 Ų340 Ų402%0.01622%0.218CC..Hα-helixtrans-66.1-45.1173.3-69.1170.7000111.9A94 L97 V107 L109 M115 R116 K121 V122 G123 I124 Q126A94-L119 HydrophobicContact CB-CD2 3.9Å; A94-L119 HydrophobicContact CB-CG 4.5Å; L97-L119 HydrophobicContact CD1-CD2 3.65Å; V107-L119 HydrophobicContact CB-CD1 4.5Å; V107-L119 HydrophobicContact CG1-CD1 4.33Å; L109-L119 HydrophobicContact CD2-CD1 3.93Å; M115-L119 WeakPolarHBondContact O-CG 3.38Å; M115-L119 PolarHBondContact O-N 3.41Å; R116-L119 PolarHBondContact O-N 3.47Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-K121 PolarHBondContact O-N 2.84Å; L119-V122 WeakPolarHBondContact O-CG2 3.47Å; L119-V122 PolarHBondContact O-N 3.45Å; L119-V122 VanDerWaalsContact O-N 3.13Å; L119-G123 PolarHBondContact O-N 3.38Å; L119-I124 CarbonylContact C-O 3.58Å; L119-I124 HydrophobicContact CB-CB 4.16Å; L119-I124 HydrophobicContact CB-CG2 4.38Å; L119-I124 HydrophobicContact CD2-CB 4.18Å; L119-I124 HydrophobicContact CD2-CD1 4.13Å; L119-I124 HydrophobicContact CD2-CG2 4.01Å; L119-I124 PolarHBondContact O-N 3.49Å; L119-Q126 HydrophobicContact CD1-CB 4.09Å; L119-Q126 HydrophobicContact CD1-CG 4.26Å
120E98.2Very high98Very high106 Ų10640.9 Ų40.950%0.49523%0.226SC..Hα-helixtrans-60.9-41.9178.6-74.8167.9178.200111.8R116 K117 V122 G123R116-E120 WeakPolarHBondContact CD-OE1 3.21Å; R116-E120 HydrophobicContact CG-CG 4.35Å; R116-E120 WeakPolarHBondContact CG-OE1 3.21Å; R116-E120 WeakPolarHBondContact O-CG 3.44Å; R116-E120 PolarHBondContact O-N 3.46Å; K117-E120 PolarHBondContact O-N 2.74Å; E120-V122 PolarHBondContact O-N 2.91Å; E120-V122 VanDerWaalsContact O-N 3.11Å; E120-G123 PolarHBondContact O-N 3.07Å
121K97.6Very high97.9Very high113 Ų11345.5 Ų45.549%0.49126%0.256SS..Hα-helixtrans-55.4-29.2175.9-82.1179.7177.4-176.90113.2E83 K117 E118 L119E83-K121 IonicContact OE1-NZ 2.75Å; E83-K121 PolarHBondContact OE1-NZ 3.08Å; K117-K121 WeakPolarHBondContact O-CG 3.27Å; K117-K121 PolarHBondContact O-N 2.8Å; E118-K121 IonicContact OE1-NZ 3.05Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-K121 PolarHBondContact O-N 2.84Å
122V97.4Very high97.8Very high23 Ų2346.8 Ų46.814%0.13926%0.263CS..THydrogen-bonded Turntrans-101.53.8-179.3-57.40000113.7A94 M95 K98 L119 E120 I124A94-V122 HydrophobicContact CB-CG1 4.47Å; A94-V122 HydrophobicContact CB-CG2 3.83Å; M95-V122 HydrophobicContact SD-CG1 4.21Å; K98-V122 HydrophobicContact CD-CB 3.71Å; K98-V122 HydrophobicContact CD-CG1 4.38Å; K98-V122 HydrophobicContact CD-CG2 4.32Å; K98-V122 PolarHBondContact NZ-O 3.34Å; L119-V122 WeakPolarHBondContact O-CG2 3.47Å; L119-V122 PolarHBondContact O-N 3.45Å; L119-V122 VanDerWaalsContact O-N 3.13Å; E120-V122 PolarHBondContact O-N 2.91Å; E120-V122 VanDerWaalsContact O-N 3.11Å; V122-I124 HydrophobicContact CG2-CB 4.41Å; V122-I124 HydrophobicContact CG2-CD1 3.76Å; V122-I124 HydrophobicContact CG2-CG1 3.96Å
123G98Very high97.7Very high67 Ų6750.5 Ų50.569%0.69129%0.287SS*.THydrogen-bonded Turntrans87.614.3177.600000114.8L119 E120L119-G123 PolarHBondContact O-N 3.38Å; E120-G123 PolarHBondContact O-N 3.07Å
124I98.6Very high97.6Very high14 Ų1452.2 Ų52.27%0.07230%0.295CS..  trans-94117.3179.4-63.5170000109.3L97 K98 L103 V107 L119 V122L97-I124 HydrophobicContact CB-CD1 3.63Å; L97-I124 HydrophobicContact CD1-CD1 4.47Å; K98-I124 HydrophobicContact CB-CD1 4.34Å; L103-I124 HydrophobicContact CD2-CG2 4.2Å; V107-I124 HydrophobicContact CB-CG2 4.44Å; V107-I124 HydrophobicContact CG2-CG2 3.59Å; L119-I124 CarbonylContact C-O 3.58Å; L119-I124 HydrophobicContact CB-CB 4.16Å; L119-I124 HydrophobicContact CB-CG2 4.38Å; L119-I124 HydrophobicContact CD2-CB 4.18Å; L119-I124 HydrophobicContact CD2-CD1 4.13Å; L119-I124 HydrophobicContact CD2-CG2 4.01Å; L119-I124 PolarHBondContact O-N 3.49Å; V122-I124 HydrophobicContact CG2-CB 4.41Å; V122-I124 HydrophobicContact CG2-CD1 3.76Å; V122-I124 HydrophobicContact CG2-CG1 3.96Å
125Q98.4Very high97.3Very high119 Ų11955.5 Ų55.556%0.55632%0.318SS*.  trans-75.8145.4174.1-71.9-179.2-5.900110.9K106 V107K106-Q125 WeakPolarHBondContact CA-O 3.28Å; K106-Q125 HydrophobicContact CD-CB 4.44Å; K106-Q125 HydrophobicContact CG-CB 3.84Å; V107-Q125 PolarHBondContact N-O 3.32Å
126Q98.5Very high97Very high35 Ų3557.6 Ų57.616%0.16434%0.34CS..EExtended strand (participates in β ladder)trans-140.3159.5179.967.7704300113V107 L109 R116 L119V107-Q126 HydrophobicContact CB-CB 4.13Å; V107-Q126 CarbonylContact O-C 3.21Å; V107-Q126 WeakPolarHBondContact O-CA 3.25Å; L109-Q126 HydrophobicContact CB-CB 4.28Å; L109-Q126 HydrophobicContact CD2-CG 4.25Å; R116-Q126 HydrophobicContact CB-CG 4.25Å; R116-Q126 HydrophobicContact CG-CG 4.08Å; R116-Q126 VanDerWaalsContact CG-NE2 3.29Å; R116-Q126 VanDerWaalsContact NE-NE2 3.14Å; L119-Q126 HydrophobicContact CD1-CB 4.09Å; L119-Q126 HydrophobicContact CD1-CG 4.26Å
127T98.1Very high96.8Very high58 Ų5859 Ų5936%0.35636%0.355SS..EExtended strand (participates in β ladder)trans-134.7166.7167.1-179.20000110.2V107 Y108 L109 V150V107-T127 PolarHBondContact O-N 3.05Å; Y108-T127 HydrophobicContact CD2-CG2 3.96Å; L109-T127 PolarHBondContact N-O 3.38Å; T127-V150 HydrophobicContact CG2-CG2 4.15Å
128G96.9Very high96.7Very high20 Ų2062 Ų6221%0.20637%0.37CS..  trans101.3-9.1172.100000116.5L109 K165L109-G128 CarbonylContact O-C 3.56Å; G128-K165 VanDerWaalsContact O-CE 3.31Å; G128-K165 WeakPolarHBondContact O-CE 3.21Å; G128-K165 PolarHBondContact O-NZ 3.28Å
129V97.4Very high96.6Very high25 Ų2567.2 Ų67.215%0.15240%0.397CS..  trans-76.7135.6176177.20000111.6L109 R116L109-V129 HydrophobicContact CB-CG2 4.02Å; L109-V129 HydrophobicContact CD2-CG2 3.28Å; L109-V129 HydrophobicContact CG-CG2 3.58Å; R116-V129 HydrophobicContact CB-CG2 4.27Å; R116-V129 PolarHBondContact NH2-O 2.85Å
130G97.2Very high96.5Very high17 Ų1771 Ų7118%0.17542%0.417CS..SBendtrans104.7179.4-173.900000112.7K165G130-K165 WeakPolarHBondContact O-CE 3.35Å; G130-K165 PolarHBondContact O-NZ 2.97Å
131P97.4Very high96.4Very high97 Ų9768.1 Ų68.163%0.6340%0.402SS*.  trans-61.2141.7177.1-22.633.6000113.6
132D96.1Very high96.3Very high29 Ų2965.2 Ų65.216%0.15540%0.399CS..  trans-129.186.6166.6-166.21.1000108S162 M164 K165 R168D132-S162 WeakPolarHBondContact O-CB 3.39Å; D132-S162 PolarHBondContact O-OG 2.83Å; D132-M164 HydrophobicContact CB-CB 4.28Å; D132-K165 HydrophobicContact CB-CG 3.72Å; D132-R168 WeakPolarHBondContact OD2-CD 3.28Å; D132-R168 IonicContact OD2-CZ 2.78Å; D132-R168 IonicContact OD2-NE 2.79Å; D132-R168 PolarHBondContact OD2-NE 2.94Å
133P94.7Very high96.2Very high97 Ų9769.7 Ų69.763%0.6342%0.422SS*.  trans-70.6151.7-175.129.5-34000111.3S135P133-S135 PolarHBondContact O-N 2.75Å
134I95Very high96Very high113 Ų11367.2 Ų67.258%0.57939%0.394SS*.  trans-59.6130.7175.4-62.5173.4000109.4W141 M164I134-W141 HydrophobicContact CG2-CZ2 3.86Å; I134-M164 HydrophobicContact CB-CG 4.46Å; I134-M164 HydrophobicContact CG1-CG 4.21Å
135S90.8Very high95.8Very high74 Ų7471.4 Ų71.452%0.51742%0.422SS..  trans-146.1145.9174.953.90000109.7P133 W141P133-S135 PolarHBondContact O-N 2.75Å; S135-W141 VanDerWaalsContact O-CD1 3.27Å; S135-W141 PolarHBondContact O-NE1 2.83Å
136G93.3Very high95.8Very high46 Ų4669.1 Ų69.147%0.47441%0.413SS..SBendtrans71.9-168.5-176.500000114.2D140 W141G136-D140 WeakPolarHBondContact CA-OD2 3.43Å; G136-W141 PolarHBondContact O-NE1 2.85Å
137V94.9Very high95.8Very high89 Ų8969.5 Ų69.554%0.53942%0.416SS..  trans-117.6-178.6177.8-56.30000110.8I139 D140 W141V137-I139 VanDerWaalsContact C-N 3.26Å; V137-I139 HydrophobicContact CG2-CG2 3.87Å; V137-I139 PolarHBondContact O-N 3.01Å; V137-I139 VanDerWaalsContact O-N 3.11Å; V137-D140 PolarHBondContact N-OD2 3.4Å; V137-D140 WeakPolarHBondContact O-CA 3.39Å; V137-D140 WeakPolarHBondContact O-CB 3.32Å; V137-D140 PolarHBondContact O-N 3.07Å; V137-W141 VanDerWaalsContact O-CD1 3.26Å; V137-W141 VanDerWaalsContact O-CG 3.31Å; V137-W141 PolarHBondContact O-N 2.91Å; V137-W141 PolarHBondContact O-NE1 2.86Å
138Q94.8Very high95.7Very high156 Ų15671.8 Ų71.873%0.72943%0.432SS*.Hα-helixtrans-51.7-39.4-175-69.3179.1-5.400114.4D140 W141 A142Q138-D140 VanDerWaalsContact C-N 3.31Å; Q138-D140 PolarHBondContact O-N 3.19Å; Q138-W141 HydrophobicContact CB-CE3 4.39Å; Q138-W141 HydrophobicContact CG-CE3 3.98Å; Q138-W141 HydrophobicContact CG-CZ3 3.86Å; Q138-W141 PolarHBondContact O-N 3.01Å; Q138-A142 PolarHBondContact O-N 3.23Å
139I96.3Very high95.8Very high111 Ų11175.8 Ų75.857%0.56945%0.445SS*.Hα-helixtrans-67.7-33.3178-16261.2000112V137 N143V137-I139 VanDerWaalsContact C-N 3.26Å; V137-I139 HydrophobicContact CG2-CG2 3.87Å; V137-I139 PolarHBondContact O-N 3.01Å; V137-I139 VanDerWaalsContact O-N 3.11Å; I139-N143 PolarHBondContact O-N 3.19Å; I139-N143 PolarHBondContact O-ND2 2.86Å
140D96.3Very high95.9Very high83 Ų8375 Ų7544%0.44444%0.44SS..Hα-helixtrans-70.5-38.6175.3-55-47.1000110.4G136 V137 Q138 N143 V144G136-D140 WeakPolarHBondContact CA-OD2 3.43Å; V137-D140 PolarHBondContact N-OD2 3.4Å; V137-D140 WeakPolarHBondContact O-CA 3.39Å; V137-D140 WeakPolarHBondContact O-CB 3.32Å; V137-D140 PolarHBondContact O-N 3.07Å; Q138-D140 VanDerWaalsContact C-N 3.31Å; Q138-D140 PolarHBondContact O-N 3.19Å; D140-N143 CarbonylContact O-C 3.31Å; D140-N143 VanDerWaalsContact O-C 3.31Å; D140-N143 PolarHBondContact O-N 2.68Å; D140-V144 PolarHBondContact O-N 3.24Å
141W95.8Very high95.9Very high44 Ų4478.1 Ų78.117%0.16745%0.449CS..Hα-helixtrans-66-38.7178-53.3-16.8000111.9I134 S135 G136 V137 Q138 N143 V144 Y163 M164 N167I134-W141 HydrophobicContact CG2-CZ2 3.86Å; S135-W141 VanDerWaalsContact O-CD1 3.27Å; S135-W141 PolarHBondContact O-NE1 2.83Å; G136-W141 PolarHBondContact O-NE1 2.85Å; V137-W141 VanDerWaalsContact O-CD1 3.26Å; V137-W141 VanDerWaalsContact O-CG 3.31Å; V137-W141 PolarHBondContact O-N 2.91Å; V137-W141 PolarHBondContact O-NE1 2.86Å; Q138-W141 HydrophobicContact CB-CE3 4.39Å; Q138-W141 HydrophobicContact CG-CE3 3.98Å; Q138-W141 HydrophobicContact CG-CZ3 3.86Å; Q138-W141 PolarHBondContact O-N 3.01Å; W141-N143 PolarHBondContact O-N 2.99Å; W141-V144 WeakPolarHBondContact O-CG1 3.22Å; W141-V144 PolarHBondContact O-N 3.45Å; W141-Y163 HydrophobicContact CD2-CE1 4.06Å; W141-Y163 HydrophobicContact CE3-CD1 4.43Å; W141-Y163 AromaticContact CE3-CE1 3.47Å; W141-Y163 HydrophobicContact CE3-CE1 3.47Å; W141-Y163 VanDerWaalsContact CE3-CE1 3.47Å; W141-Y163 HydrophobicContact CH2-CE1 4.31Å; W141-Y163 HydrophobicContact CZ3-CD1 4.42Å; W141-Y163 AromaticContact CZ3-CE1 3.6Å; W141-Y163 HydrophobicContact CZ3-CE1 3.6Å; W141-M164 HydrophobicContact CD2-SD 4.42Å; W141-M164 HydrophobicContact CG-CE 4.32Å; W141-M164 HydrophobicContact CG-SD 4.1Å; W141-N167 PolarHBondContact O-ND2 3.4Å
142A95.6Very high96Very high52 Ų5273.5 Ų73.543%0.4342%0.419SS..Hα-helixtrans-66.5-27.1174.900000112.7Q138Q138-A142 PolarHBondContact O-N 3.23Å
143N95.3Very high96.1Very high117 Ų11772.1 Ų72.163%0.62641%0.412SS*.THydrogen-bonded Turntrans-109.822.6-179.2-64.3-67.3000112.8I139 D140 W141I139-N143 PolarHBondContact O-N 3.19Å; I139-N143 PolarHBondContact O-ND2 2.86Å; D140-N143 CarbonylContact O-C 3.31Å; D140-N143 VanDerWaalsContact O-C 3.31Å; D140-N143 PolarHBondContact O-N 2.68Å; W141-N143 PolarHBondContact O-N 2.99Å
144V95.5Very high96.3Very high16 Ų1667.5 Ų67.510%0.09738%0.382CS..  trans-59.8133.1-178.271.10000109.8D140 W141 L146 R168 Q171D140-V144 PolarHBondContact O-N 3.24Å; W141-V144 WeakPolarHBondContact O-CG1 3.22Å; W141-V144 PolarHBondContact O-N 3.45Å; V144-L146 HydrophobicContact CG1-CD2 4.02Å; V144-L146 PolarHBondContact O-N 3.2Å; V144-R168 HydrophobicContact CG1-CG 4.17Å; V144-R168 HydrophobicContact CG2-CG 4.26Å; V144-R168 VanDerWaalsContact CG2-NH1 3.3Å; V144-Q171 HydrophobicContact CG1-CB 4.49Å; V144-Q171 HydrophobicContact CG1-CG 3.88Å
145P94.6Very high96.5Very high102 Ų10262.1 Ų62.166%0.66235%0.354SS*.  trans-63.6130.9-178.624.2-33.9000110.5R168P145-R168 PolarHBondContact O-NH1 2.99Å
146L96.9Very high96.9Very high70 Ų7058.6 Ų58.637%0.36633%0.33SS..  trans-111.7145.1177.6-57.5-175.1000110.1V144 P148 Q171 Y172V144-L146 HydrophobicContact CG1-CD2 4.02Å; V144-L146 PolarHBondContact O-N 3.2Å; L146-P148 WeakPolarHBondContact O-CD 3.42Å; L146-Q171 HydrophobicContact CD1-CB 3.82Å; L146-Q171 HydrophobicContact CD2-CB 3.89Å; L146-Q171 HydrophobicContact CG-CB 4.36Å; L146-Y172 HydrophobicContact CB-CD1 4.32Å; L146-Y172 HydrophobicContact CB-CE1 3.64Å; L146-Y172 HydrophobicContact CD1-CD1 4.16Å; L146-Y172 HydrophobicContact CD1-CE1 4.29Å; L146-Y172 HydrophobicContact CD2-CD1 4.3Å; L146-Y172 HydrophobicContact CD2-CD2 4.28Å; L146-Y172 HydrophobicContact CD2-CE1 3.98Å; L146-Y172 HydrophobicContact CD2-CE2 3.95Å; L146-Y172 HydrophobicContact CD2-CG 4.44Å; L146-Y172 HydrophobicContact CG-CE1 4.17Å
147D97.9Very high97.1Very high44 Ų4458.3 Ų58.324%0.23532%0.315CS..  trans-82114.5169.8-177-20.8000108.8K106 E149 V150 Y172K106-D147 WeakPolarHBondContact CD-OD2 3.29Å; K106-D147 IonicContact NZ-OD1 2.68Å; K106-D147 IonicContact NZ-OD2 2.65Å; K106-D147 PolarHBondContact NZ-OD2 3.02Å; D147-E149 PolarHBondContact O-N 3.35Å; D147-E149 VanDerWaalsContact O-N 3.13Å; D147-E149 WeakPolarHBondContact OD1-CB 3.28Å; D147-E149 PolarHBondContact OD1-N 3.35Å; D147-V150 HydrophobicContact CB-CG2 3.99Å; D147-V150 WeakPolarHBondContact O-CB 3.38Å; D147-V150 PolarHBondContact O-N 3.04Å; D147-Y172 PolarHBondContact N-OH 3.04Å; D147-Y172 WeakPolarHBondContact O-CE1 3.29Å
148P97.4Very high97.2Very high106 Ų10654.5 Ų54.569%0.68829%0.292SS*.THydrogen-bonded Turntrans-65.8-16.1-176.228.7-36.2000113.5L146 V150 K151L146-P148 WeakPolarHBondContact O-CD 3.42Å; P148-V150 VanDerWaalsContact C-N 3.28Å; P148-K151 PolarHBondContact O-NZ 3.42Å
149E98.3Very high97.2Very high104 Ų10454.4 Ų54.449%0.48629%0.291SS..THydrogen-bonded Turntrans-78.4-12.3175.8-59.4-172.995.700112.4G105 K106 D147 K151G105-E149 CarbonylContact C-O 3.54Å; G105-E149 WeakPolarHBondContact CA-O 3.34Å; K106-E149 HydrophobicContact CD-CB 3.92Å; K106-E149 WeakPolarHBondContact CE-OE2 3.34Å; K106-E149 HydrophobicContact CG-CB 3.98Å; K106-E149 PolarHBondContact N-O 2.78Å; K106-E149 IonicContact NZ-OE2 3.98Å; K106-E149 PolarHBondContact NZ-OE2 2.95Å; D147-E149 PolarHBondContact O-N 3.35Å; D147-E149 VanDerWaalsContact O-N 3.13Å; D147-E149 WeakPolarHBondContact OD1-CB 3.28Å; D147-E149 PolarHBondContact OD1-N 3.35Å; E149-K151 PolarHBondContact O-N 3.21Å
150V98.8Very high97.3Very high7 Ų752.6 Ų52.64%0.04228%0.28CS..EExtended strand (participates in β ladder)trans-68.7119.6174.8171.10000110.3K106 T127 D147 P148 Y172K106-V150 HydrophobicContact CB-CG2 3.97Å; K106-V150 WeakPolarHBondContact O-CA 3.36Å; T127-V150 HydrophobicContact CG2-CG2 4.15Å; D147-V150 HydrophobicContact CB-CG2 3.99Å; D147-V150 WeakPolarHBondContact O-CB 3.38Å; D147-V150 PolarHBondContact O-N 3.04Å; P148-V150 VanDerWaalsContact C-N 3.28Å; V150-Y172 HydrophobicContact CB-CD1 3.81Å; V150-Y172 HydrophobicContact CB-CE1 3.48Å; V150-Y172 VanDerWaalsContact CB-CE1 3.48Å; V150-Y172 HydrophobicContact CG1-CD1 3.62Å; V150-Y172 HydrophobicContact CG1-CD2 4.31Å; V150-Y172 HydrophobicContact CG1-CE1 3.74Å; V150-Y172 HydrophobicContact CG1-CE2 4.41Å; V150-Y172 HydrophobicContact CG1-CG 3.93Å; V150-Y172 HydrophobicContact CG2-CE1 3.85Å
151K98.8Very high97.4Very high84 Ų8452 Ų5237%0.36527%0.274SS..EExtended strand (participates in β ladder)trans-118.9-0.9178.6-57.2-53.1179.4-158.40113.6L103 Q104 K106 P148 E149 C178 L179L103-K151 HydrophobicContact CD1-CB 3.78Å; Q104-K151 WeakPolarHBondContact O-CG 3.41Å; K106-K151 PolarHBondContact O-N 2.89Å; P148-K151 PolarHBondContact O-NZ 3.42Å; E149-K151 PolarHBondContact O-N 3.21Å; K151-C178 WeakPolarHBondContact O-CA 3.11Å; K151-L179 PolarHBondContact O-N 3.22Å
152A98.9Very high97.4Very high0 Ų051.2 Ų51.20%028%0.275CS..EExtended strand (participates in β ladder)trans-147.4140.117600000111.5L97 L103 K106 V107 Y108 L179L97-A152 HydrophobicContact CD2-CB 4.28Å; L103-A152 HydrophobicContact CD1-CB 3.86Å; L103-A152 HydrophobicContact CD2-CB 4.23Å; K106-A152 PolarHBondContact O-N 3.39Å; V107-A152 CarbonylContact C-O 3.56Å; V107-A152 WeakPolarHBondContact CA-O 3.38Å; V107-A152 HydrophobicContact CG2-CB 4.34Å; Y108-A152 PolarHBondContact N-O 3.41Å; A152-L179 CarbonylContact C-O 3.5Å; A152-L179 WeakPolarHBondContact CA-O 3.3Å; A152-L179 HydrophobicContact CB-CB 3.89Å
153V98.9Very high97.5Very high0 Ų054.5 Ų54.50%028%0.277CS..EExtended strand (participates in β ladder)trans-99.2123.5161.31780000108.4Y108 V155 A169 L173 L179 L180 V181Y108-V153 HydrophobicContact CD1-CG1 4.27Å; Y108-V153 HydrophobicContact CD1-CG2 4.33Å; Y108-V153 WeakPolarHBondContact O-CA 3.47Å; V153-V155 HydrophobicContact CG1-CG2 4.13Å; V153-A169 HydrophobicContact CG1-CB 3.92Å; V153-A169 HydrophobicContact CG2-CB 4.5Å; V153-L173 HydrophobicContact CB-CD1 4.15Å; V153-L173 HydrophobicContact CB-CD2 4.07Å; V153-L173 HydrophobicContact CB-CG 4.16Å; V153-L173 HydrophobicContact CG1-CD1 4.3Å; V153-L173 HydrophobicContact CG2-CD1 4.07Å; V153-L173 HydrophobicContact CG2-CD2 3.93Å; V153-L173 HydrophobicContact CG2-CG 3.71Å; V153-L179 PolarHBondContact N-O 2.95Å; V153-L180 HydrophobicContact CB-CD1 4.29Å; V153-L180 HydrophobicContact CG1-CD1 4.23Å; V153-V181 PolarHBondContact O-N 3.07Å
154V98.9Very high97.6Very high0 Ų049.1 Ų49.10%025%0.248CC..EExtended strand (participates in β ladder)trans-115.3127.91781790000108.9L97 V107 Y108 L109 I110 M115 V181L97-V154 HydrophobicContact CD1-CG2 3.69Å; L97-V154 HydrophobicContact CD2-CG2 4.28Å; V107-V154 HydrophobicContact CB-CG2 4.49Å; V107-V154 HydrophobicContact CG1-CB 3.71Å; V107-V154 HydrophobicContact CG1-CG2 3.42Å; V107-V154 VanDerWaalsContact CG1-CG2 3.42Å; V107-V154 HydrophobicContact CG2-CG2 4.22Å; Y108-V154 PolarHBondContact O-N 3.39Å; L109-V154 HydrophobicContact CD1-CB 4.12Å; L109-V154 HydrophobicContact CD1-CG1 4.04Å; I110-V154 PolarHBondContact N-O 3.26Å; M115-V154 HydrophobicContact CE-CG1 3.73Å; V154-V181 CarbonylContact C-O 3.53Å; V154-V181 WeakPolarHBondContact CA-O 3.39Å; V154-V181 HydrophobicContact CG2-CB 4.26Å
155V98.8Very high97.8Very high0 Ų048.3 Ų48.30%024%0.244CC..EExtended strand (participates in β ladder)trans-116.7110-175.4-172.10000110.3I110 V153 L180 V181 G182 T183 I203 L204 V207I110-V155 HydrophobicContact CG2-CG1 4.45Å; I110-V155 WeakPolarHBondContact O-CA 3.32Å; V153-V155 HydrophobicContact CG1-CG2 4.13Å; V155-L180 HydrophobicContact CG2-CD1 4.2Å; V155-V181 PolarHBondContact N-O 2.77Å; V155-G182 WeakPolarHBondContact O-CA 3.45Å; V155-T183 PolarHBondContact O-N 2.85Å; V155-T183 PolarHBondContact O-OG1 3.44Å; V155-I203 HydrophobicContact CG1-CB 4.23Å; V155-I203 HydrophobicContact CG1-CG2 3.6Å; V155-L204 HydrophobicContact CB-CD1 3.81Å; V155-L204 HydrophobicContact CG1-CB 4.31Å; V155-L204 HydrophobicContact CG1-CD1 4.14Å; V155-L204 HydrophobicContact CG2-CD1 4.15Å; V155-V207 HydrophobicContact CG1-CG2 4.48Å; V155-V207 HydrophobicContact CG2-CB 4.21Å; V155-V207 HydrophobicContact CG2-CG1 4.03Å; V155-V207 HydrophobicContact CG2-CG2 4.06Å
156G98.3Very high98Very high0 Ų045 Ų450%022%0.22CC..  trans-115.6-169.5168.900000112.4I110 D158 T183I110-G156 PolarHBondContact O-N 3.34Å; G156-D158 PolarHBondContact O-N 2.84Å; G156-T183 WeakPolarHBondContact CA-OG1 3.25Å
157F97.4Very high98Very high40 Ų4042.2 Ų42.218%0.17521%0.206CC..  trans-66.4126.2169-177.6-96.7000109.7S63 T64 G111 S112 E159 L189 P198 T200S63-F157 PolarHBondContact OG-N 3.37Å; S63-F157 VanDerWaalsContact OG-N 3.15Å; T64-F157 HydrophobicContact CG2-CB 4.36Å; T64-F157 HydrophobicContact CG2-CD1 3.62Å; T64-F157 HydrophobicContact CG2-CE1 4.3Å; T64-F157 HydrophobicContact CG2-CG 4.26Å; G111-F157 CarbonylContact C-O 3.56Å; G111-F157 WeakPolarHBondContact CA-O 3.43Å; S112-F157 PolarHBondContact N-O 3.47Å; F157-E159 HydrophobicContact CE1-CB 4.24Å; F157-L189 HydrophobicContact CD2-CD1 3.54Å; F157-L189 HydrophobicContact CE2-CD1 3.47Å; F157-L189 VanDerWaalsContact CE2-CD1 3.47Å; F157-L189 HydrophobicContact CG-CD1 4.19Å; F157-L189 HydrophobicContact CZ-CD1 4.07Å; F157-P198 WeakPolarHBondContact CE2-O 3.32Å; F157-T200 PolarHBondContact N-OG1 2.72Å; F157-T200 VanDerWaalsContact N-OG1 3.11Å
158D97.6Very high98.1Very high8 Ų842.5 Ų42.54%0.04320%0.204CC..  trans-137.1106.4-178.7-170.3-8.2000109.8I110 G111 G156 H160 F161 K165 I203I110-D158 HydrophobicContact CG2-CB 3.82Å; I110-D158 WeakPolarHBondContact CG2-OD2 3.42Å; G111-D158 PolarHBondContact N-OD2 2.94Å; G156-D158 PolarHBondContact O-N 2.84Å; D158-H160 PolarHBondContact O-N 2.99Å; D158-H160 WeakPolarHBondContact OD1-CA 3.49Å; D158-H160 WeakPolarHBondContact OD1-CB 3.46Å; D158-H160 PolarHBondContact OD1-N 3.2Å; D158-F161 HydrophobicContact CB-CB 4.42Å; D158-F161 WeakPolarHBondContact O-CB 3.33Å; D158-F161 PolarHBondContact O-N 3.11Å; D158-F161 VanDerWaalsContact O-N 3.15Å; D158-K165 IonicContact OD1-NZ 3.35Å; D158-K165 PolarHBondContact OD1-NZ 2.75Å; D158-K165 WeakPolarHBondContact OD2-CD 3.44Å; D158-K165 IonicContact OD2-NZ 3.26Å; D158-K165 PolarHBondContact OD2-NZ 3.17Å; D158-I203 HydrophobicContact CB-CD1 4.25Å
159E95.4Very high98.1Very high155 Ų15537.5 Ų37.572%0.72417%0.171SC*.THydrogen-bonded Turntrans-66-13.2176.365.4-166-153.900113.2F157F157-E159 HydrophobicContact CE1-CB 4.24Å
160H97.3Very high98.1Very high73 Ų7334.8 Ų34.834%0.33816%0.159SC..THydrogen-bonded Turntrans-106.218.3176.6-59.9-49.3000112.9D158 S162 K165D158-H160 PolarHBondContact O-N 2.99Å; D158-H160 WeakPolarHBondContact OD1-CA 3.49Å; D158-H160 WeakPolarHBondContact OD1-CB 3.46Å; D158-H160 PolarHBondContact OD1-N 3.2Å; H160-S162 PolarHBondContact O-N 3.26Å; H160-K165 WeakPolarHBondContact O-CE 3.4Å
161F98.2Very high98.1Very high70 Ų7036.4 Ų36.431%0.30717%0.167SC..  trans-55.2125.2176.3-175.7-114.9000110.5I110 D158 L166 I203 A206 V207I110-F161 HydrophobicContact CD1-CE2 4.31Å; I110-F161 HydrophobicContact CG2-CD2 3.75Å; I110-F161 HydrophobicContact CG2-CE2 4.29Å; D158-F161 HydrophobicContact CB-CB 4.42Å; D158-F161 WeakPolarHBondContact O-CB 3.33Å; D158-F161 PolarHBondContact O-N 3.11Å; D158-F161 VanDerWaalsContact O-N 3.15Å; F161-L166 HydrophobicContact CE2-CB 4.16Å; F161-L166 HydrophobicContact CZ-CB 3.97Å; F161-L166 HydrophobicContact CZ-CD1 4.29Å; F161-L166 HydrophobicContact CZ-CD2 4.45Å; F161-L166 HydrophobicContact CZ-CG 4.47Å; F161-I203 HydrophobicContact CB-CD1 4.19Å; F161-I203 HydrophobicContact CB-CG1 4.39Å; F161-I203 HydrophobicContact CD1-CG1 4.31Å; F161-I203 HydrophobicContact CD1-CG2 4.32Å; F161-I203 HydrophobicContact CD2-CG2 3.52Å; F161-I203 HydrophobicContact CE1-CG2 4.4Å; F161-I203 HydrophobicContact CE2-CG2 3.63Å; F161-I203 HydrophobicContact CG-CD1 4.5Å; F161-I203 HydrophobicContact CG-CG1 4.22Å; F161-I203 HydrophobicContact CG-CG2 3.87Å; F161-I203 HydrophobicContact CZ-CG2 4.07Å; F161-A206 HydrophobicContact CE1-CB 4.21Å; F161-A206 HydrophobicContact CZ-CB 3.97Å; F161-V207 HydrophobicContact CE2-CG2 4.32Å
162S97.6Very high98.1Very high28 Ų2833.3 Ų33.320%0.19615%0.153CC..  trans-138.1165.5-174.881.70000110.6D132 H160 M164 K165 L166D132-S162 WeakPolarHBondContact O-CB 3.39Å; D132-S162 PolarHBondContact O-OG 2.83Å; H160-S162 PolarHBondContact O-N 3.26Å; S162-M164 PolarHBondContact O-N 3.13Å; S162-M164 PolarHBondContact OG-N 2.85Å; S162-K165 PolarHBondContact O-N 2.97Å; S162-K165 PolarHBondContact OG-N 3.43Å; S162-L166 PolarHBondContact O-N 2.95Å; S162-L166 VanDerWaalsContact O-N 3.08Å
163Y97.3Very high98.1Very high120 Ų12033.5 Ų33.547%0.47115%0.154SC..Hα-helixtrans-56.9-39.4173-177.8-92.2000112.1W141 K165 L166 N167W141-Y163 HydrophobicContact CD2-CE1 4.06Å; W141-Y163 HydrophobicContact CE3-CD1 4.43Å; W141-Y163 AromaticContact CE3-CE1 3.47Å; W141-Y163 HydrophobicContact CE3-CE1 3.47Å; W141-Y163 VanDerWaalsContact CE3-CE1 3.47Å; W141-Y163 HydrophobicContact CH2-CE1 4.31Å; W141-Y163 HydrophobicContact CZ3-CD1 4.42Å; W141-Y163 AromaticContact CZ3-CE1 3.6Å; W141-Y163 HydrophobicContact CZ3-CE1 3.6Å; Y163-K165 VanDerWaalsContact C-N 3.35Å; Y163-K165 PolarHBondContact O-N 3.24Å; Y163-L166 WeakPolarHBondContact O-CB 3.4Å; Y163-L166 PolarHBondContact O-N 2.79Å; Y163-N167 HydrophobicContact CE1-CB 4.38Å; Y163-N167 WeakPolarHBondContact O-CB 3.36Å; Y163-N167 PolarHBondContact O-N 3.02Å
164M97.9Very high98Very high4 Ų438.4 Ų38.42%0.0218%0.18CC..Hα-helixtrans-66.4-36.9179.3-69.2-52.1-61.100112.4D132 I134 W141 S162 N167 R168D132-M164 HydrophobicContact CB-CB 4.28Å; I134-M164 HydrophobicContact CB-CG 4.46Å; I134-M164 HydrophobicContact CG1-CG 4.21Å; W141-M164 HydrophobicContact CD2-SD 4.42Å; W141-M164 HydrophobicContact CG-CE 4.32Å; W141-M164 HydrophobicContact CG-SD 4.1Å; S162-M164 PolarHBondContact O-N 3.13Å; S162-M164 PolarHBondContact OG-N 2.85Å; M164-N167 PolarHBondContact O-N 3.28Å; M164-R168 WeakPolarHBondContact O-CG 3.21Å; M164-R168 PolarHBondContact O-N 2.92Å
165K98.4Very high98Very high0 Ų041.6 Ų41.60%020%0.197CC..Hα-helixtrans-64-44.5173.2-65.7-158-176.4-165.30112.5Y108 I110 G128 G130 D132 D158 H160 S162 Y163 N167 R168 A169Y108-K165 VanDerWaalsContact OH-CA 3.27Å; Y108-K165 WeakPolarHBondContact OH-CA 3.43Å; I110-K165 HydrophobicContact CD1-CB 4.41Å; I110-K165 HydrophobicContact CG1-CB 4.36Å; G128-K165 VanDerWaalsContact O-CE 3.31Å; G128-K165 WeakPolarHBondContact O-CE 3.21Å; G128-K165 PolarHBondContact O-NZ 3.28Å; G130-K165 WeakPolarHBondContact O-CE 3.35Å; G130-K165 PolarHBondContact O-NZ 2.97Å; D132-K165 HydrophobicContact CB-CG 3.72Å; D158-K165 IonicContact OD1-NZ 3.35Å; D158-K165 PolarHBondContact OD1-NZ 2.75Å; D158-K165 WeakPolarHBondContact OD2-CD 3.44Å; D158-K165 IonicContact OD2-NZ 3.26Å; D158-K165 PolarHBondContact OD2-NZ 3.17Å; H160-K165 WeakPolarHBondContact O-CE 3.4Å; S162-K165 PolarHBondContact O-N 2.97Å; S162-K165 PolarHBondContact OG-N 3.43Å; Y163-K165 VanDerWaalsContact C-N 3.35Å; Y163-K165 PolarHBondContact O-N 3.24Å; K165-N167 VanDerWaalsContact C-N 3.32Å; K165-N167 PolarHBondContact O-N 3.06Å; K165-R168 PolarHBondContact O-N 3.38Å; K165-A169 WeakPolarHBondContact O-CB 3.48Å; K165-A169 PolarHBondContact O-N 3.02Å
166L98.6Very high97.9Very high33 Ų3346.3 Ų46.317%0.17323%0.228CC..Hα-helixtrans-59.9-44.4174.9179.459.7000111.3F161 S162 Y163 A169 L170 A206 V207 A210F161-L166 HydrophobicContact CE2-CB 4.16Å; F161-L166 HydrophobicContact CZ-CB 3.97Å; F161-L166 HydrophobicContact CZ-CD1 4.29Å; F161-L166 HydrophobicContact CZ-CD2 4.45Å; F161-L166 HydrophobicContact CZ-CG 4.47Å; S162-L166 PolarHBondContact O-N 2.95Å; S162-L166 VanDerWaalsContact O-N 3.08Å; Y163-L166 WeakPolarHBondContact O-CB 3.4Å; Y163-L166 PolarHBondContact O-N 2.79Å; L166-A169 PolarHBondContact O-N 3.12Å; L166-L170 PolarHBondContact O-N 3.06Å; L166-A206 HydrophobicContact CD1-CB 4.4Å; L166-A206 HydrophobicContact CD2-CB 4.41Å; L166-V207 HydrophobicContact CD1-CB 4.29Å; L166-V207 HydrophobicContact CD1-CG2 3.85Å; L166-A210 HydrophobicContact CD1-CB 3.74Å; L166-A210 HydrophobicContact CG-CB 4.23Å
167N98.4Very high97.8Very high11 Ų1152.7 Ų52.76%0.05926%0.262CS..Hα-helixtrans-61.9-47.3177.1178.868.3000111.5W141 Y163 M164 K165 A169 L170 Q171W141-N167 PolarHBondContact O-ND2 3.4Å; Y163-N167 HydrophobicContact CE1-CB 4.38Å; Y163-N167 WeakPolarHBondContact O-CB 3.36Å; Y163-N167 PolarHBondContact O-N 3.02Å; M164-N167 PolarHBondContact O-N 3.28Å; K165-N167 VanDerWaalsContact C-N 3.32Å; K165-N167 PolarHBondContact O-N 3.06Å; N167-A169 VanDerWaalsContact C-N 3.34Å; N167-A169 PolarHBondContact O-N 3.05Å; N167-L170 WeakPolarHBondContact O-CB 3.47Å; N167-L170 PolarHBondContact O-N 3.2Å; N167-Q171 VanDerWaalsContact O-CG 3.32Å; N167-Q171 WeakPolarHBondContact O-CG 3.17Å; N167-Q171 PolarHBondContact O-N 3Å; N167-Q171 PolarHBondContact OD1-NE2 3.25Å
168R98.4Very high97.9Very high50 Ų5050.8 Ų50.819%0.18925%0.254CS..Hα-helixtrans-60.8-42.6176.4-73.6177.8-177.1-77.9-1112.2Y108 D132 V144 P145 M164 K165 L170 Q171 Y172Y108-R168 HydrophobicContact CE1-CB 3.95Å; Y108-R168 HydrophobicContact CE2-CB 4.09Å; D132-R168 WeakPolarHBondContact OD2-CD 3.28Å; D132-R168 IonicContact OD2-CZ 2.78Å; D132-R168 IonicContact OD2-NE 2.79Å; D132-R168 PolarHBondContact OD2-NE 2.94Å; V144-R168 HydrophobicContact CG1-CG 4.17Å; V144-R168 HydrophobicContact CG2-CG 4.26Å; V144-R168 VanDerWaalsContact CG2-NH1 3.3Å; P145-R168 PolarHBondContact O-NH1 2.99Å; M164-R168 WeakPolarHBondContact O-CG 3.21Å; M164-R168 PolarHBondContact O-N 2.92Å; K165-R168 PolarHBondContact O-N 3.38Å; R168-L170 VanDerWaalsContact C-N 3.35Å; R168-L170 PolarHBondContact O-N 2.65Å; R168-Q171 PolarHBondContact O-N 2.9Å; R168-Y172 WeakPolarHBondContact O-CD2 3.49Å; R168-Y172 PolarHBondContact O-N 2.77Å
169A98.6Very high97.9Very high0 Ų053.3 Ų53.30%027%0.267CS..Hα-helixtrans-58.5-46.6174.100000111.6Y108 I110 V153 K165 L166 N167 Q171 Y172 L173 V207Y108-A169 HydrophobicContact CD1-CB 4.3Å; Y108-A169 HydrophobicContact CE1-CB 4.11Å; I110-A169 HydrophobicContact CD1-CB 3.77Å; V153-A169 HydrophobicContact CG1-CB 3.92Å; V153-A169 HydrophobicContact CG2-CB 4.5Å; K165-A169 WeakPolarHBondContact O-CB 3.48Å; K165-A169 PolarHBondContact O-N 3.02Å; L166-A169 PolarHBondContact O-N 3.12Å; N167-A169 VanDerWaalsContact C-N 3.34Å; N167-A169 PolarHBondContact O-N 3.05Å; A169-Q171 VanDerWaalsContact C-N 3.34Å; A169-Q171 PolarHBondContact O-N 3.04Å; A169-Y172 PolarHBondContact O-N 2.95Å; A169-L173 HydrophobicContact CB-CD1 4.42Å; A169-L173 VanDerWaalsContact O-CB 3.27Å; A169-L173 WeakPolarHBondContact O-CB 3.38Å; A169-L173 WeakPolarHBondContact O-CD1 3.49Å; A169-L173 WeakPolarHBondContact O-CG 3.47Å; A169-L173 PolarHBondContact O-N 2.93Å; A169-V207 HydrophobicContact CB-CG1 4.16Å
170L98.5Very high98.1Very high47 Ų4746.4 Ų46.425%0.24624%0.235CC..Hα-helixtrans-53.5-50.7172.7167.667.1000111.3L166 N167 R168 Y172 L173 N174 A210L166-L170 PolarHBondContact O-N 3.06Å; N167-L170 WeakPolarHBondContact O-CB 3.47Å; N167-L170 PolarHBondContact O-N 3.2Å; R168-L170 VanDerWaalsContact C-N 3.35Å; R168-L170 PolarHBondContact O-N 2.65Å; L170-Y172 PolarHBondContact O-N 2.92Å; L170-L173 PolarHBondContact O-N 2.87Å; L170-L173 VanDerWaalsContact O-N 3.08Å; L170-N174 PolarHBondContact O-N 2.85Å; L170-A210 HydrophobicContact CB-CB 4.41Å; L170-A210 VanDerWaalsContact CD1-O 3.25Å; L170-A210 WeakPolarHBondContact CD1-O 3.3Å
171Q98.3Very high98.2Very high42 Ų4243 Ų4320%0.19622%0.219CC..Hα-helixtrans-61.9-40.5-178-61.8-49.3-32.600112.5V144 L146 N167 R168 A169 N174V144-Q171 HydrophobicContact CG1-CB 4.49Å; V144-Q171 HydrophobicContact CG1-CG 3.88Å; L146-Q171 HydrophobicContact CD1-CB 3.82Å; L146-Q171 HydrophobicContact CD2-CB 3.89Å; L146-Q171 HydrophobicContact CG-CB 4.36Å; N167-Q171 VanDerWaalsContact O-CG 3.32Å; N167-Q171 WeakPolarHBondContact O-CG 3.17Å; N167-Q171 PolarHBondContact O-N 3Å; N167-Q171 PolarHBondContact OD1-NE2 3.25Å; R168-Q171 PolarHBondContact O-N 2.9Å; A169-Q171 VanDerWaalsContact C-N 3.34Å; A169-Q171 PolarHBondContact O-N 3.04Å; Q171-N174 PolarHBondContact OE1-ND2 2.74Å
172Y98.7Very high98.2Very high18 Ų1839.7 Ų39.77%0.07121%0.205CC..Hα-helixtrans-65.6-37.4172.9-75.3-60.9000112.7Y108 L146 D147 V150 R168 A169 L170 N175 C178Y108-Y172 AromaticContact CD1-CD2 3.97Å; Y108-Y172 HydrophobicContact CD1-CD2 3.97Å; Y108-Y172 HydrophobicContact CD1-CE2 4.22Å; Y108-Y172 HydrophobicContact CD2-CD2 4.1Å; Y108-Y172 AromaticContact CD2-CE2 3.51Å; Y108-Y172 HydrophobicContact CD2-CE2 3.51Å; Y108-Y172 HydrophobicContact CE2-CE2 4.22Å; Y108-Y172 AromaticContact CG-CD2 3.65Å; Y108-Y172 HydrophobicContact CG-CD2 3.65Å; Y108-Y172 AromaticContact CG-CE2 3.53Å; Y108-Y172 HydrophobicContact CG-CE2 3.53Å; L146-Y172 HydrophobicContact CB-CD1 4.32Å; L146-Y172 HydrophobicContact CB-CE1 3.64Å; L146-Y172 HydrophobicContact CD1-CD1 4.16Å; L146-Y172 HydrophobicContact CD1-CE1 4.29Å; L146-Y172 HydrophobicContact CD2-CD1 4.3Å; L146-Y172 HydrophobicContact CD2-CD2 4.28Å; L146-Y172 HydrophobicContact CD2-CE1 3.98Å; L146-Y172 HydrophobicContact CD2-CE2 3.95Å; L146-Y172 HydrophobicContact CD2-CG 4.44Å; L146-Y172 HydrophobicContact CG-CE1 4.17Å; D147-Y172 PolarHBondContact N-OH 3.04Å; D147-Y172 WeakPolarHBondContact O-CE1 3.29Å; V150-Y172 HydrophobicContact CB-CD1 3.81Å; V150-Y172 HydrophobicContact CB-CE1 3.48Å; V150-Y172 VanDerWaalsContact CB-CE1 3.48Å; V150-Y172 HydrophobicContact CG1-CD1 3.62Å; V150-Y172 HydrophobicContact CG1-CD2 4.31Å; V150-Y172 HydrophobicContact CG1-CE1 3.74Å; V150-Y172 HydrophobicContact CG1-CE2 4.41Å; V150-Y172 HydrophobicContact CG1-CG 3.93Å; V150-Y172 HydrophobicContact CG2-CE1 3.85Å; R168-Y172 WeakPolarHBondContact O-CD2 3.49Å; R168-Y172 PolarHBondContact O-N 2.77Å; A169-Y172 PolarHBondContact O-N 2.95Å; L170-Y172 PolarHBondContact O-N 2.92Å; Y172-N175 PolarHBondContact O-N 3.38Å; Y172-C178 VanDerWaalsContact O-CB 3.27Å; Y172-C178 WeakPolarHBondContact O-CB 3.28Å
173L98.6Very high98.2Very high5 Ų538.4 Ų38.43%0.02620%0.195CC..Hα-helixtrans-82.7-11.3-174-69.4166000114.2V153 A169 L170 N175 L180 V207 A211 R213V153-L173 HydrophobicContact CB-CD1 4.15Å; V153-L173 HydrophobicContact CB-CD2 4.07Å; V153-L173 HydrophobicContact CB-CG 4.16Å; V153-L173 HydrophobicContact CG1-CD1 4.3Å; V153-L173 HydrophobicContact CG2-CD1 4.07Å; V153-L173 HydrophobicContact CG2-CD2 3.93Å; V153-L173 HydrophobicContact CG2-CG 3.71Å; A169-L173 HydrophobicContact CB-CD1 4.42Å; A169-L173 VanDerWaalsContact O-CB 3.27Å; A169-L173 WeakPolarHBondContact O-CB 3.38Å; A169-L173 WeakPolarHBondContact O-CD1 3.49Å; A169-L173 WeakPolarHBondContact O-CG 3.47Å; A169-L173 PolarHBondContact O-N 2.93Å; L170-L173 PolarHBondContact O-N 2.87Å; L170-L173 VanDerWaalsContact O-N 3.08Å; L173-N175 PolarHBondContact O-N 3.14Å; L173-L180 HydrophobicContact CD1-CD1 3.85Å; L173-L180 HydrophobicContact CD1-CD2 4.31Å; L173-L180 HydrophobicContact CD1-CG 4.48Å; L173-L180 HydrophobicContact CD2-CB 3.8Å; L173-L180 HydrophobicContact CD2-CD1 4.31Å; L173-L180 HydrophobicContact CD2-CG 4.46Å; L173-V207 HydrophobicContact CD1-CG1 3.85Å; L173-A211 HydrophobicContact CB-CB 3.89Å; L173-A211 HydrophobicContact CD1-CB 3.57Å; L173-A211 HydrophobicContact CG-CB 4.32Å; L173-R213 PolarHBondContact O-NH1 2.91Å; L173-R213 VanDerWaalsContact O-NH1 3.07Å
174N97.6Very high98.1Very high103 Ų10332.9 Ų32.955%0.55117%0.174SC*.THydrogen-bonded Turntrans-59-25.3165.5-75.6-23.2000111.8L170 Q171 P176L170-N174 PolarHBondContact O-N 2.85Å; Q171-N174 PolarHBondContact OE1-ND2 2.74Å; N174-P176 WeakPolarHBondContact O-CD 3.34Å
175N97.5Very high98Very high66 Ų6636 Ų3635%0.35319%0.193SC..SBendtrans-76.1115.9165.5-178.8-5.4000109.6Y172 L173 D177 C178 R213Y172-N175 PolarHBondContact O-N 3.38Å; L173-N175 PolarHBondContact O-N 3.14Å; N175-D177 PolarHBondContact O-N 3.28Å; N175-D177 PolarHBondContact OD1-N 3.37Å; N175-C178 HydrophobicContact CB-CB 4.13Å; N175-C178 WeakPolarHBondContact O-CB 3.39Å; N175-C178 PolarHBondContact O-N 3.07Å; N175-R213 PolarHBondContact O-NH1 2.61Å
176P96.8Very high97.7Very high99 Ų9936.8 Ų36.864%0.64320%0.198SC*.THydrogen-bonded Turntrans-61.9-27-178.726.3-35.4000113.2N174 C178 R213N174-P176 WeakPolarHBondContact O-CD 3.34Å; P176-C178 VanDerWaalsContact C-N 3.32Å; P176-R213 PolarHBondContact O-NH2 3.28Å
177D97.2Very high97.3Very high134 Ų13438.7 Ų38.772%0.71721%0.211SC*.THydrogen-bonded Turntrans-80.9-13.3179.7-60.6-31.9000112.8N175 L179N175-D177 PolarHBondContact O-N 3.28Å; N175-D177 PolarHBondContact OD1-N 3.37Å; D177-L179 PolarHBondContact O-N 3.33Å
178C98.6Very high96.8Very high1 Ų146.5 Ų46.51%0.00724%0.239CC..SBendtrans-71.7124173.8-171.40000109.3K151 Y172 N175 P176 R213K151-C178 WeakPolarHBondContact O-CA 3.11Å; Y172-C178 VanDerWaalsContact O-CB 3.27Å; Y172-C178 WeakPolarHBondContact O-CB 3.28Å; N175-C178 HydrophobicContact CB-CB 4.13Å; N175-C178 WeakPolarHBondContact O-CB 3.39Å; N175-C178 PolarHBondContact O-N 3.07Å; P176-C178 VanDerWaalsContact C-N 3.32Å; C178-R213 VanDerWaalsContact O-CZ 3.28Å; C178-R213 PolarHBondContact O-NH1 2.89Å; C178-R213 PolarHBondContact O-NH2 3.33Å
179L98.7Very high96.1Very high61 Ų6146.1 Ų46.132%0.31924%0.241SC..EExtended strand (participates in β ladder)trans-71.7146-178.6-57.9177.1000111.2L103 K151 A152 V153 D177 V181L103-L179 HydrophobicContact CD1-CD1 4.15Å; K151-L179 PolarHBondContact O-N 3.22Å; A152-L179 CarbonylContact C-O 3.5Å; A152-L179 WeakPolarHBondContact CA-O 3.3Å; A152-L179 HydrophobicContact CB-CB 3.89Å; V153-L179 PolarHBondContact N-O 2.95Å; D177-L179 PolarHBondContact O-N 3.33Å; L179-V181 HydrophobicContact CB-CG2 4.44Å
180L98.8Very high95.1Very high10 Ų1050.4 Ų50.45%0.05227%0.269CS..EExtended strand (participates in β ladder)trans-116.5114169179.755.3000109.4V153 V155 L173 V207 E208 A211 R213 A215 Q216V153-L180 HydrophobicContact CB-CD1 4.29Å; V153-L180 HydrophobicContact CG1-CD1 4.23Å; V155-L180 HydrophobicContact CG2-CD1 4.2Å; L173-L180 HydrophobicContact CD1-CD1 3.85Å; L173-L180 HydrophobicContact CD1-CD2 4.31Å; L173-L180 HydrophobicContact CD1-CG 4.48Å; L173-L180 HydrophobicContact CD2-CB 3.8Å; L173-L180 HydrophobicContact CD2-CD1 4.31Å; L173-L180 HydrophobicContact CD2-CG 4.46Å; L180-V207 HydrophobicContact CD1-CG1 3.83Å; L180-E208 HydrophobicContact CD2-CG 4.13Å; L180-A211 HydrophobicContact CD2-CB 4.47Å; L180-R213 HydrophobicContact CD2-CB 4.2Å; L180-A215 HydrophobicContact CD1-CB 4.44Å; L180-A215 HydrophobicContact CD2-CB 4.06Å; L180-A215 HydrophobicContact CG-CB 3.67Å; L180-A215 WeakPolarHBondContact O-CA 3.44Å; L180-Q216 PolarHBondContact O-N 3.26Å
181V98.7Very high94.2Very high2 Ų252.8 Ų52.81%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-123.5129.9-176.4-1780000110.2Y96 L97 V153 V154 V155 L179 Q216 V218Y96-V181 HydrophobicContact CD1-CG1 4.2Å; Y96-V181 HydrophobicContact CD1-CG2 4.34Å; Y96-V181 HydrophobicContact CE1-CG1 4.41Å; Y96-V181 HydrophobicContact CE1-CG2 3.95Å; L97-V181 HydrophobicContact CD2-CG2 4.15Å; V153-V181 PolarHBondContact O-N 3.07Å; V154-V181 CarbonylContact C-O 3.53Å; V154-V181 WeakPolarHBondContact CA-O 3.39Å; V154-V181 HydrophobicContact CG2-CB 4.26Å; V155-V181 PolarHBondContact N-O 2.77Å; L179-V181 HydrophobicContact CB-CG2 4.44Å; V181-Q216 CarbonylContact C-O 3.52Å; V181-Q216 VanDerWaalsContact CA-O 3.32Å; V181-Q216 WeakPolarHBondContact CA-O 3.47Å; V181-V218 HydrophobicContact CG1-CG2 3.56Å
182G98.3Very high93.1Very high0 Ų057.8 Ų57.80%030%0.304CS..EExtended strand (participates in β ladder)trans-109.2137.8174.500000111.6V155 Q216 T217 V218V155-G182 WeakPolarHBondContact O-CA 3.45Å; G182-Q216 PolarHBondContact N-O 3.33Å; G182-T217 CarbonylContact O-C 3.55Å; G182-T217 VanDerWaalsContact O-CA 3.26Å; G182-T217 WeakPolarHBondContact O-CA 3.42Å; G182-V218 PolarHBondContact O-N 3.3Å
183T97.9Very high91.9Very high0 Ų060.8 Ų60.80%034%0.341CS..SBendtrans-67.8-42.4177.159.30000112.1T89 M115 V155 G156 T200 G219T89-T183 VanDerWaalsContact CG2-O 3.3Å; T89-T183 WeakPolarHBondContact CG2-O 3.44Å; M115-T183 HydrophobicContact CE-CG2 3.26Å; M115-T183 HydrophobicContact SD-CG2 3.92Å; V155-T183 PolarHBondContact O-N 2.85Å; V155-T183 PolarHBondContact O-OG1 3.44Å; G156-T183 WeakPolarHBondContact CA-OG1 3.25Å; T183-T200 WeakPolarHBondContact OG1-CG2 3.22Å; T183-G219 VanDerWaalsContact O-CA 3.22Å; T183-G219 WeakPolarHBondContact O-CA 3.45Å; T183-G219 PolarHBondContact O-N 2.85Å
184N96.3Very high90.9Very high5 Ų564.5 Ų64.53%0.02738%0.38CS..  trans-163.6173.7177.265.477.8000110.1N61 D186 T200N61-N184 HydrophobicContact CB-CB 3.97Å; N61-N184 PolarHBondContact O-ND2 3.45Å; N184-D186 VanDerWaalsContact OD1-CB 3.31Å; N184-D186 WeakPolarHBondContact OD1-CB 3.38Å; N184-D186 PolarHBondContact OD1-N 2.82Å; N184-T200 PolarHBondContact ND2-OG1 3.03Å; N184-T200 WeakPolarHBondContact OD1-CB 3.41Å
185T95.3Very high90.1Very high69 Ų6966.9 Ų66.942%0.42339%0.386SS..  trans-108.715.2179.354.20000113.5T187 L204 T217T185-T187 PolarHBondContact O-N 2.61Å; T185-L204 HydrophobicContact CG2-CD2 4.15Å; T185-T217 HydrophobicContact CG2-CG2 3.7Å
186D92.3Very high89.6Confident17 Ų1765.7 Ų65.79%0.09139%0.386CS..  trans-69.2120.6-175.3-63.6-32.1000110.4N61 N184 G199 T200 G201 R246 T249N61-D186 WeakPolarHBondContact CB-OD2 3.4Å; N61-D186 PolarHBondContact ND2-OD2 3.48Å; N184-D186 VanDerWaalsContact OD1-CB 3.31Å; N184-D186 WeakPolarHBondContact OD1-CB 3.38Å; N184-D186 PolarHBondContact OD1-N 2.82Å; D186-G199 CarbonylContact O-C 3.15Å; D186-G199 VanDerWaalsContact O-CA 3.22Å; D186-G199 WeakPolarHBondContact O-CA 3.4Å; D186-T200 PolarHBondContact O-N 2.92Å; D186-T200 VanDerWaalsContact O-N 3.1Å; D186-G201 WeakPolarHBondContact O-CA 3.26Å; D186-G201 PolarHBondContact O-N 2.92Å; D186-R246 IonicContact OD1-CZ 3.35Å; D186-R246 IonicContact OD1-NH1 3.35Å; D186-R246 PolarHBondContact OD1-NH1 2.8Å; D186-T249 WeakPolarHBondContact OD1-CG2 3.23Å
187T90.7Very high89.3Confident73 Ų7363.8 Ų63.845%0.44837%0.372SS..  trans-84.5-16.6-174.8560000112.9T185 G199 C202T185-T187 PolarHBondContact O-N 2.61Å; T187-G199 PolarHBondContact O-N 3.43Å; T187-C202 PolarHBondContact O-SG 2.61Å
188R87.3Confident89.1Confident174 Ų17461.7 Ų61.766%0.65737%0.365SS*.EExtended strand (participates in β ladder)trans-135.4138.8-177.7-66.4-178.8178.8-89.7-0.1110.4A196 V197R188-A196 HydrophobicContact CB-CB 4.31Å; R188-V197 WeakPolarHBondContact CA-O 3.39Å
189L83.5Confident88.9Confident43 Ų4361.6 Ų61.623%0.22537%0.365CS..EExtended strand (participates in β ladder)trans-104.6112.9163-66.5169.8000107.6F157 A196 V197F157-L189 HydrophobicContact CD2-CD1 3.54Å; F157-L189 HydrophobicContact CE2-CD1 3.47Å; F157-L189 VanDerWaalsContact CE2-CD1 3.47Å; F157-L189 HydrophobicContact CG-CD1 4.19Å; F157-L189 HydrophobicContact CZ-CD1 4.07Å; L189-A196 VanDerWaalsContact O-CA 3.27Å; L189-A196 WeakPolarHBondContact O-CA 3.27Å; L189-V197 HydrophobicContact CB-CG2 3.79Å; L189-V197 HydrophobicContact CD1-CG2 4.2Å; L189-V197 PolarHBondContact N-O 2.8Å; L189-V197 PolarHBondContact O-N 2.72Å
190P77.9Confident88.8Confident89 Ų8958.9 Ų58.958%0.57835%0.351SS*.EExtended strand (participates in β ladder)trans-69.2144.9-178.827.9-32.9000111.4
191L78.9Confident88.7Confident98 Ų9858.8 Ų58.851%0.51335%0.352SS..  trans-126.7166.7174.3-62.2178.2000109.9K195 V197L191-K195 HydrophobicContact CB-CB 4.13Å; L191-K195 PolarHBondContact N-O 2.78Å; L191-V197 HydrophobicContact CD1-CG1 3.82Å
192E74.7Confident88.7Confident146 Ų14661.4 Ų61.468%0.68237%0.37SS*.G310 helixtrans-58.6149.9176.6-66.7-176176.800112.8G194E192-G194 VanDerWaalsContact C-N 3.35Å; E192-G194 PolarHBondContact O-N 2.65Å
193G75.5Confident88.7Confident82 Ų8262.1 Ų62.185%0.84537%0.374SS*.G310 helixtrans71.424.5178.900000114.7K195G193-K195 VanDerWaalsContact C-N 3.26Å; G193-K195 PolarHBondContact O-N 3.25Å
194G75.9Confident88.7Confident82 Ų8262.2 Ų62.285%0.84537%0.374SS*.G310 helixtrans74.713.9177.700000114.3E192E192-G194 VanDerWaalsContact C-N 3.35Å; E192-G194 PolarHBondContact O-N 2.65Å
195K82Confident88.8Confident153 Ų15367 Ų6767%0.66540%0.395SS*.  trans-84.2160.2175.4-66179.1-178.2175.80110.2L191 G193L191-K195 HydrophobicContact CB-CB 4.13Å; L191-K195 PolarHBondContact N-O 2.78Å; G193-K195 VanDerWaalsContact C-N 3.26Å; G193-K195 PolarHBondContact O-N 3.25Å
196A86.1Confident89Confident42 Ų4265.2 Ų65.235%0.34739%0.387SS..EExtended strand (participates in β ladder)trans-150.4154.3173.600000110.7R188 L189R188-A196 HydrophobicContact CB-CB 4.31Å; L189-A196 VanDerWaalsContact O-CA 3.27Å; L189-A196 WeakPolarHBondContact O-CA 3.27Å
197V90.6Very high89.3Confident59 Ų5964.4 Ų64.436%0.35838%0.383SS..EExtended strand (participates in β ladder)trans-114.2159.3168.3-63.50000110.2R188 L189 L191 G199R188-V197 WeakPolarHBondContact CA-O 3.39Å; L189-V197 HydrophobicContact CB-CG2 3.79Å; L189-V197 HydrophobicContact CD1-CG2 4.2Å; L189-V197 PolarHBondContact N-O 2.8Å; L189-V197 PolarHBondContact O-N 2.72Å; L191-V197 HydrophobicContact CD1-CG1 3.82Å; V197-G199 PolarHBondContact O-N 2.66Å
198P94.2Very high89.7Confident89 Ų8961.5 Ų61.558%0.57836%0.364SS*.EExtended strand (participates in β ladder)trans-56.1133.1176-25.735.7000111.7F157 C202F157-P198 WeakPolarHBondContact CE2-O 3.32Å; P198-C202 HydrophobicContact CB-CB 4.18Å
199G94Very high90.2Very high0 Ų058.1 Ų58.10%036%0.363CS..  trans-90.4-177175.600000113.2D186 T187 V197 G201 C202D186-G199 CarbonylContact O-C 3.15Å; D186-G199 VanDerWaalsContact O-CA 3.22Å; D186-G199 WeakPolarHBondContact O-CA 3.4Å; T187-G199 PolarHBondContact O-N 3.43Å; V197-G199 PolarHBondContact O-N 2.66Å; G199-G201 PolarHBondContact O-N 3.48Å; G199-C202 WeakPolarHBondContact O-CB 3.49Å; G199-C202 PolarHBondContact O-N 2.71Å; G199-C202 VanDerWaalsContact O-N 3.16Å
200T96.9Very high90.9Very high4 Ų457.6 Ų57.63%0.02537%0.365CS..Hα-helixtrans-60-34.6-178.5-570000112.2F157 T183 N184 D186 C202 I203 L204F157-T200 PolarHBondContact N-OG1 2.72Å; F157-T200 VanDerWaalsContact N-OG1 3.11Å; T183-T200 WeakPolarHBondContact OG1-CG2 3.22Å; N184-T200 PolarHBondContact ND2-OG1 3.03Å; N184-T200 WeakPolarHBondContact OD1-CB 3.41Å; D186-T200 PolarHBondContact O-N 2.92Å; D186-T200 VanDerWaalsContact O-N 3.1Å; T200-C202 PolarHBondContact O-N 2.93Å; T200-C202 VanDerWaalsContact O-N 3.15Å; T200-I203 PolarHBondContact O-N 3.43Å; T200-L204 WeakPolarHBondContact O-CB 3.42Å; T200-L204 PolarHBondContact O-N 3.5Å
201G96.8Very high91.9Very high8 Ų854 Ų548%0.08234%0.343CS..Hα-helixtrans-55-33.6178.700000113.1D186 G199 K205D186-G201 WeakPolarHBondContact O-CA 3.26Å; D186-G201 PolarHBondContact O-N 2.92Å; G199-G201 PolarHBondContact O-N 3.48Å; G201-K205 WeakPolarHBondContact O-CB 3.35Å; G201-K205 PolarHBondContact O-N 3.22Å
202C97.8Very high92.8Very high57 Ų5757.9 Ų57.939%0.38536%0.358SS..Hα-helixtrans-67.6-44.5176.5-62.70000111.9T187 P198 G199 T200 K205 A206T187-C202 PolarHBondContact O-SG 2.61Å; P198-C202 HydrophobicContact CB-CB 4.18Å; G199-C202 WeakPolarHBondContact O-CB 3.49Å; G199-C202 PolarHBondContact O-N 2.71Å; G199-C202 VanDerWaalsContact O-N 3.16Å; T200-C202 PolarHBondContact O-N 2.93Å; T200-C202 VanDerWaalsContact O-N 3.15Å; C202-K205 PolarHBondContact O-N 2.97Å; C202-A206 PolarHBondContact O-N 3.01Å
203I98.6Very high93.9Very high14 Ų1454.2 Ų54.27%0.07234%0.338CS..Hα-helixtrans-65.9-47.4177.4-58.1175.2000109.7I110 V155 D158 F161 T200 K205 A206 V207I110-I203 HydrophobicContact CG2-CG2 3.83Å; V155-I203 HydrophobicContact CG1-CB 4.23Å; V155-I203 HydrophobicContact CG1-CG2 3.6Å; D158-I203 HydrophobicContact CB-CD1 4.25Å; F161-I203 HydrophobicContact CB-CD1 4.19Å; F161-I203 HydrophobicContact CB-CG1 4.39Å; F161-I203 HydrophobicContact CD1-CG1 4.31Å; F161-I203 HydrophobicContact CD1-CG2 4.32Å; F161-I203 HydrophobicContact CD2-CG2 3.52Å; F161-I203 HydrophobicContact CE1-CG2 4.4Å; F161-I203 HydrophobicContact CE2-CG2 3.63Å; F161-I203 HydrophobicContact CG-CD1 4.5Å; F161-I203 HydrophobicContact CG-CG1 4.22Å; F161-I203 HydrophobicContact CG-CG2 3.87Å; F161-I203 HydrophobicContact CZ-CG2 4.07Å; T200-I203 PolarHBondContact O-N 3.43Å; I203-K205 VanDerWaalsContact C-N 3.29Å; I203-K205 PolarHBondContact O-N 2.85Å; I203-A206 WeakPolarHBondContact O-CB 3.3Å; I203-A206 PolarHBondContact O-N 3.28Å; I203-V207 WeakPolarHBondContact O-CG2 3.34Å; I203-V207 PolarHBondContact O-N 2.78Å; I203-V207 VanDerWaalsContact O-N 3.08Å
204L98.5Very high94.9Very high2 Ų256.7 Ų56.71%0.0133%0.328CS..Hα-helixtrans-57.1-44.4178.6-17364.8000110.9V155 T185 T200 A206 V207 E208 A215 T217V155-L204 HydrophobicContact CB-CD1 3.81Å; V155-L204 HydrophobicContact CG1-CB 4.31Å; V155-L204 HydrophobicContact CG1-CD1 4.14Å; V155-L204 HydrophobicContact CG2-CD1 4.15Å; T185-L204 HydrophobicContact CG2-CD2 4.15Å; T200-L204 WeakPolarHBondContact O-CB 3.42Å; T200-L204 PolarHBondContact O-N 3.5Å; L204-A206 VanDerWaalsContact C-N 3.33Å; L204-A206 PolarHBondContact O-N 2.92Å; L204-V207 PolarHBondContact O-N 2.92Å; L204-E208 HydrophobicContact CD1-CG 4.42Å; L204-E208 HydrophobicContact CG-CG 4.27Å; L204-E208 WeakPolarHBondContact O-CB 3.16Å; L204-E208 WeakPolarHBondContact O-CG 3.46Å; L204-E208 PolarHBondContact O-N 3.22Å; L204-A215 HydrophobicContact CD1-CB 3.63Å; L204-A215 HydrophobicContact CD2-CB 4.37Å; L204-A215 HydrophobicContact CG-CB 4.32Å; L204-T217 HydrophobicContact CD2-CG2 4.1Å
205K98.5Very high96Very high106 Ų10653.5 Ų53.546%0.46129%0.293SS..Hα-helixtrans-68-32.8-178.6-137.948.1165.8179.80113.2G201 C202 I203 E208 T209G201-K205 WeakPolarHBondContact O-CB 3.35Å; G201-K205 PolarHBondContact O-N 3.22Å; C202-K205 PolarHBondContact O-N 2.97Å; I203-K205 VanDerWaalsContact C-N 3.29Å; I203-K205 PolarHBondContact O-N 2.85Å; K205-E208 WeakPolarHBondContact CD-OE2 3.32Å; K205-E208 WeakPolarHBondContact CE-OE2 3.39Å; K205-E208 IonicContact NZ-OE2 3.43Å; K205-E208 PolarHBondContact NZ-OE2 3.5Å; K205-T209 VanDerWaalsContact O-CB 3.27Å; K205-T209 WeakPolarHBondContact O-CB 3.33Å; K205-T209 PolarHBondContact O-N 2.87Å; K205-T209 PolarHBondContact O-OG1 3.27Å
206A98.7Very high96.7Very high31 Ų3150.3 Ų50.326%0.25628%0.281SS..Hα-helixtrans-63.2-46.6170.900000111.3F161 L166 C202 I203 L204 T209 A210F161-A206 HydrophobicContact CE1-CB 4.21Å; F161-A206 HydrophobicContact CZ-CB 3.97Å; L166-A206 HydrophobicContact CD1-CB 4.4Å; L166-A206 HydrophobicContact CD2-CB 4.41Å; C202-A206 PolarHBondContact O-N 3.01Å; I203-A206 WeakPolarHBondContact O-CB 3.3Å; I203-A206 PolarHBondContact O-N 3.28Å; L204-A206 VanDerWaalsContact C-N 3.33Å; L204-A206 PolarHBondContact O-N 2.92Å; A206-T209 PolarHBondContact O-N 3.42Å; A206-A210 PolarHBondContact O-N 3.24Å
207V98.8Very high97.2Very high1 Ų149.9 Ų49.91%0.00627%0.274CS..Hα-helixtrans-64.6-47178.8177.20000111.6I110 V155 F161 L166 A169 L173 L180 I203 L204 T209 A210 A211I110-V207 HydrophobicContact CD1-CG2 3.82Å; V155-V207 HydrophobicContact CG1-CG2 4.48Å; V155-V207 HydrophobicContact CG2-CB 4.21Å; V155-V207 HydrophobicContact CG2-CG1 4.03Å; V155-V207 HydrophobicContact CG2-CG2 4.06Å; F161-V207 HydrophobicContact CE2-CG2 4.32Å; L166-V207 HydrophobicContact CD1-CB 4.29Å; L166-V207 HydrophobicContact CD1-CG2 3.85Å; A169-V207 HydrophobicContact CB-CG1 4.16Å; L173-V207 HydrophobicContact CD1-CG1 3.85Å; L180-V207 HydrophobicContact CD1-CG1 3.83Å; I203-V207 WeakPolarHBondContact O-CG2 3.34Å; I203-V207 PolarHBondContact O-N 2.78Å; I203-V207 VanDerWaalsContact O-N 3.08Å; L204-V207 PolarHBondContact O-N 2.92Å; V207-T209 VanDerWaalsContact C-N 3.29Å; V207-T209 PolarHBondContact O-N 3.42Å; V207-A210 PolarHBondContact O-N 3.4Å; V207-A211 VanDerWaalsContact O-CB 3.24Å; V207-A211 WeakPolarHBondContact O-CB 3.19Å; V207-A211 PolarHBondContact O-N 3.4Å
208E98.8Very high97.4Very high11 Ų1147 Ų475%0.05126%0.257CS..Hα-helixtrans-60.4-39.2177.3-73.2-177.4143.800112.3L180 L204 K205 Q212 R213 A215L180-E208 HydrophobicContact CD2-CG 4.13Å; L204-E208 HydrophobicContact CD1-CG 4.42Å; L204-E208 HydrophobicContact CG-CG 4.27Å; L204-E208 WeakPolarHBondContact O-CB 3.16Å; L204-E208 WeakPolarHBondContact O-CG 3.46Å; L204-E208 PolarHBondContact O-N 3.22Å; K205-E208 WeakPolarHBondContact CD-OE2 3.32Å; K205-E208 WeakPolarHBondContact CE-OE2 3.39Å; K205-E208 IonicContact NZ-OE2 3.43Å; K205-E208 PolarHBondContact NZ-OE2 3.5Å; E208-Q212 WeakPolarHBondContact O-CA 3.43Å; E208-Q212 PolarHBondContact O-N 3.08Å; E208-R213 VanDerWaalsContact CA-O 3.25Å; E208-R213 WeakPolarHBondContact CA-O 3.16Å; E208-R213 WeakPolarHBondContact CB-O 3.32Å; E208-R213 WeakPolarHBondContact CG-O 3.34Å; E208-R213 PolarHBondContact O-N 3.16Å; E208-A215 HydrophobicContact CG-CB 4.17Å; E208-A215 WeakPolarHBondContact OE1-CB 3.25Å; E208-A215 PolarHBondContact OE1-N 3.26Å
209T98.7Very high97.5Very high103 Ų10342.8 Ų42.863%0.63223%0.229SC*.Hα-helixtrans-66.2-46.8177.2-590000110.8K205 A206 V207 Q212K205-T209 VanDerWaalsContact O-CB 3.27Å; K205-T209 WeakPolarHBondContact O-CB 3.33Å; K205-T209 PolarHBondContact O-N 2.87Å; K205-T209 PolarHBondContact O-OG1 3.27Å; A206-T209 PolarHBondContact O-N 3.42Å; V207-T209 VanDerWaalsContact C-N 3.29Å; V207-T209 PolarHBondContact O-N 3.42Å; T209-Q212 PolarHBondContact O-N 3.05Å
210A98Very high97.6Very high33 Ų3343 Ų4327%0.27323%0.23SC..Hα-helixtrans-62.1-47.7177.300000111.2L166 L170 A206 V207 Q212L166-A210 HydrophobicContact CD1-CB 3.74Å; L166-A210 HydrophobicContact CG-CB 4.23Å; L170-A210 HydrophobicContact CB-CB 4.41Å; L170-A210 VanDerWaalsContact CD1-O 3.25Å; L170-A210 WeakPolarHBondContact CD1-O 3.3Å; A206-A210 PolarHBondContact O-N 3.24Å; V207-A210 PolarHBondContact O-N 3.4Å; A210-Q212 PolarHBondContact O-N 3.43Å
211A97.6Very high97.5Very high13 Ų1344.1 Ų44.111%0.10724%0.238CC..Hα-helixtrans-73.2-13.2-178.600000114.1L173 L180 V207 R213L173-A211 HydrophobicContact CB-CB 3.89Å; L173-A211 HydrophobicContact CD1-CB 3.57Å; L173-A211 HydrophobicContact CG-CB 4.32Å; L180-A211 HydrophobicContact CD2-CB 4.47Å; V207-A211 VanDerWaalsContact O-CB 3.24Å; V207-A211 WeakPolarHBondContact O-CB 3.19Å; V207-A211 PolarHBondContact O-N 3.4Å; A211-R213 HydrophobicContact CB-CB 4.23Å; A211-R213 WeakPolarHBondContact O-CG 3.2Å; A211-R213 PolarHBondContact O-N 3.2Å
212Q97.9Very high97.3Very high180 Ų18045.1 Ų45.184%0.84124%0.241SC*.THydrogen-bonded Turntrans51.833.9-170.9-57.1-175-36.400113E208 T209 A210E208-Q212 WeakPolarHBondContact O-CA 3.43Å; E208-Q212 PolarHBondContact O-N 3.08Å; T209-Q212 PolarHBondContact O-N 3.05Å; A210-Q212 PolarHBondContact O-N 3.43Å
213R97.1Very high97.2Very high69 Ų6947 Ų4726%0.2624%0.244SC..SBendtrans-136145.5-174.9-71.8171.168.8-171.2-0.3109.2L173 N175 P176 C178 L180 E208 A211L173-R213 PolarHBondContact O-NH1 2.91Å; L173-R213 VanDerWaalsContact O-NH1 3.07Å; N175-R213 PolarHBondContact O-NH1 2.61Å; P176-R213 PolarHBondContact O-NH2 3.28Å; C178-R213 VanDerWaalsContact O-CZ 3.28Å; C178-R213 PolarHBondContact O-NH1 2.89Å; C178-R213 PolarHBondContact O-NH2 3.33Å; L180-R213 HydrophobicContact CD2-CB 4.2Å; E208-R213 VanDerWaalsContact CA-O 3.25Å; E208-R213 WeakPolarHBondContact CA-O 3.16Å; E208-R213 WeakPolarHBondContact CB-O 3.32Å; E208-R213 WeakPolarHBondContact CG-O 3.34Å; E208-R213 PolarHBondContact O-N 3.16Å; A211-R213 HydrophobicContact CB-CB 4.23Å; A211-R213 WeakPolarHBondContact O-CG 3.2Å; A211-R213 PolarHBondContact O-N 3.2Å
214Q97.7Very high97Very high134 Ų13447.4 Ų47.463%0.62625%0.245SC*.PPolyproline II helixtrans-88140.8170.7-64.3-57.4-8400109.9
215A98Very high96.8Very high15 Ų1547.3 Ų47.312%0.12424%0.244CC..PPolyproline II helixtrans-81.7145.2177.600000111.1L180 L204 E208 T217L180-A215 HydrophobicContact CD1-CB 4.44Å; L180-A215 HydrophobicContact CD2-CB 4.06Å; L180-A215 HydrophobicContact CG-CB 3.67Å; L180-A215 WeakPolarHBondContact O-CA 3.44Å; L204-A215 HydrophobicContact CD1-CB 3.63Å; L204-A215 HydrophobicContact CD2-CB 4.37Å; L204-A215 HydrophobicContact CG-CB 4.32Å; E208-A215 HydrophobicContact CG-CB 4.17Å; E208-A215 WeakPolarHBondContact OE1-CB 3.25Å; E208-A215 PolarHBondContact OE1-N 3.26Å; A215-T217 PolarHBondContact O-N 2.97Å
216Q97.1Very high96.7Very high85 Ų8542.5 Ų42.540%0.39722%0.224SC..EExtended strand (participates in β ladder)trans-74.5118.9160.7178.558.550.500108.7Y96 L180 V181 G182 N222Y96-Q216 HydrophobicContact CE1-CG 4.39Å; Y96-Q216 HydrophobicContact CE2-CG 4.14Å; Y96-Q216 WeakPolarHBondContact OH-CG 2.97Å; L180-Q216 PolarHBondContact O-N 3.26Å; V181-Q216 CarbonylContact C-O 3.52Å; V181-Q216 VanDerWaalsContact CA-O 3.32Å; V181-Q216 WeakPolarHBondContact CA-O 3.47Å; G182-Q216 PolarHBondContact N-O 3.33Å; Q216-N222 PolarHBondContact NE2-ND2 2.9Å
217T96.4Very high96.5Very high33 Ų3343.6 Ų43.620%0.20223%0.225CC..EExtended strand (participates in β ladder)trans-90.2145.317857.20000111.3G182 T185 L204 A215 N222G182-T217 CarbonylContact O-C 3.55Å; G182-T217 VanDerWaalsContact O-CA 3.26Å; G182-T217 WeakPolarHBondContact O-CA 3.42Å; T185-T217 HydrophobicContact CG2-CG2 3.7Å; L204-T217 HydrophobicContact CD2-CG2 4.1Å; A215-T217 PolarHBondContact O-N 2.97Å; T217-N222 PolarHBondContact O-ND2 3.48Å
218V95.9Very high96.3Very high0 Ų043.8 Ų43.80%023%0.226CC..  trans-103.7-41.4-175.7177.70000112C92 Y96 V181 G182 F224C92-V218 HydrophobicContact CB-CG1 3.62Å; Y96-V218 HydrophobicContact CD1-CG2 4.31Å; Y96-V218 HydrophobicContact CG-CG2 4.05Å; V181-V218 HydrophobicContact CG1-CG2 3.56Å; G182-V218 PolarHBondContact O-N 3.3Å; V218-F224 HydrophobicContact CG1-CD1 3.57Å; V218-F224 HydrophobicContact CG1-CE1 4.02Å
219G95.3Very high96.2Very high0 Ų043.2 Ų43.20%022%0.224CC..SBendtrans-77.4179.3-175.800000114.2N61 T183 N222N61-G219 WeakPolarHBondContact OD1-CA 3.38Å; T183-G219 VanDerWaalsContact O-CA 3.22Å; T183-G219 WeakPolarHBondContact O-CA 3.45Å; T183-G219 PolarHBondContact O-N 2.85Å; G219-N222 WeakPolarHBondContact O-CB 3.34Å; G219-N222 PolarHBondContact O-N 3.44Å
220K96.3Very high96.1Very high3 Ų339.2 Ų39.21%0.01320%0.201CC..THydrogen-bonded Turntrans-55.4136.2177.6-58178.1-70.3-179.70109.8D27 V59 N61 M225 M242 D250 L253D27-K220 IonicContact OD1-NZ 2.66Å; D27-K220 PolarHBondContact OD1-NZ 3.34Å; V59-K220 PolarHBondContact O-NZ 3.49Å; N61-K220 PolarHBondContact ND2-O 3.13Å; N61-K220 PolarHBondContact OD1-N 3.24Å; K220-M225 HydrophobicContact CD-SD 4.03Å; K220-M225 HydrophobicContact CG-CE 4.48Å; K220-M225 HydrophobicContact CG-SD 3.73Å; K220-M242 HydrophobicContact CD-CE 4.1Å; K220-D250 WeakPolarHBondContact CD-OD1 3.44Å; K220-D250 VanDerWaalsContact CE-OD1 3.3Å; K220-D250 WeakPolarHBondContact CE-OD1 3.2Å; K220-D250 IonicContact NZ-OD1 2.61Å; K220-D250 PolarHBondContact NZ-OD1 3.11Å; K220-L253 HydrophobicContact CB-CB 4.4Å; K220-L253 HydrophobicContact CD-CD2 3.77Å; K220-L253 HydrophobicContact CG-CB 4.28Å; K220-L253 HydrophobicContact CG-CD2 3.63Å; K220-L253 HydrophobicContact CG-CG 4.35Å
221P94.9Very high95.8Very high29 Ų2942.2 Ų42.219%0.18822%0.22CC..THydrogen-bonded Turncis-89.413.511.636-38.1000115.7L252 N256P221-L252 HydrophobicContact CB-CB 3.87Å; P221-L252 HydrophobicContact CB-CD2 3.78Å; P221-L252 HydrophobicContact CB-CG 3.74Å; P221-L252 HydrophobicContact CG-CD2 3.88Å; P221-L252 HydrophobicContact CG-CG 4.39Å; P221-N256 PolarHBondContact O-ND2 3.32Å
222N93.6Very high95.7Very high28 Ų2845 Ų4515%0.1523%0.231CC..SBendtrans-69.1134.8178.1-167.4-42.1000111.2Q216 T217 G219 F224 L253Q216-N222 PolarHBondContact NE2-ND2 2.9Å; T217-N222 PolarHBondContact O-ND2 3.48Å; G219-N222 WeakPolarHBondContact O-CB 3.34Å; G219-N222 PolarHBondContact O-N 3.44Å; N222-F224 PolarHBondContact O-N 3.4Å; N222-F224 VanDerWaalsContact O-N 3.12Å; N222-F224 PolarHBondContact OD1-N 3.22Å; N222-L253 VanDerWaalsContact O-CD1 3.23Å; N222-L253 WeakPolarHBondContact O-CD1 3.48Å
223H93.8Very high95.6Very high96 Ų9639.5 Ų39.544%0.44420%0.204SC..THydrogen-bonded Turntrans-56.5-23.1177.670-58.7000115.2M225 Y226 D227 C257H223-M225 PolarHBondContact O-N 3.04Å; H223-M225 VanDerWaalsContact O-N 3.08Å; H223-Y226 WeakPolarHBondContact O-CA 3.17Å; H223-Y226 WeakPolarHBondContact O-CB 3.41Å; H223-Y226 PolarHBondContact O-N 3.32Å; H223-D227 IonicContact CD2-OD1 2.61Å; H223-D227 IonicContact CD2-OD2 3.72Å; H223-D227 PolarHBondContact CD2-OD2 3.32Å; H223-D227 IonicContact CG-OD2 2.65Å; H223-D227 IonicContact NE2-OD2 3.52Å; H223-D227 PolarHBondContact NE2-OD2 3.33Å; H223-D227 PolarHBondContact O-N 3.07Å; H223-C257 VanDerWaalsContact CB-SG 3.54Å
224F94.7Very high95.5Very high23 Ų2339.2 Ų39.210%0.10122%0.223CC..Hα-helixtrans-57.2-32.7-172.7-176.2-96.8000114.1C92 M95 Y96 V100 V218 N222 Y226 D227 C228C92-F224 HydrophobicContact CB-CD1 4.44Å; C92-F224 HydrophobicContact CB-CE1 4.28Å; C92-F224 VanDerWaalsContact O-CE1 3.25Å; C92-F224 WeakPolarHBondContact O-CE1 3.36Å; M95-F224 HydrophobicContact CB-CZ 4.42Å; Y96-F224 VanDerWaalsContact CA-CZ 3.42Å; Y96-F224 HydrophobicContact CD2-CD1 4.34Å; Y96-F224 HydrophobicContact CD2-CD2 4.13Å; Y96-F224 HydrophobicContact CD2-CE1 4.29Å; Y96-F224 HydrophobicContact CD2-CE2 4.12Å; Y96-F224 HydrophobicContact CD2-CG 4.24Å; Y96-F224 HydrophobicContact CD2-CZ 4.17Å; Y96-F224 HydrophobicContact CG-CE1 4.43Å; Y96-F224 HydrophobicContact CG-CZ 4.46Å; V100-F224 HydrophobicContact CG2-CD2 4.02Å; V100-F224 HydrophobicContact CG2-CE2 3.27Å; V100-F224 HydrophobicContact CG2-CZ 3.97Å; V218-F224 HydrophobicContact CG1-CD1 3.57Å; V218-F224 HydrophobicContact CG1-CE1 4.02Å; N222-F224 PolarHBondContact O-N 3.4Å; N222-F224 VanDerWaalsContact O-N 3.12Å; N222-F224 PolarHBondContact OD1-N 3.22Å; F224-Y226 VanDerWaalsContact C-N 3.35Å; F224-D227 PolarHBondContact O-N 3.26Å; F224-C228 WeakPolarHBondContact CE1-SG 3.35Å; F224-C228 WeakPolarHBondContact CZ-SG 3.36Å; F224-C228 PolarHBondContact O-N 3.22Å; F224-C228 PolarHBondContact O-SG 3.34Å; F224-C228 VanDerWaalsContact O-SG 3.33Å
225M94.8Very high95.4Very high0 Ų033.7 Ų33.70%020%0.198CC..Hα-helixtrans-63.4-41.5174.1-174.9173.9-7700111.8V59 T60 T89 K220 H223 C228 V229V59-M225 HydrophobicContact CB-CG 4.25Å; V59-M225 HydrophobicContact CB-SD 3.58Å; V59-M225 VanDerWaalsContact CB-SD 3.58Å; V59-M225 HydrophobicContact CG1-CG 3.95Å; V59-M225 HydrophobicContact CG1-SD 3.96Å; T60-M225 VanDerWaalsContact O-CE 3.29Å; T60-M225 WeakPolarHBondContact O-CE 3.13Å; T89-M225 HydrophobicContact CG2-CE 3.57Å; K220-M225 HydrophobicContact CD-SD 4.03Å; K220-M225 HydrophobicContact CG-CE 4.48Å; K220-M225 HydrophobicContact CG-SD 3.73Å; H223-M225 PolarHBondContact O-N 3.04Å; H223-M225 VanDerWaalsContact O-N 3.08Å; M225-C228 WeakPolarHBondContact O-CB 3.49Å; M225-C228 PolarHBondContact O-N 3.36Å; M225-V229 WeakPolarHBondContact O-CG2 3.34Å; M225-V229 PolarHBondContact O-N 3.08Å
226Y96.4Very high95.3Very high6 Ų636.7 Ų36.72%0.02421%0.212CC..Hα-helixtrans-65.5-41.9172.7168.5-97.4000111.3L25 H223 F224 C228 V229 A230 R237 C257 L259L25-Y226 HydrophobicContact CD2-CD2 3.93Å; H223-Y226 WeakPolarHBondContact O-CA 3.17Å; H223-Y226 WeakPolarHBondContact O-CB 3.41Å; H223-Y226 PolarHBondContact O-N 3.32Å; F224-Y226 VanDerWaalsContact C-N 3.35Å; Y226-C228 VanDerWaalsContact C-N 3.27Å; Y226-C228 PolarHBondContact O-N 3.29Å; Y226-V229 WeakPolarHBondContact O-CB 3.46Å; Y226-V229 PolarHBondContact O-N 2.92Å; Y226-A230 HydrophobicContact CD1-CB 4.35Å; Y226-A230 HydrophobicContact CE1-CB 3.85Å; Y226-A230 HydrophobicContact CE2-CB 4.33Å; Y226-A230 WeakPolarHBondContact O-CB 3.38Å; Y226-A230 PolarHBondContact O-N 2.78Å; Y226-R237 HydrophobicContact CE1-CB 4.49Å; Y226-R237 VanDerWaalsContact OH-CA 3.28Å; Y226-R237 WeakPolarHBondContact OH-CA 3.18Å; Y226-R237 VanDerWaalsContact OH-CB 3.26Å; Y226-R237 WeakPolarHBondContact OH-CB 3.39Å; Y226-R237 PolarHBondContact OH-N 3.19Å; Y226-C257 HydrophobicContact CD1-CB 4.06Å; Y226-C257 HydrophobicContact CG-CB 4.13Å; Y226-L259 HydrophobicContact CD2-CD1 3.78Å; Y226-L259 HydrophobicContact CD2-CD2 4.07Å; Y226-L259 HydrophobicContact CE2-CD1 4.07Å; Y226-L259 HydrophobicContact CE2-CD2 3.6Å; Y226-L259 HydrophobicContact CE2-CG 4.5Å; Y226-L259 HydrophobicContact CG-CD1 4.49Å
227D95.3Very high95.2Very high53 Ų5339.2 Ų39.228%0.28322%0.217SC..Hα-helixtrans-61.6-36.4178.9-62.8-23.5000112.4H223 F224 V229 A230 S231H223-D227 IonicContact CD2-OD1 2.61Å; H223-D227 IonicContact CD2-OD2 3.72Å; H223-D227 PolarHBondContact CD2-OD2 3.32Å; H223-D227 IonicContact CG-OD2 2.65Å; H223-D227 IonicContact NE2-OD2 3.52Å; H223-D227 PolarHBondContact NE2-OD2 3.33Å; H223-D227 PolarHBondContact O-N 3.07Å; F224-D227 PolarHBondContact O-N 3.26Å; D227-V229 VanDerWaalsContact C-N 3.31Å; D227-V229 PolarHBondContact O-N 2.82Å; D227-A230 PolarHBondContact O-N 3.38Å; D227-S231 VanDerWaalsContact O-CB 3.23Å; D227-S231 WeakPolarHBondContact O-CB 3.36Å; D227-S231 PolarHBondContact O-N 2.92Å; D227-S231 PolarHBondContact O-OG 3.42Å
228C94.4Very high95.2Very high5 Ų542 Ų423%0.03423%0.234CC..Hα-helixtrans-56.6-45.5171.6-73.70000111.5F87 F224 M225 Y226 S231 Q232F87-C228 HydrophobicContact CD1-CB 3.78Å; F87-C228 HydrophobicContact CE1-CB 3.85Å; F224-C228 WeakPolarHBondContact CE1-SG 3.35Å; F224-C228 WeakPolarHBondContact CZ-SG 3.36Å; F224-C228 PolarHBondContact O-N 3.22Å; F224-C228 PolarHBondContact O-SG 3.34Å; F224-C228 VanDerWaalsContact O-SG 3.33Å; M225-C228 WeakPolarHBondContact O-CB 3.49Å; M225-C228 PolarHBondContact O-N 3.36Å; Y226-C228 VanDerWaalsContact C-N 3.27Å; Y226-C228 PolarHBondContact O-N 3.29Å; C228-S231 PolarHBondContact O-OG 3.15Å; C228-Q232 WeakPolarHBondContact O-CG 3.39Å
229V96.3Very high95.3Very high0 Ų045.8 Ų45.80%025%0.249CC..Hα-helixtrans-68.9-49.9178.1-170.80000110.4F57 V59 F87 M225 Y226 D227 S231 Q232 F233 L235F57-V229 HydrophobicContact CB-CG1 4.15Å; F57-V229 HydrophobicContact CD1-CG1 3.71Å; F57-V229 HydrophobicContact CD2-CG1 3.58Å; F57-V229 HydrophobicContact CE1-CG1 3.96Å; F57-V229 HydrophobicContact CE2-CG1 3.83Å; F57-V229 HydrophobicContact CG-CG1 3.51Å; F57-V229 HydrophobicContact CZ-CG1 4Å; V59-V229 HydrophobicContact CG1-CG2 4.27Å; F87-V229 HydrophobicContact CB-CG2 4.24Å; F87-V229 HydrophobicContact CD1-CG2 3.76Å; F87-V229 HydrophobicContact CD2-CG2 3.65Å; F87-V229 HydrophobicContact CE1-CB 4.43Å; F87-V229 HydrophobicContact CE1-CG2 3.96Å; F87-V229 HydrophobicContact CE2-CB 4.4Å; F87-V229 HydrophobicContact CE2-CG1 4.24Å; F87-V229 HydrophobicContact CE2-CG2 3.87Å; F87-V229 HydrophobicContact CG-CG2 3.6Å; F87-V229 HydrophobicContact CZ-CB 4.29Å; F87-V229 HydrophobicContact CZ-CG1 4.44Å; F87-V229 HydrophobicContact CZ-CG2 4.01Å; M225-V229 WeakPolarHBondContact O-CG2 3.34Å; M225-V229 PolarHBondContact O-N 3.08Å; Y226-V229 WeakPolarHBondContact O-CB 3.46Å; Y226-V229 PolarHBondContact O-N 2.92Å; D227-V229 VanDerWaalsContact C-N 3.31Å; D227-V229 PolarHBondContact O-N 2.82Å; V229-S231 PolarHBondContact O-N 2.78Å; V229-Q232 PolarHBondContact O-N 3.42Å; V229-F233 HydrophobicContact CG1-CD2 4.19Å; V229-F233 WeakPolarHBondContact O-CD2 3.4Å; V229-F233 PolarHBondContact O-N 2.84Å; V229-L235 HydrophobicContact CB-CD1 4.35Å; V229-L235 HydrophobicContact CG1-CD1 3.55Å; V229-L235 HydrophobicContact CG1-CG 4.37Å
230A95.6Very high95.5Very high18 Ų1845.8 Ų45.815%0.14925%0.249CC..Hα-helixtrans-63.2-40.6-173.600000112.5Y226 D227 Q232 G234 L235Y226-A230 HydrophobicContact CD1-CB 4.35Å; Y226-A230 HydrophobicContact CE1-CB 3.85Å; Y226-A230 HydrophobicContact CE2-CB 4.33Å; Y226-A230 WeakPolarHBondContact O-CB 3.38Å; Y226-A230 PolarHBondContact O-N 2.78Å; D227-A230 PolarHBondContact O-N 3.38Å; A230-Q232 VanDerWaalsContact C-N 3.31Å; A230-Q232 PolarHBondContact O-N 2.81Å; A230-G234 WeakPolarHBondContact O-CA 3.14Å; A230-G234 PolarHBondContact O-N 2.85Å; A230-L235 HydrophobicContact CB-CB 4.23Å; A230-L235 PolarHBondContact O-N 2.97Å
231S92.9Very high95.6Very high97 Ų9745.7 Ų45.768%0.67825%0.248SC*.Hα-helixtrans-67.1-30.2178.258.90000113.4D227 C228 V229D227-S231 VanDerWaalsContact O-CB 3.23Å; D227-S231 WeakPolarHBondContact O-CB 3.36Å; D227-S231 PolarHBondContact O-N 2.92Å; D227-S231 PolarHBondContact O-OG 3.42Å; C228-S231 PolarHBondContact O-OG 3.15Å; V229-S231 PolarHBondContact O-N 2.78Å
232Q94.3Very high95.7Very high71 Ų7144.3 Ų44.333%0.33224%0.239SC..Hα-helixtrans-84.2-34.7179.7-68.7-179.723.100112.9Y91 C228 V229 A230Y91-Q232 PolarHBondContact OH-NE2 2.62Å; C228-Q232 WeakPolarHBondContact O-CG 3.39Å; V229-Q232 PolarHBondContact O-N 3.42Å; A230-Q232 VanDerWaalsContact C-N 3.31Å; A230-Q232 PolarHBondContact O-N 2.81Å
233F96.1Very high96Very high64 Ų6443 Ų4328%0.28123%0.232SC..Hα-helixtrans-116.21.3-169.5-65.7-78.1000115.1K55 F57 D84 F87 V229 L235K55-F233 PolarHBondContact NZ-O 2.78Å; F57-F233 HydrophobicContact CD1-CD2 4.24Å; F57-F233 HydrophobicContact CD1-CE2 4.2Å; F57-F233 HydrophobicContact CE1-CB 4.34Å; F57-F233 HydrophobicContact CE1-CD1 4.01Å; F57-F233 AromaticContact CE1-CD2 3.33Å; F57-F233 HydrophobicContact CE1-CD2 3.33Å; F57-F233 HydrophobicContact CE1-CE1 4.13Å; F57-F233 AromaticContact CE1-CE2 3.46Å; F57-F233 HydrophobicContact CE1-CE2 3.46Å; F57-F233 VanDerWaalsContact CE1-CE2 3.46Å; F57-F233 AromaticContact CE1-CG 3.62Å; F57-F233 HydrophobicContact CE1-CG 3.62Å; F57-F233 AromaticContact CE1-CZ 3.87Å; F57-F233 HydrophobicContact CE1-CZ 3.87Å; F57-F233 HydrophobicContact CZ-CB 3.77Å; F57-F233 HydrophobicContact CZ-CD1 4.02Å; F57-F233 AromaticContact CZ-CD2 3.66Å; F57-F233 HydrophobicContact CZ-CD2 3.66Å; F57-F233 HydrophobicContact CZ-CE2 4.24Å; F57-F233 AromaticContact CZ-CG 3.53Å; F57-F233 HydrophobicContact CZ-CG 3.53Å; D84-F233 HydrophobicContact CB-CZ 4.3Å; D84-F233 WeakPolarHBondContact O-CZ 3.47Å; F87-F233 AromaticContact CE2-CE2 3.99Å; F87-F233 HydrophobicContact CE2-CE2 3.99Å; F87-F233 HydrophobicContact CZ-CD2 4.34Å; F87-F233 AromaticContact CZ-CE2 3.8Å; F87-F233 HydrophobicContact CZ-CE2 3.8Å; V229-F233 HydrophobicContact CG1-CD2 4.19Å; V229-F233 WeakPolarHBondContact O-CD2 3.4Å; V229-F233 PolarHBondContact O-N 2.84Å; F233-L235 HydrophobicContact CB-CD2 3.75Å; F233-L235 HydrophobicContact CB-CG 4.24Å
234G94.9Very high96.2Very high63 Ų6338.4 Ų38.465%0.64921%0.211SC*.THydrogen-bonded Turntrans60.154.5178.500000112.1A230A230-G234 WeakPolarHBondContact O-CA 3.14Å; A230-G234 PolarHBondContact O-N 2.85Å
235L96.2Very high96.3Very high19 Ų1937.7 Ų37.710%0.09921%0.208CC..  trans-81.8136.2-174.9-57.8-164.1000112.3S23 L25 K55 F57 V229 A230 F233S23-L235 WeakPolarHBondContact OG-CD2 3.42Å; L25-L235 HydrophobicContact CD1-CD1 4.22Å; K55-L235 HydrophobicContact CD-CD2 3.9Å; F57-L235 HydrophobicContact CD2-CD1 4.09Å; F57-L235 HydrophobicContact CE2-CD1 3.73Å; F57-L235 HydrophobicContact CE2-CD2 3.85Å; F57-L235 HydrophobicContact CE2-CG 4.36Å; F57-L235 HydrophobicContact CZ-CD2 4.21Å; V229-L235 HydrophobicContact CB-CD1 4.35Å; V229-L235 HydrophobicContact CG1-CD1 3.55Å; V229-L235 HydrophobicContact CG1-CG 4.37Å; A230-L235 HydrophobicContact CB-CB 4.23Å; A230-L235 PolarHBondContact O-N 2.97Å; F233-L235 HydrophobicContact CB-CD2 3.75Å; F233-L235 HydrophobicContact CB-CG 4.24Å
236D95.6Very high96.3Very high78 Ų7840.1 Ų40.142%0.41722%0.217SC..  trans-86.1111.8166177.6-1.6000109.7T238 R239 C240D236-T238 VanDerWaalsContact CG-OG1 3.25Å; D236-T238 PolarHBondContact O-N 2.82Å; D236-T238 VanDerWaalsContact O-N 3.15Å; D236-T238 WeakPolarHBondContact OD1-CB 3.33Å; D236-T238 PolarHBondContact OD1-N 3.1Å; D236-T238 PolarHBondContact OD1-OG1 2.9Å; D236-T238 PolarHBondContact OD2-OG1 3.18Å; D236-T238 VanDerWaalsContact OD2-OG1 3.07Å; D236-R239 HydrophobicContact CB-CB 4.44Å; D236-R239 CarbonylContact O-C 3.46Å; D236-R239 PolarHBondContact O-N 3.03Å; D236-C240 PolarHBondContact O-N 3.15Å; D236-C240 PolarHBondContact O-SG 3.46Å
237R95.9Very high96.3Very high138 Ų13840 Ų4052%0.52122%0.217SC..G310 helixtrans-53.6-33.4179.469.3-177.469.1-170.3-0.6113.5Y226 R239 C240 L259Y226-R237 HydrophobicContact CE1-CB 4.49Å; Y226-R237 VanDerWaalsContact OH-CA 3.28Å; Y226-R237 WeakPolarHBondContact OH-CA 3.18Å; Y226-R237 VanDerWaalsContact OH-CB 3.26Å; Y226-R237 WeakPolarHBondContact OH-CB 3.39Å; Y226-R237 PolarHBondContact OH-N 3.19Å; R237-R239 PolarHBondContact O-N 3.35Å; R237-C240 PolarHBondContact O-N 2.83Å; R237-L259 HydrophobicContact CB-CD2 3.75Å
238T96.6Very high96.2Very high90 Ų9040.3 Ų40.355%0.55222%0.219SC*.G310 helixtrans-73.7-19-177.370.80000112.8D236D236-T238 VanDerWaalsContact CG-OG1 3.25Å; D236-T238 PolarHBondContact O-N 2.82Å; D236-T238 VanDerWaalsContact O-N 3.15Å; D236-T238 WeakPolarHBondContact OD1-CB 3.33Å; D236-T238 PolarHBondContact OD1-N 3.1Å; D236-T238 PolarHBondContact OD1-OG1 2.9Å; D236-T238 PolarHBondContact OD2-OG1 3.18Å; D236-T238 VanDerWaalsContact OD2-OG1 3.07Å
239R97.8Very high96.2Very high81 Ų8140.4 Ų40.431%0.30622%0.219SC..G310 helixtrans-111.626.6176.8-59.4-17361.9748.1111.8D19 S20 V21 D22 S23 D236 R237D19-R239 PolarHBondContact O-NH2 3.01Å; S20-R239 PolarHBondContact O-NH1 3.39Å; V21-R239 CarbonylContact C-O 3.49Å; V21-R239 VanDerWaalsContact CA-O 3.3Å; V21-R239 WeakPolarHBondContact CA-O 3.27Å; V21-R239 WeakPolarHBondContact CB-O 3.35Å; D22-R239 HydrophobicContact CB-CB 4.47Å; D22-R239 PolarHBondContact N-O 2.9Å; D22-R239 IonicContact OD1-CZ 3.37Å; D22-R239 IonicContact OD1-NE 3.22Å; D22-R239 PolarHBondContact OD1-NE 2.85Å; D22-R239 IonicContact OD1-NH2 2.71Å; D22-R239 PolarHBondContact OD1-NH2 3.4Å; D22-R239 WeakPolarHBondContact OD2-CD 3.49Å; D22-R239 IonicContact OD2-CZ 3.65Å; D22-R239 IonicContact OD2-NE 2.7Å; D22-R239 PolarHBondContact OD2-NE 3.29Å; D22-R239 IonicContact OD2-NH2 3.76Å; S23-R239 PolarHBondContact N-O 3.33Å; D236-R239 HydrophobicContact CB-CB 4.44Å; D236-R239 CarbonylContact O-C 3.46Å; D236-R239 PolarHBondContact O-N 3.03Å; R237-R239 PolarHBondContact O-N 3.35Å
240C98.4Very high96.2Very high0 Ų040.5 Ų40.50%022%0.22CC..EExtended strand (participates in β ladder)trans-112.2141.3176-74.10000111.3S23 D236 R237 L259 K260S23-C240 WeakPolarHBondContact O-CA 3.33Å; D236-C240 PolarHBondContact O-N 3.15Å; D236-C240 PolarHBondContact O-SG 3.46Å; R237-C240 PolarHBondContact O-N 2.83Å; C240-L259 HydrophobicContact CB-CB 4.36Å; C240-L259 HydrophobicContact CB-CD1 4.43Å; C240-L259 HydrophobicContact CB-CD2 3.73Å; C240-L259 HydrophobicContact CB-CG 4.36Å; C240-K260 PolarHBondContact O-N 2.68Å
241L98.6Very high96.3Very high1 Ų139.7 Ų39.71%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-113.2129.8170.7-177.370.4000109.8M17 V21 S23 V24 L25 V243 K260 L262M17-L241 HydrophobicContact CE-CD2 3.9Å; M17-L241 HydrophobicContact SD-CD1 4.08Å; M17-L241 HydrophobicContact SD-CD2 3.57Å; M17-L241 VanDerWaalsContact SD-CD2 3.57Å; M17-L241 HydrophobicContact SD-CG 4.39Å; V21-L241 HydrophobicContact CG1-CB 4.17Å; V21-L241 HydrophobicContact CG2-CB 4.36Å; S23-L241 PolarHBondContact O-N 3.47Å; V24-L241 CarbonylContact C-O 3.51Å; V24-L241 WeakPolarHBondContact CA-O 3.48Å; V24-L241 HydrophobicContact CG1-CB 4.17Å; V24-L241 HydrophobicContact CG1-CD2 3.99Å; V24-L241 HydrophobicContact CG1-CG 4.34Å; V24-L241 HydrophobicContact CG2-CB 4.44Å; L25-L241 PolarHBondContact N-O 3.18Å; L241-V243 HydrophobicContact CD2-CG2 3.65Å; L241-V243 HydrophobicContact CG-CG2 3.87Å; L241-K260 CarbonylContact C-O 3.43Å; L241-K260 WeakPolarHBondContact CA-O 3.4Å; L241-K260 HydrophobicContact CD1-CB 3.69Å; L241-L262 HydrophobicContact CD1-CB 3.97Å; L241-L262 HydrophobicContact CD2-CB 4.34Å; L241-L262 HydrophobicContact CD2-CD2 4.26Å; L241-L262 HydrophobicContact CG-CB 4.36Å
242M98.6Very high96.5Very high0 Ų036.3 Ų36.30%019%0.187CC..EExtended strand (participates in β ladder)trans-98.6121.2165.4-179.161-16000109.2L25 D27 V59 K220 D250 L253 L259 K260 T261 L262L25-M242 HydrophobicContact CB-SD 3.75Å; D27-M242 HydrophobicContact CB-CE 4.25Å; V59-M242 HydrophobicContact CG2-CE 3.74Å; V59-M242 HydrophobicContact CG2-SD 3.87Å; K220-M242 HydrophobicContact CD-CE 4.1Å; M242-D250 HydrophobicContact CE-CB 3.63Å; M242-D250 WeakPolarHBondContact CE-OD1 3.36Å; M242-D250 WeakPolarHBondContact CG-O 3.31Å; M242-L253 HydrophobicContact CE-CD2 4.28Å; M242-L253 HydrophobicContact SD-CD2 3.93Å; M242-L259 HydrophobicContact CB-CD1 4.2Å; M242-K260 PolarHBondContact N-O 3.42Å; M242-T261 WeakPolarHBondContact O-CA 3.35Å; M242-L262 PolarHBondContact O-N 3.07Å
243V98.8Very high96.6Very high0 Ų032.9 Ų32.90%017%0.171CC..EExtended strand (participates in β ladder)trans-109.5124.1177.3-170.90000108.7V24 L25 F26 D27 V31 L241 L262 I297V24-V243 HydrophobicContact CG1-CG2 3.61Å; L25-V243 PolarHBondContact O-N 3.27Å; F26-V243 HydrophobicContact CD1-CB 3.59Å; F26-V243 HydrophobicContact CD1-CG1 3.8Å; F26-V243 HydrophobicContact CD1-CG2 3.95Å; F26-V243 HydrophobicContact CE1-CB 3.81Å; F26-V243 HydrophobicContact CE1-CG1 3.84Å; F26-V243 HydrophobicContact CE1-CG2 3.71Å; F26-V243 HydrophobicContact CG-CB 4.29Å; F26-V243 HydrophobicContact CZ-CG2 4.15Å; D27-V243 PolarHBondContact N-O 2.87Å; V31-V243 HydrophobicContact CG1-CG1 4.05Å; L241-V243 HydrophobicContact CD2-CG2 3.65Å; L241-V243 HydrophobicContact CG-CG2 3.87Å; V243-L262 WeakPolarHBondContact CA-O 3.45Å; V243-L262 HydrophobicContact CG1-CB 4.47Å; V243-L262 HydrophobicContact CG1-CD2 4.24Å; V243-L262 HydrophobicContact CG1-CG 4.26Å; V243-L262 HydrophobicContact CG2-CB 4.23Å; V243-L262 HydrophobicContact CG2-CD2 4.2Å; V243-I297 HydrophobicContact CG1-CG2 3.74Å
244G98.2Very high96.7Very high0 Ų029.9 Ų29.90%016%0.158CC..EExtended strand (participates in β ladder)trans-151.5164.1-174.100000112.9D250 L262 L263 T264G244-D250 WeakPolarHBondContact CA-OD2 3.34Å; G244-L262 PolarHBondContact N-O 3.19Å; G244-L263 CarbonylContact O-C 3.56Å; G244-L263 WeakPolarHBondContact O-CA 3.44Å; G244-T264 PolarHBondContact O-N 2.95Å
245D96.5Very high96.8Very high8 Ų829 Ų294%0.04314%0.141CC..SBendtrans-104.2-7.1175.474.9-49000112.6V31 D250 T264 G267 V268 S269V31-D245 HydrophobicContact CG2-CB 3.86Å; D245-D250 PolarHBondContact N-OD2 3.42Å; D245-T264 HydrophobicContact CB-CG2 4.2Å; D245-G267 WeakPolarHBondContact OD2-CA 3.17Å; D245-V268 WeakPolarHBondContact OD2-CG2 3.44Å; D245-V268 PolarHBondContact OD2-N 3.25Å; D245-S269 VanDerWaalsContact O-CB 3.28Å; D245-S269 WeakPolarHBondContact O-CB 3.26Å; D245-S269 PolarHBondContact O-N 3.49Å
246R95.2Very high96.7Very high50 Ų5032.4 Ų32.419%0.18916%0.16CC..  trans-128.5126.2-170.8-162.3-179.4168.7-156.1-10.8113.3D186 D248 T249 D250 I251 V268D186-R246 IonicContact OD1-CZ 3.35Å; D186-R246 IonicContact OD1-NH1 3.35Å; D186-R246 PolarHBondContact OD1-NH1 2.8Å; R246-D248 WeakPolarHBondContact CD-OD1 3.22Å; R246-D248 WeakPolarHBondContact CG-OD1 3.29Å; R246-D248 IonicContact CZ-OD1 2.68Å; R246-D248 VanDerWaalsContact CZ-OD1 3.26Å; R246-D248 IonicContact CZ-OD2 3.33Å; R246-D248 IonicContact NE-OD1 3.72Å; R246-D248 PolarHBondContact NE-OD1 2.77Å; R246-D248 IonicContact NE-OD2 2.83Å; R246-D248 IonicContact NH2-OD1 2.77Å; R246-D248 PolarHBondContact NH2-OD1 3.05Å; R246-D248 IonicContact NH2-OD2 3.43Å; R246-D248 PolarHBondContact NH2-OD2 3.26Å; R246-T249 WeakPolarHBondContact CB-OG1 3.24Å; R246-T249 WeakPolarHBondContact CD-OG1 3.4Å; R246-D250 PolarHBondContact N-OD2 3.29Å; R246-D250 WeakPolarHBondContact O-CB 3.48Å; R246-D250 PolarHBondContact O-N 3.13Å; R246-I251 PolarHBondContact O-N 3.2Å; R246-V268 HydrophobicContact CG-CB 4.28Å; R246-V268 HydrophobicContact CG-CG1 4.32Å
247L96.1Very high96.8Very high3 Ų329 Ų292%0.01614%0.142CC..Iπ-helixtrans-69.3-42.5-171.4-59.1-178.9000114.1T249 I251 L252 L263 S269 D273 A274 M288L247-T249 VanDerWaalsContact C-N 3.25Å; L247-T249 PolarHBondContact O-N 2.94Å; L247-I251 HydrophobicContact CD2-CB 4.34Å; L247-I251 HydrophobicContact CD2-CG1 3.75Å; L247-L252 WeakPolarHBondContact O-CB 3.46Å; L247-L252 PolarHBondContact O-N 3.31Å; L247-L263 HydrophobicContact CD2-CD1 3.95Å; L247-L263 HydrophobicContact CD2-CD2 3.92Å; L247-L263 HydrophobicContact CD2-CG 4.44Å; L247-S269 PolarHBondContact N-OG 2.68Å; L247-D273 HydrophobicContact CD1-CB 3.71Å; L247-A274 HydrophobicContact CD1-CB 3.94Å; L247-A274 HydrophobicContact CD2-CB 4.28Å; L247-M288 HydrophobicContact CB-CB 4.17Å; L247-M288 WeakPolarHBondContact CD2-O 3.31Å
248D94Very high96.8Very high61 Ų6124.8 Ų24.833%0.32614%0.142SC..Iπ-helixtrans-79.2-5.4-174.465.4-12.1000114R246 M288R246-D248 WeakPolarHBondContact CD-OD1 3.22Å; R246-D248 WeakPolarHBondContact CG-OD1 3.29Å; R246-D248 IonicContact CZ-OD1 2.68Å; R246-D248 VanDerWaalsContact CZ-OD1 3.26Å; R246-D248 IonicContact CZ-OD2 3.33Å; R246-D248 IonicContact NE-OD1 3.72Å; R246-D248 PolarHBondContact NE-OD1 2.77Å; R246-D248 IonicContact NE-OD2 2.83Å; R246-D248 IonicContact NH2-OD1 2.77Å; R246-D248 PolarHBondContact NH2-OD1 3.05Å; R246-D248 IonicContact NH2-OD2 3.43Å; R246-D248 PolarHBondContact NH2-OD2 3.26Å; D248-M288 HydrophobicContact CB-CE 3.93Å; D248-M288 HydrophobicContact CB-SD 4.33Å
249T93.5Very high96.8Very high7 Ų720.9 Ų20.94%0.04312%0.117CC..Iπ-helixtrans-124.7-64.8-179.244.80000111.4D186 R246 L247 L253D186-T249 WeakPolarHBondContact OD1-CG2 3.23Å; R246-T249 WeakPolarHBondContact CB-OG1 3.24Å; R246-T249 WeakPolarHBondContact CD-OG1 3.4Å; L247-T249 VanDerWaalsContact C-N 3.25Å; L247-T249 PolarHBondContact O-N 2.94Å; T249-L253 WeakPolarHBondContact O-CB 3.27Å; T249-L253 PolarHBondContact O-N 2.77Å
250D97.2Very high96.8Very high2 Ų220 Ų201%0.01112%0.116CC..Iπ-helixtrans-76-51.7-173.3-56.7-44.7000112.9K220 M242 G244 D245 R246 L252 L253 G254K220-D250 WeakPolarHBondContact CD-OD1 3.44Å; K220-D250 VanDerWaalsContact CE-OD1 3.3Å; K220-D250 WeakPolarHBondContact CE-OD1 3.2Å; K220-D250 IonicContact NZ-OD1 2.61Å; K220-D250 PolarHBondContact NZ-OD1 3.11Å; M242-D250 HydrophobicContact CE-CB 3.63Å; M242-D250 WeakPolarHBondContact CE-OD1 3.36Å; M242-D250 WeakPolarHBondContact CG-O 3.31Å; G244-D250 WeakPolarHBondContact CA-OD2 3.34Å; D245-D250 PolarHBondContact N-OD2 3.42Å; R246-D250 PolarHBondContact N-OD2 3.29Å; R246-D250 WeakPolarHBondContact O-CB 3.48Å; R246-D250 PolarHBondContact O-N 3.13Å; D250-L252 VanDerWaalsContact C-N 3.3Å; D250-L252 PolarHBondContact O-N 2.91Å; D250-L253 WeakPolarHBondContact O-CB 3.36Å; D250-L253 PolarHBondContact O-N 2.96Å; D250-G254 PolarHBondContact O-N 3.23Å
251I97.8Very high96.8Very high0 Ų020.1 Ų20.10%012%0.117CC..Iπ-helixtrans-66-41.9180-55.8-49.9000109.4R246 L247 L253 G254 S255 T261 L263 P290R246-I251 PolarHBondContact O-N 3.2Å; L247-I251 HydrophobicContact CD2-CB 4.34Å; L247-I251 HydrophobicContact CD2-CG1 3.75Å; I251-L253 PolarHBondContact O-N 3.25Å; I251-G254 PolarHBondContact O-N 2.73Å; I251-S255 PolarHBondContact O-N 2.98Å; I251-T261 HydrophobicContact CG2-CG2 4.19Å; I251-L263 HydrophobicContact CD1-CB 4.17Å; I251-L263 HydrophobicContact CG1-CD1 4.48Å; I251-P290 HydrophobicContact CD1-CB 3.99Å; I251-P290 HydrophobicContact CG1-CB 4.2Å; I251-P290 HydrophobicContact CG2-CB 3.88Å
252L96.4Very high96.8Very high26 Ų2620.1 Ų20.114%0.13612%0.116CC..Hα-helixtrans-64.7-36.5174.8-171.959.8000112.8P221 L247 D250 S255 N256 M288P221-L252 HydrophobicContact CB-CB 3.87Å; P221-L252 HydrophobicContact CB-CD2 3.78Å; P221-L252 HydrophobicContact CB-CG 3.74Å; P221-L252 HydrophobicContact CG-CD2 3.88Å; P221-L252 HydrophobicContact CG-CG 4.39Å; L247-L252 WeakPolarHBondContact O-CB 3.46Å; L247-L252 PolarHBondContact O-N 3.31Å; D250-L252 VanDerWaalsContact C-N 3.3Å; D250-L252 PolarHBondContact O-N 2.91Å; L252-S255 PolarHBondContact O-N 2.75Å; L252-N256 VanDerWaalsContact O-CB 3.26Å; L252-N256 WeakPolarHBondContact O-CB 3.2Å; L252-N256 PolarHBondContact O-N 3.32Å; L252-N256 PolarHBondContact O-ND2 3.43Å; L252-M288 HydrophobicContact CB-CG 4.28Å; L252-M288 HydrophobicContact CD1-CG 4.26Å; L252-M288 HydrophobicContact CD2-CE 3.77Å; L252-M288 HydrophobicContact CD2-CG 4.34Å
253L97.1Very high96.8Very high0 Ų020.1 Ų20.10%012%0.116CC..Hα-helixtrans-57.7-52.8169.6170.770.4000110K220 N222 M242 T249 D250 I251 S255 N256 C257K220-L253 HydrophobicContact CB-CB 4.4Å; K220-L253 HydrophobicContact CD-CD2 3.77Å; K220-L253 HydrophobicContact CG-CB 4.28Å; K220-L253 HydrophobicContact CG-CD2 3.63Å; K220-L253 HydrophobicContact CG-CG 4.35Å; N222-L253 VanDerWaalsContact O-CD1 3.23Å; N222-L253 WeakPolarHBondContact O-CD1 3.48Å; M242-L253 HydrophobicContact CE-CD2 4.28Å; M242-L253 HydrophobicContact SD-CD2 3.93Å; T249-L253 WeakPolarHBondContact O-CB 3.27Å; T249-L253 PolarHBondContact O-N 2.77Å; D250-L253 WeakPolarHBondContact O-CB 3.36Å; D250-L253 PolarHBondContact O-N 2.96Å; I251-L253 PolarHBondContact O-N 3.25Å; L253-S255 VanDerWaalsContact C-N 3.31Å; L253-S255 PolarHBondContact O-N 3.39Å; L253-N256 PolarHBondContact O-N 2.96Å; L253-C257 WeakPolarHBondContact O-CB 3.41Å; L253-C257 PolarHBondContact O-N 3.42Å; L253-C257 PolarHBondContact O-SG 3.49Å
254G97.6Very high96.8Very high0 Ų020.1 Ų20.10%012%0.116CC..Hα-helixtrans-56.7-46-179.300000111.8D250 I251 C257 G258 L259D250-G254 PolarHBondContact O-N 3.23Å; I251-G254 PolarHBondContact O-N 2.73Å; G254-C257 PolarHBondContact O-N 3.36Å; G254-G258 PolarHBondContact O-N 3.21Å; G254-L259 PolarHBondContact O-N 3.23Å
255S95.9Very high96.7Very high44 Ų4422.1 Ų22.131%0.30813%0.127SC..Hα-helixtrans-62.7-44.7175.4-174.10000112.7I251 L252 L253 C257 G258 G287I251-S255 PolarHBondContact O-N 2.98Å; L252-S255 PolarHBondContact O-N 2.75Å; L253-S255 VanDerWaalsContact C-N 3.31Å; L253-S255 PolarHBondContact O-N 3.39Å; S255-C257 PolarHBondContact O-N 2.94Å; S255-G258 PolarHBondContact O-N 3.35Å; S255-G258 VanDerWaalsContact O-N 3.15Å; S255-G287 WeakPolarHBondContact CB-O 3.49Å; S255-G287 WeakPolarHBondContact OG-CA 3.22Å
256N95.5Very high96.6Very high92 Ų9222.5 Ų22.549%0.49213%0.129SC..Hα-helixtrans-63-31.1179.7-74.1-16.8000112.2P221 L252 L253P221-N256 PolarHBondContact O-ND2 3.32Å; L252-N256 VanDerWaalsContact O-CB 3.26Å; L252-N256 WeakPolarHBondContact O-CB 3.2Å; L252-N256 PolarHBondContact O-N 3.32Å; L252-N256 PolarHBondContact O-ND2 3.43Å; L253-N256 PolarHBondContact O-N 2.96Å
257C96.3Very high96.4Very high6 Ų621.7 Ų21.74%0.04114%0.137CC..Hα-helixtrans-91.8-4.3178.5-66.50000113.5H223 Y226 L253 G254 S255 L259H223-C257 VanDerWaalsContact CB-SG 3.54Å; Y226-C257 HydrophobicContact CD1-CB 4.06Å; Y226-C257 HydrophobicContact CG-CB 4.13Å; L253-C257 WeakPolarHBondContact O-CB 3.41Å; L253-C257 PolarHBondContact O-N 3.42Å; L253-C257 PolarHBondContact O-SG 3.49Å; G254-C257 PolarHBondContact O-N 3.36Å; S255-C257 PolarHBondContact O-N 2.94Å; C257-L259 VanDerWaalsContact C-N 3.31Å; C257-L259 HydrophobicContact CB-CD1 4Å; C257-L259 HydrophobicContact CB-CD2 3.85Å; C257-L259 HydrophobicContact CB-CG 3.63Å
258G96Very high96.1Very high49 Ų4925.5 Ų25.551%0.50516%0.16SC..THydrogen-bonded Turntrans68.328.3-176.300000113.8G254 S255G254-G258 PolarHBondContact O-N 3.21Å; S255-G258 PolarHBondContact O-N 3.35Å; S255-G258 VanDerWaalsContact O-N 3.15Å
259L97.9Very high96.1Very high9 Ų923.3 Ų23.35%0.04715%0.15CC..  trans-86159.1176-39.3-178.9000109.6Y226 R237 C240 M242 G254 C257Y226-L259 HydrophobicContact CD2-CD1 3.78Å; Y226-L259 HydrophobicContact CD2-CD2 4.07Å; Y226-L259 HydrophobicContact CE2-CD1 4.07Å; Y226-L259 HydrophobicContact CE2-CD2 3.6Å; Y226-L259 HydrophobicContact CE2-CG 4.5Å; Y226-L259 HydrophobicContact CG-CD1 4.49Å; R237-L259 HydrophobicContact CB-CD2 3.75Å; C240-L259 HydrophobicContact CB-CB 4.36Å; C240-L259 HydrophobicContact CB-CD1 4.43Å; C240-L259 HydrophobicContact CB-CD2 3.73Å; C240-L259 HydrophobicContact CB-CG 4.36Å; M242-L259 HydrophobicContact CB-CD1 4.2Å; G254-L259 PolarHBondContact O-N 3.23Å; C257-L259 VanDerWaalsContact C-N 3.31Å; C257-L259 HydrophobicContact CB-CD1 4Å; C257-L259 HydrophobicContact CB-CD2 3.85Å; C257-L259 HydrophobicContact CB-CG 3.63Å
260K98Very high96.2Very high63 Ų6326.3 Ų26.327%0.27417%0.168SC..EExtended strand (participates in β ladder)trans-66.4149.5162.4-66.5-179.7-175.5-66.80109.1S20 V21 C240 L241 M242 D291S20-K260 VanDerWaalsContact OG-CE 3.27Å; S20-K260 WeakPolarHBondContact OG-CE 3.48Å; V21-K260 HydrophobicContact CG1-CD 3.79Å; C240-K260 PolarHBondContact O-N 2.68Å; L241-K260 CarbonylContact C-O 3.43Å; L241-K260 WeakPolarHBondContact CA-O 3.4Å; L241-K260 HydrophobicContact CD1-CB 3.69Å; M242-K260 PolarHBondContact N-O 3.42Å; K260-D291 WeakPolarHBondContact CA-OD2 3.13Å
261T98.5Very high96.1Very high2 Ų227.4 Ų27.41%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-126.2133.8-176.948.80000112M242 I251 P290 D291 Y292M242-T261 WeakPolarHBondContact O-CA 3.35Å; I251-T261 HydrophobicContact CG2-CG2 4.19Å; T261-P290 WeakPolarHBondContact OG1-CA 3.41Å; T261-D291 PolarHBondContact N-OD2 3.26Å; T261-D291 PolarHBondContact O-N 3.5Å; T261-D291 PolarHBondContact OG1-N 3.11Å; T261-D291 PolarHBondContact OG1-OD2 2.7Å; T261-Y292 PolarHBondContact O-N 3.43Å; T261-Y292 VanDerWaalsContact O-N 3.08Å
262L98.5Very high96.1Very high0 Ų030.3 Ų30.30%020%0.199CC..EExtended strand (participates in β ladder)trans-127.4114.1175.7174.359000109.7L9 M17 L241 M242 V243 G244 Y292 V294 L300L9-L262 HydrophobicContact CD1-CD1 3.56Å; L9-L262 HydrophobicContact CD1-CD2 4.11Å; L9-L262 HydrophobicContact CD1-CG 4.45Å; L9-L262 HydrophobicContact CG-CD1 4.39Å; M17-L262 HydrophobicContact CE-CD2 4.37Å; L241-L262 HydrophobicContact CD1-CB 3.97Å; L241-L262 HydrophobicContact CD2-CB 4.34Å; L241-L262 HydrophobicContact CD2-CD2 4.26Å; L241-L262 HydrophobicContact CG-CB 4.36Å; M242-L262 PolarHBondContact O-N 3.07Å; V243-L262 WeakPolarHBondContact CA-O 3.45Å; V243-L262 HydrophobicContact CG1-CB 4.47Å; V243-L262 HydrophobicContact CG1-CD2 4.24Å; V243-L262 HydrophobicContact CG1-CG 4.26Å; V243-L262 HydrophobicContact CG2-CB 4.23Å; V243-L262 HydrophobicContact CG2-CD2 4.2Å; G244-L262 PolarHBondContact N-O 3.19Å; L262-Y292 WeakPolarHBondContact CA-O 3.33Å; L262-V294 HydrophobicContact CD1-CG1 4.09Å; L262-V294 HydrophobicContact CD1-CG2 4.01Å; L262-V294 HydrophobicContact CD2-CG2 4.34Å; L262-V294 HydrophobicContact CG-CG2 4.29Å; L262-L300 HydrophobicContact CD2-CD1 4.43Å
263L98.6Very high96Very high0 Ų032.5 Ų32.50%021%0.211CC..EExtended strand (participates in β ladder)trans-81.2132.1170.8177.567.7000110.3G244 L247 I251 L265 P290 Y292 Y293 V294G244-L263 CarbonylContact O-C 3.56Å; G244-L263 WeakPolarHBondContact O-CA 3.44Å; L247-L263 HydrophobicContact CD2-CD1 3.95Å; L247-L263 HydrophobicContact CD2-CD2 3.92Å; L247-L263 HydrophobicContact CD2-CG 4.44Å; I251-L263 HydrophobicContact CD1-CB 4.17Å; I251-L263 HydrophobicContact CG1-CD1 4.48Å; L263-L265 HydrophobicContact CD2-CD2 3.82Å; L263-L265 HydrophobicContact CG-CD2 4.11Å; L263-P290 HydrophobicContact CB-CB 3.97Å; L263-P290 HydrophobicContact CB-CG 3.91Å; L263-P290 HydrophobicContact CD2-CG 4.31Å; L263-Y292 PolarHBondContact N-O 3.19Å; L263-Y293 CarbonylContact O-C 3.55Å; L263-Y293 WeakPolarHBondContact O-CA 3.4Å; L263-V294 PolarHBondContact O-N 2.99Å
264T98.1Very high95.9Very high0 Ų032.5 Ų32.50%021%0.211CC..EExtended strand (participates in β ladder)trans-107.1140.7164.8-171.30000110.6V31 G244 D245 T266 V294 E295 S296 I297V31-T264 HydrophobicContact CB-CG2 4.16Å; V31-T264 HydrophobicContact CG1-CG2 4.03Å; V31-T264 HydrophobicContact CG2-CG2 3.79Å; G244-T264 PolarHBondContact O-N 2.95Å; D245-T264 HydrophobicContact CB-CG2 4.2Å; T264-T266 VanDerWaalsContact C-N 3.26Å; T264-T266 WeakPolarHBondContact CG2-OG1 3.46Å; T264-T266 PolarHBondContact O-N 3.39Å; T264-T266 PolarHBondContact OG1-OG1 2.91Å; T264-V294 WeakPolarHBondContact CA-O 3.37Å; T264-E295 PolarHBondContact OG1-O 3.19Å; T264-S296 WeakPolarHBondContact OG1-CA 3.43Å; T264-I297 HydrophobicContact CG2-CG2 4.39Å
265L96.8Very high95.7Very high43 Ų4337 Ų3723%0.22523%0.231CC..THydrogen-bonded Turntrans-90.414.4-176.9-53.4177.7000113.2L263 G267 V271 Y293 V294 E295L263-L265 HydrophobicContact CD2-CD2 3.82Å; L263-L265 HydrophobicContact CG-CD2 4.11Å; L265-G267 VanDerWaalsContact C-N 3.26Å; L265-G267 PolarHBondContact O-N 2.99Å; L265-V271 HydrophobicContact CD1-CG2 3.57Å; L265-V271 HydrophobicContact CD2-CG2 3.84Å; L265-V271 HydrophobicContact CG-CG2 4.32Å; L265-Y293 HydrophobicContact CD1-CD2 4.07Å; L265-Y293 HydrophobicContact CD1-CE2 4.41Å; L265-V294 WeakPolarHBondContact CG-O 3.46Å; L265-V294 PolarHBondContact N-O 3.46Å; L265-E295 CarbonylContact C-O 3.6Å; L265-E295 PolarHBondContact N-O 2.92Å
266T94.6Very high95.7Very high15 Ų1537.3 Ų37.39%0.09224%0.237CC..THydrogen-bonded Turntrans-81.52.5175.948.30000114G30 R34 I39 T264 E295G30-T266 CarbonylContact O-C 3.51Å; G30-T266 WeakPolarHBondContact O-CB 3.46Å; G30-T266 PolarHBondContact O-OG1 3.2Å; R34-T266 PolarHBondContact NE-O 3.35Å; R34-T266 VanDerWaalsContact NH2-C 3.34Å; R34-T266 PolarHBondContact NH2-O 3.08Å; I39-T266 HydrophobicContact CD1-CG2 4.23Å; I39-T266 HydrophobicContact CG2-CG2 4.19Å; T264-T266 VanDerWaalsContact C-N 3.26Å; T264-T266 WeakPolarHBondContact CG2-OG1 3.46Å; T264-T266 PolarHBondContact O-N 3.39Å; T264-T266 PolarHBondContact OG1-OG1 2.91Å; T266-E295 WeakPolarHBondContact CG2-O 3.17Å; T266-E295 PolarHBondContact N-O 2.87Å
267G90.2Very high95.6Very high33 Ų3334.8 Ų34.834%0.3422%0.222SC..SBendtrans-132.6-125.5-176.800000114G30 D245 L265G30-G267 PolarHBondContact O-N 2.89Å; D245-G267 WeakPolarHBondContact OD2-CA 3.17Å; L265-G267 VanDerWaalsContact C-N 3.26Å; L265-G267 PolarHBondContact O-N 2.99Å
268V90.2Very high95.4Very high83 Ų8338.4 Ų38.450%0.50324%0.239SC..SBendtrans-84.1-49.2-164.8177.30000113.8D245 R246D245-V268 WeakPolarHBondContact OD2-CG2 3.44Å; D245-V268 PolarHBondContact OD2-N 3.25Å; R246-V268 HydrophobicContact CG-CB 4.28Å; R246-V268 HydrophobicContact CG-CG1 4.32Å
269S93.6Very high95.2Very high16 Ų1643.9 Ų43.911%0.11225%0.251CS..  trans-90.2151.3-170.6-65.40000113.2D245 L247D245-S269 VanDerWaalsContact O-CB 3.28Å; D245-S269 WeakPolarHBondContact O-CB 3.26Å; D245-S269 PolarHBondContact O-N 3.49Å; L247-S269 PolarHBondContact N-OG 2.68Å
270T95.5Very high94.8Very high69 Ų6945.6 Ų45.642%0.42326%0.263SS..  trans-107.9165.7177.568.30000112.1A272 D273 A274T270-A272 VanDerWaalsContact C-N 3.26Å; T270-A272 PolarHBondContact O-N 3.16Å; T270-D273 WeakPolarHBondContact CB-OD2 3.28Å; T270-D273 PolarHBondContact N-OD2 3.26Å; T270-D273 WeakPolarHBondContact O-CB 3.35Å; T270-D273 PolarHBondContact O-N 3.39Å; T270-D273 PolarHBondContact OG1-N 3.03Å; T270-D273 PolarHBondContact OG1-OD2 2.8Å; T270-A274 PolarHBondContact O-N 2.9Å
271V95.9Very high94Very high26 Ų2645.4 Ų45.416%0.15828%0.28CS..Hα-helixtrans-60.7-39.1171.3-177.40000110.8L265 D273 A274 E275 Y293L265-V271 HydrophobicContact CD1-CG2 3.57Å; L265-V271 HydrophobicContact CD2-CG2 3.84Å; L265-V271 HydrophobicContact CG-CG2 4.32Å; V271-D273 VanDerWaalsContact C-N 3.28Å; V271-D273 PolarHBondContact O-N 2.87Å; V271-A274 WeakPolarHBondContact O-CB 3.13Å; V271-A274 PolarHBondContact O-N 3.37Å; V271-E275 HydrophobicContact CG1-CG 4.21Å; V271-E275 WeakPolarHBondContact O-CG 3.13Å; V271-E275 PolarHBondContact O-N 3.3Å; V271-Y293 HydrophobicContact CG1-CE1 4.27Å; V271-Y293 HydrophobicContact CG2-CD2 3.68Å; V271-Y293 HydrophobicContact CG2-CE2 3.58Å; V271-Y293 HydrophobicContact CG2-CG 4.19Å
272A96.3Very high93.6Very high61 Ų6147.6 Ų47.650%0.50429%0.294SS..Hα-helixtrans-61.2-36.2177.900000112.2T270 A274 A276T270-A272 VanDerWaalsContact C-N 3.26Å; T270-A272 PolarHBondContact O-N 3.16Å; A272-A274 VanDerWaalsContact C-N 3.33Å; A272-A276 VanDerWaalsContact O-CB 3.3Å; A272-A276 WeakPolarHBondContact O-CB 3.5Å; A272-A276 PolarHBondContact O-N 2.96Å
273D95.4Very high92.9Very high72 Ų7252.8 Ų52.839%0.38533%0.328SS..Hα-helixtrans-63.6-41174.1-60.8-50.5000111.5L247 T270 V271 H277L247-D273 HydrophobicContact CD1-CB 3.71Å; T270-D273 WeakPolarHBondContact CB-OD2 3.28Å; T270-D273 PolarHBondContact N-OD2 3.26Å; T270-D273 WeakPolarHBondContact O-CB 3.35Å; T270-D273 PolarHBondContact O-N 3.39Å; T270-D273 PolarHBondContact OG1-N 3.03Å; T270-D273 PolarHBondContact OG1-OD2 2.8Å; V271-D273 VanDerWaalsContact C-N 3.28Å; V271-D273 PolarHBondContact O-N 2.87Å; D273-H277 PolarHBondContact O-N 3.31Å; D273-H277 VanDerWaalsContact O-N 3.07Å
274A94.5Very high92.2Very high0 Ų061.1 Ų61.10%036%0.364CS..Hα-helixtrans-68.1-42.9178.500000112.1L247 T270 V271 A272 H277 Q278 P290L247-A274 HydrophobicContact CD1-CB 3.94Å; L247-A274 HydrophobicContact CD2-CB 4.28Å; T270-A274 PolarHBondContact O-N 2.9Å; V271-A274 WeakPolarHBondContact O-CB 3.13Å; V271-A274 PolarHBondContact O-N 3.37Å; A272-A274 VanDerWaalsContact C-N 3.33Å; A274-H277 WeakPolarHBondContact O-CB 3.27Å; A274-H277 PolarHBondContact O-N 3.04Å; A274-Q278 PolarHBondContact O-N 3.34Å; A274-P290 HydrophobicContact CB-CG 4.31Å
275E94.2Very high91.9Very high93 Ų9367 Ų6744%0.43539%0.387SS..Hα-helixtrans-61.9-44.6174.5-70.8173.1161.600111V271 H277 Q278 E279V271-E275 HydrophobicContact CG1-CG 4.21Å; V271-E275 WeakPolarHBondContact O-CG 3.13Å; V271-E275 PolarHBondContact O-N 3.3Å; E275-H277 VanDerWaalsContact C-N 3.27Å; E275-H277 PolarHBondContact O-N 2.78Å; E275-Q278 WeakPolarHBondContact O-CA 3.43Å; E275-Q278 WeakPolarHBondContact O-CB 3.25Å; E275-Q278 PolarHBondContact O-N 3.49Å; E275-E279 WeakPolarHBondContact O-CG 3.33Å; E275-E279 PolarHBondContact O-N 2.65Å
276A94.4Very high91.7Very high52 Ų5268.6 Ų68.643%0.4340%0.395SS..Hα-helixtrans-61-35.4175.700000112.5A272 S280A272-A276 VanDerWaalsContact O-CB 3.3Å; A272-A276 WeakPolarHBondContact O-CB 3.5Å; A272-A276 PolarHBondContact O-N 2.96Å; A276-S280 WeakPolarHBondContact O-CB 3.33Å; A276-S280 PolarHBondContact O-N 3.21Å
277H93.6Very high91.6Very high38 Ų3868.4 Ų68.418%0.17640%0.396CS..Hα-helixtrans-67.1-40.2171.4-76.8-23.4000112.6D273 A274 E275 S280 R285 M288 V289D273-H277 PolarHBondContact O-N 3.31Å; D273-H277 VanDerWaalsContact O-N 3.07Å; A274-H277 WeakPolarHBondContact O-CB 3.27Å; A274-H277 PolarHBondContact O-N 3.04Å; E275-H277 VanDerWaalsContact C-N 3.27Å; E275-H277 PolarHBondContact O-N 2.78Å; H277-S280 WeakPolarHBondContact O-CB 3.45Å; H277-S280 PolarHBondContact O-N 2.88Å; H277-S280 PolarHBondContact O-OG 3.38Å; H277-R285 HydrophobicContact CB-CB 4.14Å; H277-M288 VanDerWaalsContact CD2-CB 3.49Å; H277-M288 WeakPolarHBondContact CD2-CB 3.46Å; H277-V289 HydrophobicContact CB-CG2 3.84Å
278Q92Very high91.8Very high83 Ų8368.5 Ų68.539%0.38839%0.388SS..Hα-helixtrans-64.3-43.8177.9-174.3168.90.900112.3A274 E275 S280 V289A274-Q278 PolarHBondContact O-N 3.34Å; E275-Q278 WeakPolarHBondContact O-CA 3.43Å; E275-Q278 WeakPolarHBondContact O-CB 3.25Å; E275-Q278 PolarHBondContact O-N 3.49Å; Q278-S280 VanDerWaalsContact C-N 3.28Å; Q278-S280 PolarHBondContact O-N 3.26Å; Q278-V289 HydrophobicContact CB-CG1 4.15Å; Q278-V289 HydrophobicContact CB-CG2 3.88Å; Q278-V289 HydrophobicContact CG-CG1 4.5Å
279E92.5Very high92.2Very high164 Ų16464.6 Ų64.677%0.76636%0.364SS*.Hα-helixtrans-72.4-20.8179.3-68.4176.9176.400113.2E275 G281E275-E279 WeakPolarHBondContact O-CG 3.33Å; E275-E279 PolarHBondContact O-N 2.65Å; E279-G281 PolarHBondContact O-N 3.46Å; E279-G281 VanDerWaalsContact O-N 3.1Å
280S90.6Very high92.3Very high44 Ų4463.9 Ų63.931%0.30836%0.359SS..THydrogen-bonded Turntrans-65-17.7-173.473.80000115.3A276 H277 Q278 C282 R285A276-S280 WeakPolarHBondContact O-CB 3.33Å; A276-S280 PolarHBondContact O-N 3.21Å; H277-S280 WeakPolarHBondContact O-CB 3.45Å; H277-S280 PolarHBondContact O-N 2.88Å; H277-S280 PolarHBondContact O-OG 3.38Å; Q278-S280 VanDerWaalsContact C-N 3.28Å; Q278-S280 PolarHBondContact O-N 3.26Å; S280-C282 PolarHBondContact O-N 2.66Å; S280-C282 PolarHBondContact OG-N 3.43Å; S280-R285 WeakPolarHBondContact OG-CB 3.47Å; S280-R285 VanDerWaalsContact OG-CD 3.28Å; S280-R285 WeakPolarHBondContact OG-CD 3.44Å
281G81.1Confident92.4Very high60 Ų6062 Ų6262%0.61935%0.347SS*.  trans62.12.6-174.700000115E279 P283E279-G281 PolarHBondContact O-N 3.46Å; E279-G281 VanDerWaalsContact O-N 3.1Å; G281-P283 WeakPolarHBondContact O-CD 3.49Å
282C88.3Confident92.5Very high47 Ų4761.8 Ų61.832%0.31834%0.343SS..  trans-83.8120.3-177.5177.90000110.3S280 K284 R285 L286S280-C282 PolarHBondContact O-N 2.66Å; S280-C282 PolarHBondContact OG-N 3.43Å; C282-K284 PolarHBondContact O-N 3.43Å; C282-K284 VanDerWaalsContact O-N 3.1Å; C282-R285 HydrophobicContact CB-CB 4.04Å; C282-R285 HydrophobicContact CB-CG 4.01Å; C282-R285 PolarHBondContact O-N 2.92Å; C282-L286 PolarHBondContact O-N 2.84Å
283P84.8Confident92.6Very high109 Ų10960.7 Ų60.771%0.70833%0.326SS*.Hα-helixtrans-54.9-35.4-178.1-28.735.5000114.2G281 L286G281-P283 WeakPolarHBondContact O-CD 3.49Å; P283-L286 PolarHBondContact O-N 3.19Å
284K84.3Confident92.7Very high176 Ų17657.2 Ų57.277%0.76531%0.308SS*.Hα-helixtrans-66.4-37.6176.7-69.1-173.7176.5-177.40112.5C282C282-K284 PolarHBondContact O-N 3.43Å; C282-K284 VanDerWaalsContact O-N 3.1Å
285R91.3Very high92.9Very high124 Ų12461.2 Ų61.247%0.46833%0.326SS..Hα-helixtrans-77.2-27.7179.6-68.1-178.1172.8-172.3-0.1112H277 S280 C282 G287 M288H277-R285 HydrophobicContact CB-CB 4.14Å; S280-R285 WeakPolarHBondContact OG-CB 3.47Å; S280-R285 VanDerWaalsContact OG-CD 3.28Å; S280-R285 WeakPolarHBondContact OG-CD 3.44Å; C282-R285 HydrophobicContact CB-CB 4.04Å; C282-R285 HydrophobicContact CB-CG 4.01Å; C282-R285 PolarHBondContact O-N 2.92Å; R285-G287 PolarHBondContact O-N 3.08Å; R285-M288 WeakPolarHBondContact O-CA 3.47Å; R285-M288 WeakPolarHBondContact O-CB 3.27Å; R285-M288 PolarHBondContact O-N 3.34Å
286L91.8Very high93Very high76 Ų7657.8 Ų57.840%0.39831%0.313SS..Hα-helixtrans-62.4-26173.6-66.8178.5000113.3K5 C282 P283 M288 V289K5-L286 PolarHBondContact NZ-O 3.36Å; C282-L286 PolarHBondContact O-N 2.84Å; P283-L286 PolarHBondContact O-N 3.19Å; L286-M288 PolarHBondContact O-N 2.82Å; L286-V289 PolarHBondContact O-N 3.27Å
287G92.8Very high93.2Very high11 Ų1155.3 Ų55.311%0.11329%0.292CS..THydrogen-bonded Turntrans-71.3-17.117100000114S255 R285S255-G287 WeakPolarHBondContact CB-O 3.49Å; S255-G287 WeakPolarHBondContact OG-CA 3.22Å; R285-G287 PolarHBondContact O-N 3.08Å
288M95.8Very high93.4Very high35 Ų3554.8 Ų54.817%0.17229%0.294CS..THydrogen-bonded Turntrans-93.51176.1-61173.2176.400112.2L247 D248 L252 H277 R285 L286L247-M288 HydrophobicContact CB-CB 4.17Å; L247-M288 WeakPolarHBondContact CD2-O 3.31Å; D248-M288 HydrophobicContact CB-CE 3.93Å; D248-M288 HydrophobicContact CB-SD 4.33Å; L252-M288 HydrophobicContact CB-CG 4.28Å; L252-M288 HydrophobicContact CD1-CG 4.26Å; L252-M288 HydrophobicContact CD2-CE 3.77Å; L252-M288 HydrophobicContact CD2-CG 4.34Å; H277-M288 VanDerWaalsContact CD2-CB 3.49Å; H277-M288 WeakPolarHBondContact CD2-CB 3.46Å; R285-M288 WeakPolarHBondContact O-CA 3.47Å; R285-M288 WeakPolarHBondContact O-CB 3.27Å; R285-M288 PolarHBondContact O-N 3.34Å; L286-M288 PolarHBondContact O-N 2.82Å
289V96.9Very high93.6Very high1 Ų153.6 Ų53.61%0.00629%0.289CS..SBendtrans-90117.7175.9-173.90000108.7K5 C6 H277 Q278 L286K5-V289 HydrophobicContact CB-CG1 3.9Å; K5-V289 HydrophobicContact CD-CB 4.25Å; K5-V289 HydrophobicContact CD-CG1 4.19Å; K5-V289 PolarHBondContact NZ-O 3.34Å; C6-V289 HydrophobicContact CB-CG1 3.96Å; H277-V289 HydrophobicContact CB-CG2 3.84Å; Q278-V289 HydrophobicContact CB-CG1 4.15Å; Q278-V289 HydrophobicContact CB-CG2 3.88Å; Q278-V289 HydrophobicContact CG-CG1 4.5Å; L286-V289 PolarHBondContact O-N 3.27Å
290P97.5Very high93.8Very high0 Ų045.9 Ų45.90%025%0.253CS..  trans-70.5158.2-178.732.9-36.3000110.5C6 I251 T261 L263 A274 Y292C6-P290 WeakPolarHBondContact CA-O 3.32Å; C6-P290 PolarHBondContact N-O 3.15Å; I251-P290 HydrophobicContact CD1-CB 3.99Å; I251-P290 HydrophobicContact CG1-CB 4.2Å; I251-P290 HydrophobicContact CG2-CB 3.88Å; T261-P290 WeakPolarHBondContact OG1-CA 3.41Å; L263-P290 HydrophobicContact CB-CB 3.97Å; L263-P290 HydrophobicContact CB-CG 3.91Å; L263-P290 HydrophobicContact CD2-CG 4.31Å; A274-P290 HydrophobicContact CB-CG 4.31Å; P290-Y292 VanDerWaalsContact C-N 3.32Å; P290-Y292 WeakPolarHBondContact CB-O 3.21Å
291D97.4Very high94.1Very high31 Ų3145.1 Ų45.117%0.16625%0.245CC..SBendtrans-70.5-39.8169.8-56.4-55.2000109.7C6 T7 K260 T261C6-D291 PolarHBondContact N-O 2.66Å; T7-D291 PolarHBondContact N-O 3.25Å; T7-D291 VanDerWaalsContact N-O 3.08Å; K260-D291 WeakPolarHBondContact CA-OD2 3.13Å; T261-D291 PolarHBondContact N-OD2 3.26Å; T261-D291 PolarHBondContact O-N 3.5Å; T261-D291 PolarHBondContact OG1-N 3.11Å; T261-D291 PolarHBondContact OG1-OD2 2.7Å
292Y97.9Very high94.7Very high21 Ų2146.4 Ų46.48%0.08224%0.243CC..EExtended strand (participates in β ladder)trans-137.1156.8-171.6-63.3-60.4000113.3T7 L9 L13 M17 T261 L262 L263 P290T7-Y292 CarbonylContact O-C 3.58Å; T7-Y292 VanDerWaalsContact O-CA 3.22Å; T7-Y292 WeakPolarHBondContact O-CA 3.46Å; L9-Y292 HydrophobicContact CD1-CG 4.11Å; L9-Y292 HydrophobicContact CD2-CD1 3.4Å; L9-Y292 HydrophobicContact CD2-CD2 4.4Å; L9-Y292 HydrophobicContact CD2-CE1 3.85Å; L9-Y292 HydrophobicContact CD2-CG 3.72Å; L9-Y292 HydrophobicContact CG-CD1 3.83Å; L9-Y292 HydrophobicContact CG-CG 3.83Å; L13-Y292 HydrophobicContact CD1-CE1 4.4Å; L13-Y292 HydrophobicContact CD2-CD1 4.31Å; L13-Y292 HydrophobicContact CD2-CE1 3.95Å; L13-Y292 HydrophobicContact CG-CE1 4.2Å; M17-Y292 HydrophobicContact CG-CD2 4.07Å; M17-Y292 HydrophobicContact CG-CE2 3.88Å; T261-Y292 PolarHBondContact O-N 3.43Å; T261-Y292 VanDerWaalsContact O-N 3.08Å; L262-Y292 WeakPolarHBondContact CA-O 3.33Å; L263-Y292 PolarHBondContact N-O 3.19Å; P290-Y292 VanDerWaalsContact C-N 3.32Å; P290-Y292 WeakPolarHBondContact CB-O 3.21Å
293Y98.1Very high95Very high37 Ų3745.7 Ų45.715%0.14524%0.24CC..EExtended strand (participates in β ladder)trans-139.6155.4166.375.6-87.1000113.6C6 T7 R8 L9 L263 L265 V271C6-Y293 WeakPolarHBondContact O-CE1 3.37Å; T7-Y293 PolarHBondContact O-N 2.81Å; R8-Y293 HydrophobicContact CB-CD1 4.39Å; R8-Y293 HydrophobicContact CB-CE1 3.7Å; R8-Y293 HydrophobicContact CB-CE2 3.99Å; R8-Y293 VanDerWaalsContact CB-CZ 3.48Å; R8-Y293 HydrophobicContact CG-CD2 4.41Å; R8-Y293 HydrophobicContact CG-CE1 4.45Å; R8-Y293 HydrophobicContact CG-CE2 3.84Å; R8-Y293 VanDerWaalsContact N-CE1 3.26Å; L9-Y293 PolarHBondContact N-O 3.15Å; L263-Y293 CarbonylContact O-C 3.55Å; L263-Y293 WeakPolarHBondContact O-CA 3.4Å; L265-Y293 HydrophobicContact CD1-CD2 4.07Å; L265-Y293 HydrophobicContact CD1-CE2 4.41Å; V271-Y293 HydrophobicContact CG1-CE1 4.27Å; V271-Y293 HydrophobicContact CG2-CD2 3.68Å; V271-Y293 HydrophobicContact CG2-CE2 3.58Å; V271-Y293 HydrophobicContact CG2-CG 4.19Å
294V98Very high95.4Very high0 Ų041.2 Ų41.20%021%0.21CC..EExtended strand (participates in β ladder)trans-138.7154174.3-710000110.3L9 L262 L263 T264 L265 S296 E299L9-V294 HydrophobicContact CB-CG1 3.77Å; L9-V294 HydrophobicContact CD1-CG1 4.19Å; L9-V294 HydrophobicContact CG-CG1 4.49Å; L262-V294 HydrophobicContact CD1-CG1 4.09Å; L262-V294 HydrophobicContact CD1-CG2 4.01Å; L262-V294 HydrophobicContact CD2-CG2 4.34Å; L262-V294 HydrophobicContact CG-CG2 4.29Å; L263-V294 PolarHBondContact O-N 2.99Å; T264-V294 WeakPolarHBondContact CA-O 3.37Å; L265-V294 WeakPolarHBondContact CG-O 3.46Å; L265-V294 PolarHBondContact N-O 3.46Å; V294-S296 VanDerWaalsContact C-N 3.34Å; V294-E299 HydrophobicContact CB-CB 4.45Å; V294-E299 WeakPolarHBondContact CB-OE2 3.42Å; V294-E299 HydrophobicContact CG1-CB 4.34Å
295E97.3Very high95.7Very high83 Ų8339.4 Ų39.439%0.38820%0.204SC..SBendtrans-63.8-46.2174.1-62.1-66.4161.200110.5R8 T264 L265 T266 E299R8-E295 IonicContact CZ-OE1 3.81Å; R8-E295 IonicContact NH1-OE1 2.85Å; R8-E295 PolarHBondContact NH1-OE1 3.4Å; R8-E295 IonicContact NH2-OE1 3.71Å; R8-E295 PolarHBondContact NH2-OE1 3.02Å; T264-E295 PolarHBondContact OG1-O 3.19Å; L265-E295 CarbonylContact C-O 3.6Å; L265-E295 PolarHBondContact N-O 2.92Å; T266-E295 WeakPolarHBondContact CG2-O 3.17Å; T266-E295 PolarHBondContact N-O 2.87Å; E295-E299 WeakPolarHBondContact CG-OE1 3.43Å; E295-E299 PolarHBondContact N-OE2 3.48Å
296S97.6Very high94.7Very high22 Ų2239.4 Ų39.415%0.15424%0.243CC..  trans-144.6150.2176.8170.40000109T264 V294 A298 E299T264-S296 WeakPolarHBondContact OG1-CA 3.43Å; V294-S296 VanDerWaalsContact C-N 3.34Å; S296-A298 PolarHBondContact O-N 2.79Å; S296-A298 WeakPolarHBondContact OG-CB 3.46Å; S296-A298 PolarHBondContact OG-N 2.99Å; S296-E299 WeakPolarHBondContact O-CB 3.41Å; S296-E299 PolarHBondContact O-N 3.3Å
297I98.1Very high94.8Very high0 Ų037.6 Ų37.60%024%0.235CC..G310 helixtrans-59.1-18.5172.866.3169.4000112.6F26 V31 I32 A42 V45 V243 T264 E299 L300F26-I297 HydrophobicContact CD1-CD1 4.36Å; F26-I297 HydrophobicContact CE1-CD1 4.04Å; F26-I297 HydrophobicContact CE1-CG2 4.24Å; V31-I297 HydrophobicContact CG1-CG2 4.23Å; I32-I297 HydrophobicContact CG2-CD1 3.81Å; A42-I297 HydrophobicContact CB-CD1 3.74Å; A42-I297 HydrophobicContact CB-CG1 4.18Å; V45-I297 VanDerWaalsContact CG2-O 3.28Å; V45-I297 WeakPolarHBondContact CG2-O 3.27Å; V243-I297 HydrophobicContact CG1-CG2 3.74Å; T264-I297 HydrophobicContact CG2-CG2 4.39Å; I297-E299 PolarHBondContact O-N 2.72Å; I297-L300 VanDerWaalsContact O-CB 3.27Å; I297-L300 WeakPolarHBondContact O-CB 3.49Å; I297-L300 VanDerWaalsContact O-CG 3.25Å; I297-L300 WeakPolarHBondContact O-CG 3.46Å; I297-L300 PolarHBondContact O-N 3.17Å
298A97.4Very high94.9Very high26 Ų2639 Ų3922%0.21524%0.242CC..G310 helixtrans-58.2-24172.100000113.4P40 S296 L300 L301P40-A298 WeakPolarHBondContact O-CB 3.28Å; S296-A298 PolarHBondContact O-N 2.79Å; S296-A298 WeakPolarHBondContact OG-CB 3.46Å; S296-A298 PolarHBondContact OG-N 2.99Å; A298-L300 PolarHBondContact O-N 3.3Å; A298-L300 VanDerWaalsContact O-N 3.11Å; A298-L301 HydrophobicContact CB-CD1 4.42Å; A298-L301 WeakPolarHBondContact O-CB 2.89Å; A298-L301 WeakPolarHBondContact O-CG 3.46Å; A298-L301 PolarHBondContact O-N 3.32Å
299E96.9Very high94.9Very high59 Ų5939.2 Ų39.228%0.27625%0.246SC..G310 helixtrans-63.2-14.6174.2-67-171.9158.600112.7R8 I14 V294 E295 S296 I297 L301 P302R8-E299 IonicContact NH2-OE1 2.78Å; R8-E299 PolarHBondContact NH2-OE1 3.02Å; I14-E299 WeakPolarHBondContact CD1-O 3.48Å; V294-E299 HydrophobicContact CB-CB 4.45Å; V294-E299 WeakPolarHBondContact CB-OE2 3.42Å; V294-E299 HydrophobicContact CG1-CB 4.34Å; E295-E299 WeakPolarHBondContact CG-OE1 3.43Å; E295-E299 PolarHBondContact N-OE2 3.48Å; S296-E299 WeakPolarHBondContact O-CB 3.41Å; S296-E299 PolarHBondContact O-N 3.3Å; I297-E299 PolarHBondContact O-N 2.72Å; E299-L301 VanDerWaalsContact C-N 3.33Å; E299-P302 WeakPolarHBondContact O-CD 3.35Å
300L97.1Very high94.8Very high1 Ų141.5 Ų41.51%0.00526%0.26CS..G310 helixtrans-76.1-17.9174.3-55.7178.8000113.2I14 M17 V45 L262 I297 A298 A303 L304I14-L300 HydrophobicContact CG1-CD2 4.44Å; I14-L300 HydrophobicContact CG2-CD2 3.71Å; M17-L300 HydrophobicContact CE-CD2 4.13Å; V45-L300 HydrophobicContact CG1-CB 4.29Å; V45-L300 HydrophobicContact CG1-CD1 4.09Å; L262-L300 HydrophobicContact CD2-CD1 4.43Å; I297-L300 VanDerWaalsContact O-CB 3.27Å; I297-L300 WeakPolarHBondContact O-CB 3.49Å; I297-L300 VanDerWaalsContact O-CG 3.25Å; I297-L300 WeakPolarHBondContact O-CG 3.46Å; I297-L300 PolarHBondContact O-N 3.17Å; A298-L300 PolarHBondContact O-N 3.3Å; A298-L300 VanDerWaalsContact O-N 3.11Å; L300-A303 PolarHBondContact O-N 2.88Å; L300-L304 HydrophobicContact CB-CD1 4.24Å; L300-L304 WeakPolarHBondContact O-CG 3.18Å; L300-L304 PolarHBondContact O-N 2.78Å
301L96.4Very high94.6Very high28 Ų2844.1 Ų44.115%0.14728%0.276CS..Hα-helixtrans-56.8-47.4-173.7-73.3171.7000114.4D44 V45 L48 A298 E299 A303 L304 Q305D44-L301 HydrophobicContact CB-CD2 3.71Å; V45-L301 HydrophobicContact CB-CD2 4.41Å; V45-L301 HydrophobicContact CG2-CD1 4.41Å; V45-L301 HydrophobicContact CG2-CD2 3.59Å; V45-L301 HydrophobicContact CG2-CG 3.59Å; L48-L301 HydrophobicContact CD1-CD2 3.86Å; A298-L301 HydrophobicContact CB-CD1 4.42Å; A298-L301 WeakPolarHBondContact O-CB 2.89Å; A298-L301 WeakPolarHBondContact O-CG 3.46Å; A298-L301 PolarHBondContact O-N 3.32Å; E299-L301 VanDerWaalsContact C-N 3.33Å; L301-A303 PolarHBondContact O-N 3.11Å; L301-L304 PolarHBondContact O-N 3.49Å; L301-Q305 WeakPolarHBondContact O-CG 3.44Å; L301-Q305 PolarHBondContact O-N 2.78Å; L301-Q305 VanDerWaalsContact O-N 3.09Å
302P93.8Very high94.4Very high88 Ų8844.9 Ų44.957%0.57128%0.283SS*.Hα-helixtrans-57.8-38.3-177.3-25.536.2000112.5E299 L304E299-P302 WeakPolarHBondContact O-CD 3.35Å; P302-L304 VanDerWaalsContact C-N 3.33Å; P302-L304 PolarHBondContact O-N 3.38Å
303A94.1Very high94.2Very high32 Ų3246.6 Ų46.626%0.26430%0.298SS..Hα-helixtrans-73.9-23179.100000113.7I14 L18 L300 L301I14-A303 HydrophobicContact CB-CB 4.23Å; I14-A303 HydrophobicContact CG2-CB 3.47Å; I14-A303 VanDerWaalsContact CG2-CB 3.47Å; L18-A303 HydrophobicContact CD1-CB 4.11Å; L300-A303 PolarHBondContact O-N 2.88Å; L301-A303 PolarHBondContact O-N 3.11Å
304L93.1Very high93.9Very high14 Ų1447.4 Ų47.47%0.07331%0.309CS..Hα-helixtrans-87.1-22.7180-70.8169.7000113.2L18 V45 L48 L49 N52 L300 L301 P302L18-L304 HydrophobicContact CD1-CD2 3.92Å; L18-L304 HydrophobicContact CD1-CG 4.11Å; V45-L304 HydrophobicContact CG1-CD1 4.2Å; L48-L304 HydrophobicContact CB-CB 4.05Å; L48-L304 HydrophobicContact CB-CD1 4.18Å; L48-L304 HydrophobicContact CD1-CB 4.14Å; L49-L304 HydrophobicContact CD2-CD1 4.22Å; L49-L304 HydrophobicContact CD2-CD2 3.78Å; L49-L304 HydrophobicContact CG-CD1 3.99Å; L49-L304 HydrophobicContact CG-CD2 4.25Å; N52-L304 PolarHBondContact ND2-O 2.82Å; L300-L304 HydrophobicContact CB-CD1 4.24Å; L300-L304 WeakPolarHBondContact O-CG 3.18Å; L300-L304 PolarHBondContact O-N 2.78Å; L301-L304 PolarHBondContact O-N 3.49Å; P302-L304 VanDerWaalsContact C-N 3.33Å; P302-L304 PolarHBondContact O-N 3.38Å
305Q89.5Confident93.5Very high139 Ų13951.3 Ų51.365%0.6534%0.335SS*.Hα-helixtrans-88-19.7-176.9-71.6174.6-24.100113.8L48 L301L48-Q305 HydrophobicContact CD1-CG 3.79Å; L301-Q305 WeakPolarHBondContact O-CG 3.44Å; L301-Q305 PolarHBondContact O-N 2.78Å; L301-Q305 VanDerWaalsContact O-N 3.09Å
306G71.2Confident93.2Very high124 Ų12448.5 Ų48.5100%1.27833%0.33SS*.  trans109.30179.900000112.2

Retrieved 306 of 306 residues in 102.5 ms (Link to these results)

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