A0A060WIJ2_ONCMY Loading...

Serine/threonine-protein phosphatase

AlphaFold DB (A0A673YWG3), UniProt , Accession A0A060WIJ2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 323 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
1M42.3Very low70.9Confident250 Ų25099 Ų99100%1.23254%0.538SS*.  0102.10-77.1156.4166.600106.2
2A37.4Very low73.2Confident90 Ų9090.8 Ų90.874%0.74449%0.494SS*.  trans-103.4115-174.600000108.9V4A2-V4 PolarHBondContact O-N 3.38Å
3D47.9Very low75.2Confident101 Ų10185.2 Ų85.254%0.5446%0.463SS..  trans41.242149.3-118.1-8.3000118.2D5 K6D3-D5 PolarHBondContact O-N 3.14Å; D3-K6 PolarHBondContact O-N 3.33Å; D3-K6 WeakPolarHBondContact OD1-CD 3.28Å; D3-K6 VanDerWaalsContact OD1-CE 3.31Å; D3-K6 WeakPolarHBondContact OD1-CE 3.14Å; D3-K6 WeakPolarHBondContact OD1-CG 3.49Å; D3-K6 IonicContact OD1-NZ 3.15Å; D3-K6 PolarHBondContact OD1-NZ 3.16Å; D3-K6 WeakPolarHBondContact OD2-CD 3.3Å; D3-K6 WeakPolarHBondContact OD2-CE 3.41Å; D3-K6 IonicContact OD2-NZ 2.67Å; D3-K6 PolarHBondContact OD2-NZ 2.79Å
4V49.4Very low76.8Confident52 Ų5287.9 Ų87.932%0.31547%0.471SS..G310 helixtrans-64.5-25.6170.7-177.20000110.9A2 K6 L7 L40A2-V4 PolarHBondContact O-N 3.38Å; V4-K6 PolarHBondContact O-N 3.17Å; V4-L7 PolarHBondContact O-N 3.2Å; V4-L40 HydrophobicContact CG2-CD1 4.16Å
5D53.3Low78.2Confident159 Ų15985.7 Ų85.785%0.8545%0.453SS*.G310 helixtrans-71.6-4.5179.8-66.3-34.4000114.6D3D3-D5 PolarHBondContact O-N 3.14Å
6K71.4Confident79.5Confident153 Ų15380.4 Ų80.467%0.66543%0.425SS*.G310 helixtrans-109.721.2176.3-68.6-172.9-165.5150.40114D3 V4 N8D3-K6 PolarHBondContact O-N 3.33Å; D3-K6 WeakPolarHBondContact OD1-CD 3.28Å; D3-K6 VanDerWaalsContact OD1-CE 3.31Å; D3-K6 WeakPolarHBondContact OD1-CE 3.14Å; D3-K6 WeakPolarHBondContact OD1-CG 3.49Å; D3-K6 IonicContact OD1-NZ 3.15Å; D3-K6 PolarHBondContact OD1-NZ 3.16Å; D3-K6 WeakPolarHBondContact OD2-CD 3.3Å; D3-K6 WeakPolarHBondContact OD2-CE 3.41Å; D3-K6 IonicContact OD2-NZ 2.67Å; D3-K6 PolarHBondContact OD2-NZ 2.79Å; V4-K6 PolarHBondContact O-N 3.17Å; K6-N8 PolarHBondContact O-N 3.15Å
7L90Very high80.6Confident39 Ų3977.7 Ų77.720%0.20441%0.411CS..  trans-67.8102.7177.5-168.165.2000110.2V4 I9 I12 G37 L38 K41 I112V4-L7 PolarHBondContact O-N 3.2Å; L7-I9 VanDerWaalsContact C-N 3.3Å; L7-I9 HydrophobicContact CD2-CD1 3.47Å; L7-I9 VanDerWaalsContact CD2-CD1 3.47Å; L7-I9 HydrophobicContact CD2-CG1 4.23Å; L7-I9 HydrophobicContact CG-CD1 3.74Å; L7-I9 HydrophobicContact CG-CG1 4.19Å; L7-I9 PolarHBondContact O-N 3.35Å; L7-I12 HydrophobicContact CD1-CD1 3.56Å; L7-I12 HydrophobicContact CG-CD1 4.13Å; L7-G37 VanDerWaalsContact CD2-C 3.48Å; L7-L38 HydrophobicContact CD2-CD2 4.28Å; L7-K41 HydrophobicContact CD2-CB 4.46Å; L7-I112 HydrophobicContact CD2-CD1 4.42Å
8N95.3Very high81.4Confident99 Ų9980.1 Ų80.153%0.52942%0.42SS..  trans-77.982176.1-171.1-23.3000110K6 D10 S11 I12K6-N8 PolarHBondContact O-N 3.15Å; N8-D10 VanDerWaalsContact C-N 3.28Å; N8-D10 PolarHBondContact O-N 2.8Å; N8-D10 PolarHBondContact OD1-N 3.44Å; N8-S11 VanDerWaalsContact CG-CB 3.45Å; N8-S11 PolarHBondContact O-N 2.86Å; N8-S11 WeakPolarHBondContact OD1-CB 3.47Å; N8-S11 PolarHBondContact OD1-N 2.89Å; N8-I12 WeakPolarHBondContact O-CG1 3.26Å; N8-I12 PolarHBondContact O-N 3.46Å; N8-I12 VanDerWaalsContact O-N 3.17Å
9I97.7Very high82.2Confident19 Ų1976.2 Ų76.210%0.09740%0.399CS..Hα-helixtrans-58.1-40-178.2-69-66.1000111.9L7 S11 I12 I13 L38 I112 K113L7-I9 VanDerWaalsContact C-N 3.3Å; L7-I9 HydrophobicContact CD2-CD1 3.47Å; L7-I9 VanDerWaalsContact CD2-CD1 3.47Å; L7-I9 HydrophobicContact CD2-CG1 4.23Å; L7-I9 HydrophobicContact CG-CD1 3.74Å; L7-I9 HydrophobicContact CG-CG1 4.19Å; L7-I9 PolarHBondContact O-N 3.35Å; I9-S11 PolarHBondContact O-N 3.39Å; I9-I12 PolarHBondContact O-N 3.12Å; I9-I12 VanDerWaalsContact O-N 3.15Å; I9-I13 HydrophobicContact CG2-CD1 3.64Å; I9-I13 HydrophobicContact CG2-CG1 4.22Å; I9-I13 WeakPolarHBondContact O-CG1 3.43Å; I9-I13 PolarHBondContact O-N 2.91Å; I9-L38 HydrophobicContact CD1-CD2 3.59Å; I9-I112 HydrophobicContact CD1-CB 4.09Å; I9-I112 HydrophobicContact CD1-CD1 3.83Å; I9-I112 HydrophobicContact CD1-CG2 3.8Å; I9-I112 HydrophobicContact CG1-CB 4.47Å; I9-I112 HydrophobicContact CG1-CG2 3.78Å; I9-K113 HydrophobicContact CG2-CB 3.98Å; I9-K113 HydrophobicContact CG2-CD 4.2Å
10D97.7Very high82.7Confident87 Ų8777.8 Ų77.847%0.46540%0.4SS..Hα-helixtrans-64.6-41.7-178.5-66.5-22.8000111.6N8 I12 I13 Q14 K113N8-D10 VanDerWaalsContact C-N 3.28Å; N8-D10 PolarHBondContact O-N 2.8Å; N8-D10 PolarHBondContact OD1-N 3.44Å; D10-I12 VanDerWaalsContact C-N 3.33Å; D10-I12 PolarHBondContact O-N 2.8Å; D10-I13 PolarHBondContact O-N 2.89Å; D10-Q14 VanDerWaalsContact O-CB 3.29Å; D10-Q14 WeakPolarHBondContact O-CB 3.47Å; D10-Q14 PolarHBondContact O-N 3.21Å; D10-K113 VanDerWaalsContact CG-NZ 3.29Å; D10-K113 WeakPolarHBondContact OD1-CD 3.48Å; D10-K113 WeakPolarHBondContact OD1-CE 3.33Å; D10-K113 IonicContact OD1-NZ 3.09Å; D10-K113 PolarHBondContact OD1-NZ 3.36Å; D10-K113 IonicContact OD2-NZ 2.84Å; D10-K113 PolarHBondContact OD2-NZ 2.94Å; D10-K113 VanDerWaalsContact OD2-NZ 3.09Å
11S97.9Very high83Confident40 Ų4078 Ų7828%0.2842%0.421SS..Hα-helixtrans-63.4-36.4173.5174.10000113N8 I9 R15N8-S11 VanDerWaalsContact CG-CB 3.45Å; N8-S11 PolarHBondContact O-N 2.86Å; N8-S11 WeakPolarHBondContact OD1-CB 3.47Å; N8-S11 PolarHBondContact OD1-N 2.89Å; I9-S11 PolarHBondContact O-N 3.39Å; S11-R15 WeakPolarHBondContact O-CG 3.32Å; S11-R15 PolarHBondContact O-N 3.03Å; S11-R15 PolarHBondContact O-NE 2.92Å; S11-R15 PolarHBondContact OG-NH2 3.39Å
12I98.5Very high85.4Confident1 Ų167.5 Ų67.51%0.00537%0.374CS..Hα-helixtrans-68.5-49.3177.2-69.5168.9000110.2L7 N8 I9 D10 Q14 R15 L16 L30 E34 L38 A109L7-I12 HydrophobicContact CD1-CD1 3.56Å; L7-I12 HydrophobicContact CG-CD1 4.13Å; N8-I12 WeakPolarHBondContact O-CG1 3.26Å; N8-I12 PolarHBondContact O-N 3.46Å; N8-I12 VanDerWaalsContact O-N 3.17Å; I9-I12 PolarHBondContact O-N 3.12Å; I9-I12 VanDerWaalsContact O-N 3.15Å; D10-I12 VanDerWaalsContact C-N 3.33Å; D10-I12 PolarHBondContact O-N 2.8Å; I12-Q14 VanDerWaalsContact C-N 3.33Å; I12-Q14 PolarHBondContact O-N 2.83Å; I12-R15 PolarHBondContact O-N 3.44Å; I12-L16 HydrophobicContact CG2-CD1 3.74Å; I12-L16 WeakPolarHBondContact O-CB 3.3Å; I12-L16 WeakPolarHBondContact O-CG 3.36Å; I12-L16 PolarHBondContact O-N 3.17Å; I12-L30 HydrophobicContact CG2-CD1 4.04Å; I12-L30 HydrophobicContact CG2-CD2 4.14Å; I12-E34 HydrophobicContact CD1-CB 3.95Å; I12-E34 HydrophobicContact CD1-CG 4.34Å; I12-E34 HydrophobicContact CG1-CB 4.48Å; I12-L38 HydrophobicContact CD1-CD2 4.27Å; I12-L38 HydrophobicContact CD1-CG 4.45Å; I12-L38 HydrophobicContact CG2-CD1 4.14Å; I12-L38 HydrophobicContact CG2-CD2 4.39Å; I12-A109 HydrophobicContact CG2-CB 4.42Å
13I98.6Very high88Confident17 Ų1771.7 Ų71.79%0.08738%0.375CS..Hα-helixtrans-59.2-46.8177.7-67.7172.2000109.8I9 D10 R15 L16 L17 A109 Y110 K113I9-I13 HydrophobicContact CG2-CD1 3.64Å; I9-I13 HydrophobicContact CG2-CG1 4.22Å; I9-I13 WeakPolarHBondContact O-CG1 3.43Å; I9-I13 PolarHBondContact O-N 2.91Å; D10-I13 PolarHBondContact O-N 2.89Å; I13-R15 PolarHBondContact O-N 3.32Å; I13-L16 PolarHBondContact O-N 3.45Å; I13-L16 VanDerWaalsContact O-N 3.15Å; I13-L17 HydrophobicContact CG2-CD1 3.73Å; I13-L17 HydrophobicContact CG2-CG 4.18Å; I13-L17 WeakPolarHBondContact O-CG 3.44Å; I13-L17 PolarHBondContact O-N 2.84Å; I13-A109 HydrophobicContact CD1-CB 4.23Å; I13-A109 HydrophobicContact CG1-CB 3.67Å; I13-Y110 HydrophobicContact CD1-CD1 4.09Å; I13-Y110 HydrophobicContact CD1-CE1 4.21Å; I13-Y110 HydrophobicContact CG2-CE1 4.05Å; I13-K113 HydrophobicContact CD1-CB 3.96Å; I13-K113 HydrophobicContact CD1-CG 4.16Å
14Q98.1Very high90.2Very high124 Ų12471.5 Ų71.558%0.57938%0.379SS*.Hα-helixtrans-54.8-51.6178.7-176.1-179-1200111.6D10 I12 L16 L17 E18D10-Q14 VanDerWaalsContact O-CB 3.29Å; D10-Q14 WeakPolarHBondContact O-CB 3.47Å; D10-Q14 PolarHBondContact O-N 3.21Å; I12-Q14 VanDerWaalsContact C-N 3.33Å; I12-Q14 PolarHBondContact O-N 2.83Å; Q14-L16 VanDerWaalsContact C-N 3.31Å; Q14-L16 PolarHBondContact O-N 3.1Å; Q14-L17 PolarHBondContact O-N 3.37Å; Q14-L17 VanDerWaalsContact O-N 3.14Å; Q14-E18 PolarHBondContact NE2-OE1 3.38Å; Q14-E18 VanDerWaalsContact O-CG 3.3Å; Q14-E18 WeakPolarHBondContact O-CG 3.4Å; Q14-E18 PolarHBondContact O-N 3.15Å
15R98.3Very high92.2Very high54 Ų5471 Ų7120%0.20439%0.386CS..Hα-helixtrans-62.2-36.7178.2-77.5177.8-73.6160.8-9.1113.2S11 I12 I13 L17 V28 E34S11-R15 WeakPolarHBondContact O-CG 3.32Å; S11-R15 PolarHBondContact O-N 3.03Å; S11-R15 PolarHBondContact O-NE 2.92Å; S11-R15 PolarHBondContact OG-NH2 3.39Å; I12-R15 PolarHBondContact O-N 3.44Å; I13-R15 PolarHBondContact O-N 3.32Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-V28 HydrophobicContact CB-CG1 4.22Å; R15-V28 WeakPolarHBondContact O-CG1 3.16Å; R15-E34 IonicContact CZ-OE1 3.69Å; R15-E34 IonicContact CZ-OE2 2.68Å; R15-E34 IonicContact NH1-OE1 3.36Å; R15-E34 PolarHBondContact NH1-OE1 3Å; R15-E34 VanDerWaalsContact NH1-OE1 3.15Å; R15-E34 IonicContact NH1-OE2 3.37Å; R15-E34 PolarHBondContact NH1-OE2 3.38Å; R15-E34 IonicContact NH2-OE1 3.63Å; R15-E34 PolarHBondContact NH2-OE1 3.34Å; R15-E34 IonicContact NH2-OE2 3.35Å
16L98.4Very high94.3Very high1 Ų169.3 Ų69.31%0.00537%0.37CS..Hα-helixtrans-64.5-39.4175.7-76.2165.6000111.1I12 I13 Q14 V28 L30 Y69 E102 C105 L106I12-L16 HydrophobicContact CG2-CD1 3.74Å; I12-L16 WeakPolarHBondContact O-CB 3.3Å; I12-L16 WeakPolarHBondContact O-CG 3.36Å; I12-L16 PolarHBondContact O-N 3.17Å; I13-L16 PolarHBondContact O-N 3.45Å; I13-L16 VanDerWaalsContact O-N 3.15Å; Q14-L16 VanDerWaalsContact C-N 3.31Å; Q14-L16 PolarHBondContact O-N 3.1Å; L16-V28 HydrophobicContact CD2-CB 4.1Å; L16-V28 HydrophobicContact CD2-CG1 4.02Å; L16-V28 HydrophobicContact CD2-CG2 4.33Å; L16-V28 HydrophobicContact CG-CG1 4.37Å; L16-L30 HydrophobicContact CD1-CD1 4.26Å; L16-L30 HydrophobicContact CD2-CD1 4.18Å; L16-L30 HydrophobicContact CG-CD1 4.33Å; L16-Y69 WeakPolarHBondContact CB-OH 3.25Å; L16-Y69 PolarHBondContact O-OH 3.2Å; L16-E102 HydrophobicContact CD2-CB 4.38Å; L16-E102 HydrophobicContact CD2-CG 4.4Å; L16-C105 HydrophobicContact CD1-CB 4.19Å; L16-C105 HydrophobicContact CD2-CB 4.38Å; L16-L106 HydrophobicContact CB-CD1 4.04Å; L16-L106 HydrophobicContact CD1-CB 4.08Å; L16-L106 HydrophobicContact CD1-CD1 4.16Å
17L98.2Very high95.5Very high35 Ų3565.6 Ų65.618%0.18336%0.358CS..Hα-helixtrans-83.2-19-178.8-61.7-179.2000114.4I13 Q14 R15 V19 R20 L73 F81 L106 Y110I13-L17 HydrophobicContact CG2-CD1 3.73Å; I13-L17 HydrophobicContact CG2-CG 4.18Å; I13-L17 WeakPolarHBondContact O-CG 3.44Å; I13-L17 PolarHBondContact O-N 2.84Å; Q14-L17 PolarHBondContact O-N 3.37Å; Q14-L17 VanDerWaalsContact O-N 3.14Å; R15-L17 VanDerWaalsContact C-N 3.33Å; L17-V19 PolarHBondContact O-N 2.95Å; L17-R20 WeakPolarHBondContact O-CB 3.33Å; L17-R20 WeakPolarHBondContact O-CD 3.31Å; L17-R20 WeakPolarHBondContact O-CG 3.41Å; L17-R20 PolarHBondContact O-N 3.14Å; L17-R20 VanDerWaalsContact O-N 3.13Å; L17-L73 HydrophobicContact CD2-CD2 3.64Å; L17-F81 HydrophobicContact CD1-CD1 4.5Å; L17-F81 HydrophobicContact CD2-CD1 4.31Å; L17-F81 HydrophobicContact CD2-CE1 3.72Å; L17-L106 HydrophobicContact CD2-CD1 4.11Å; L17-L106 HydrophobicContact CD2-CD2 4.03Å; L17-Y110 WeakPolarHBondContact CD1-OH 3.45Å
18E95.8Very high95.8Very high121 Ų12164.2 Ų64.257%0.56535%0.351SS*.THydrogen-bonded Turntrans-59.1-20.5-179.9-85.5168.7-168.800114Q14Q14-E18 PolarHBondContact NE2-OE1 3.38Å; Q14-E18 VanDerWaalsContact O-CG 3.3Å; Q14-E18 WeakPolarHBondContact O-CG 3.4Å; Q14-E18 PolarHBondContact O-N 3.15Å
19V95.6Very high95.7Very high6 Ų666.1 Ų66.14%0.03636%0.357CS..THydrogen-bonded Turntrans-85.9-1.6-179.7-57.20000114.4L17 G21 A22 K26 V28 Y69 Y70 L73L17-V19 PolarHBondContact O-N 2.95Å; V19-G21 VanDerWaalsContact C-N 3.27Å; V19-G21 PolarHBondContact O-N 3.23Å; V19-A22 HydrophobicContact CB-CB 4.28Å; V19-A22 VanDerWaalsContact O-CB 3.28Å; V19-A22 WeakPolarHBondContact O-CB 3.18Å; V19-A22 PolarHBondContact O-N 3.04Å; V19-K26 HydrophobicContact CG1-CD 4.04Å; V19-K26 HydrophobicContact CG1-CG 4.3Å; V19-V28 HydrophobicContact CB-CG2 4.44Å; V19-V28 HydrophobicContact CG1-CG2 3.66Å; V19-V28 HydrophobicContact CG2-CG2 3.89Å; V19-Y69 HydrophobicContact CG2-CD1 4.46Å; V19-Y69 HydrophobicContact CG2-CE1 3.69Å; V19-Y70 WeakPolarHBondContact O-CE1 3.48Å; V19-L73 HydrophobicContact CG2-CD1 4.25Å
20R92.2Very high95.7Very high108 Ų10865.4 Ų65.441%0.40835%0.353SS..THydrogen-bonded Turntrans-52.2-41.6179.1-75.2170.261.4-164.9-3.9113.7L17 L73 E77L17-R20 WeakPolarHBondContact O-CB 3.33Å; L17-R20 WeakPolarHBondContact O-CD 3.31Å; L17-R20 WeakPolarHBondContact O-CG 3.41Å; L17-R20 PolarHBondContact O-N 3.14Å; L17-R20 VanDerWaalsContact O-N 3.13Å; R20-L73 HydrophobicContact CG-CB 4.29Å; R20-L73 HydrophobicContact CG-CD1 3.86Å; R20-L73 HydrophobicContact CG-CD2 4.1Å; R20-L73 HydrophobicContact CG-CG 4.31Å; R20-E77 IonicContact CZ-OE1 3.24Å; R20-E77 VanDerWaalsContact CZ-OE1 3.24Å; R20-E77 IonicContact NE-OE1 3.93Å; R20-E77 PolarHBondContact NE-OE1 2.88Å; R20-E77 IonicContact NH2-OE1 2.8Å; R20-E77 PolarHBondContact NH2-OE1 3.45Å
21G88.4Confident95.8Very high83 Ų8366.7 Ų66.786%0.85636%0.356SS*.THydrogen-bonded Turntrans-86.4-1.6177.200000114.8V19V19-G21 VanDerWaalsContact C-N 3.27Å; V19-G21 PolarHBondContact O-N 3.23Å
22A93Very high95.8Very high28 Ų2868.4 Ų68.423%0.23136%0.36CS..SBendtrans-85.2167.8-17900000111.6V19 K26V19-A22 HydrophobicContact CB-CB 4.28Å; V19-A22 VanDerWaalsContact O-CB 3.28Å; V19-A22 WeakPolarHBondContact O-CB 3.18Å; V19-A22 PolarHBondContact O-N 3.04Å; A22-K26 HydrophobicContact CB-CB 4.22Å; A22-K26 HydrophobicContact CB-CD 3.6Å
23K92.1Very high95.7Very high179 Ų17973.3 Ų73.378%0.77839%0.386SS*.PPolyproline II helixtrans-60.4130.3172.3-175.5-177.7177-176.80109.8G25 K26 Y70K23-G25 PolarHBondContact O-N 3.47Å; K23-K26 PolarHBondContact O-N 3.05Å; K23-Y70 PolarHBondContact O-OH 3.38Å
24P93.6Very high95.7Very high96 Ų9673.8 Ų73.862%0.62339%0.388SS*.THydrogen-bonded Turntrans-49.4134.9174.8-30.236.2000112.8Y70P24-Y70 HydrophobicContact CB-CD1 4.01Å; P24-Y70 HydrophobicContact CB-CD2 4.29Å; P24-Y70 HydrophobicContact CB-CE1 4.37Å; P24-Y70 HydrophobicContact CB-CG 3.96Å; P24-Y70 HydrophobicContact CG-CD1 4.04Å; P24-Y70 HydrophobicContact CG-CE1 4.42Å; P24-Y70 HydrophobicContact CG-CG 4.41Å
25G92.9Very high95.7Very high43 Ų4368 Ų6844%0.44336%0.361SS..THydrogen-bonded Turntrans95.3-2.3-173.600000115.4K23 N27 Q99K23-G25 PolarHBondContact O-N 3.47Å; G25-N27 PolarHBondContact O-N 3.13Å; G25-Q99 VanDerWaalsContact CA-OE1 3.3Å
26K96.3Very high95.7Very high122 Ų12271 Ų7153%0.5337%0.372SS..  trans-68123.6170.9-176-175.9176.3-173.40109.3V19 A22 K23 Y70 Q99V19-K26 HydrophobicContact CG1-CD 4.04Å; V19-K26 HydrophobicContact CG1-CG 4.3Å; A22-K26 HydrophobicContact CB-CB 4.22Å; A22-K26 HydrophobicContact CB-CD 3.6Å; K23-K26 PolarHBondContact O-N 3.05Å; K26-Y70 VanDerWaalsContact CB-OH 3.31Å; K26-Y70 WeakPolarHBondContact CB-OH 3.4Å; K26-Y70 PolarHBondContact N-OH 2.92Å; K26-Y70 PolarHBondContact O-OH 2.89Å; K26-Q99 PolarHBondContact O-NE2 2.59Å
27N96.9Very high95.7Very high75 Ų7571.2 Ų71.240%0.40138%0.375SS..  trans-74.2154.7176.7-65.8-18.1000111.9G25 Q99 E102G25-N27 PolarHBondContact O-N 3.13Å; N27-Q99 PolarHBondContact OD1-NE2 3.14Å; N27-E102 VanDerWaalsContact CA-OE1 3.23Å; N27-E102 WeakPolarHBondContact CA-OE1 3.44Å; N27-E102 WeakPolarHBondContact CB-OE1 3.5Å
28V97.1Very high95.7Very high10 Ų1069.6 Ų69.66%0.06137%0.366CS..  trans-106.8126.5168.9-178.20000108.1R15 L16 V19 L30 Y69 E102 R143R15-V28 HydrophobicContact CB-CG1 4.22Å; R15-V28 WeakPolarHBondContact O-CG1 3.16Å; L16-V28 HydrophobicContact CD2-CB 4.1Å; L16-V28 HydrophobicContact CD2-CG1 4.02Å; L16-V28 HydrophobicContact CD2-CG2 4.33Å; L16-V28 HydrophobicContact CG-CG1 4.37Å; V19-V28 HydrophobicContact CB-CG2 4.44Å; V19-V28 HydrophobicContact CG1-CG2 3.66Å; V19-V28 HydrophobicContact CG2-CG2 3.89Å; V28-L30 HydrophobicContact CG1-CD2 4.25Å; V28-L30 HydrophobicContact CG1-CG 4.39Å; V28-L30 PolarHBondContact O-N 2.94Å; V28-Y69 HydrophobicContact CG2-CE1 4.5Å; V28-E102 HydrophobicContact CB-CG 3.95Å; V28-E102 HydrophobicContact CG2-CG 4.07Å; V28-E102 PolarHBondContact N-OE1 3.3Å; V28-R143 PolarHBondContact O-NH2 3.46Å
29Q93.3Very high95.9Very high139 Ų13963.9 Ų63.965%0.6534%0.339SS*.  trans-92.994.3-178.9-165.768.428.800110.1
30L97.8Very high96Very high4 Ų466.2 Ų66.22%0.02135%0.351CS..  trans-88.5149.6166.3-59.9-178.7000109.9I12 L16 V28 I35 L38 C105 Y144I12-L30 HydrophobicContact CG2-CD1 4.04Å; I12-L30 HydrophobicContact CG2-CD2 4.14Å; L16-L30 HydrophobicContact CD1-CD1 4.26Å; L16-L30 HydrophobicContact CD2-CD1 4.18Å; L16-L30 HydrophobicContact CG-CD1 4.33Å; V28-L30 HydrophobicContact CG1-CD2 4.25Å; V28-L30 HydrophobicContact CG1-CG 4.39Å; V28-L30 PolarHBondContact O-N 2.94Å; L30-I35 HydrophobicContact CB-CD1 4.09Å; L30-I35 HydrophobicContact CB-CG1 3.81Å; L30-I35 HydrophobicContact CD1-CG1 4.19Å; L30-L38 HydrophobicContact CD1-CD1 4.43Å; L30-C105 HydrophobicContact CD1-CB 3.88Å; L30-Y144 WeakPolarHBondContact O-CE1 3.36Å; L30-Y144 PolarHBondContact O-OH 2.85Å
31Q97.9Very high96.3Very high115 Ų11564.7 Ų64.754%0.53735%0.348SS..  trans-74.7150.1172.8-55179.328.700110.1N33 E34 I35Q31-N33 VanDerWaalsContact C-N 3.27Å; Q31-N33 WeakPolarHBondContact CB-OD1 3.48Å; Q31-N33 PolarHBondContact O-N 2.84Å; Q31-N33 PolarHBondContact OE1-OD1 3.3Å; Q31-E34 HydrophobicContact CB-CG 4.02Å; Q31-E34 PolarHBondContact N-OE2 3.16Å; Q31-E34 WeakPolarHBondContact O-CB 3.48Å; Q31-E34 PolarHBondContact O-N 3.24Å; Q31-I35 PolarHBondContact O-N 3.2Å; Q31-I35 VanDerWaalsContact O-N 3.14Å
32E98.1Very high96.8Very high76 Ų7660.8 Ų60.836%0.35531%0.307SS..Hα-helixtrans-58.2-38.9-178.3-177.9-178.6156.200112.8E34 I35 R36 Y144 N145 L148E32-E34 VanDerWaalsContact C-N 3.33Å; E32-I35 PolarHBondContact O-N 3.42Å; E32-R36 WeakPolarHBondContact O-CB 3.21Å; E32-R36 PolarHBondContact O-N 2.79Å; E32-Y144 HydrophobicContact CB-CD1 4.09Å; E32-N145 PolarHBondContact OE1-ND2 2.92Å; E32-N145 PolarHBondContact OE2-ND2 2.93Å; E32-L148 HydrophobicContact CG-CD1 4.24Å
33N97.2Very high97.1Very high103 Ų10362.9 Ų62.955%0.55131%0.309SS*.Hα-helixtrans-65.8-33.417660.2-39.5000112.7Q31 G37Q31-N33 VanDerWaalsContact C-N 3.27Å; Q31-N33 WeakPolarHBondContact CB-OD1 3.48Å; Q31-N33 PolarHBondContact O-N 2.84Å; Q31-N33 PolarHBondContact OE1-OD1 3.3Å; N33-G37 PolarHBondContact O-N 3.09Å
34E98.3Very high97.4Very high28 Ų2858.8 Ų58.813%0.13129%0.293CS..Hα-helixtrans-65.7-48.5174.5-65.1176.4136.100110.2I12 R15 Q31 E32 R36 G37 L38I12-E34 HydrophobicContact CD1-CB 3.95Å; I12-E34 HydrophobicContact CD1-CG 4.34Å; I12-E34 HydrophobicContact CG1-CB 4.48Å; R15-E34 IonicContact CZ-OE1 3.69Å; R15-E34 IonicContact CZ-OE2 2.68Å; R15-E34 IonicContact NH1-OE1 3.36Å; R15-E34 PolarHBondContact NH1-OE1 3Å; R15-E34 VanDerWaalsContact NH1-OE1 3.15Å; R15-E34 IonicContact NH1-OE2 3.37Å; R15-E34 PolarHBondContact NH1-OE2 3.38Å; R15-E34 IonicContact NH2-OE1 3.63Å; R15-E34 PolarHBondContact NH2-OE1 3.34Å; R15-E34 IonicContact NH2-OE2 3.35Å; Q31-E34 HydrophobicContact CB-CG 4.02Å; Q31-E34 PolarHBondContact N-OE2 3.16Å; Q31-E34 WeakPolarHBondContact O-CB 3.48Å; Q31-E34 PolarHBondContact O-N 3.24Å; E32-E34 VanDerWaalsContact C-N 3.33Å; E34-R36 PolarHBondContact O-N 3.24Å; E34-G37 WeakPolarHBondContact O-CA 3.46Å; E34-G37 PolarHBondContact O-N 2.68Å; E34-G37 VanDerWaalsContact O-N 3.09Å; E34-L38 WeakPolarHBondContact O-CG 3.03Å; E34-L38 PolarHBondContact O-N 3.08Å
35I98.7Very high97.7Very high2 Ų255.1 Ų55.11%0.0127%0.268CS..Hα-helixtrans-62.5-44.6178.2-58.6175.7000110.7L30 Q31 E32 G37 L38 C39 Y144 L148 F152L30-I35 HydrophobicContact CB-CD1 4.09Å; L30-I35 HydrophobicContact CB-CG1 3.81Å; L30-I35 HydrophobicContact CD1-CG1 4.19Å; Q31-I35 PolarHBondContact O-N 3.2Å; Q31-I35 VanDerWaalsContact O-N 3.14Å; E32-I35 PolarHBondContact O-N 3.42Å; I35-G37 VanDerWaalsContact C-N 3.26Å; I35-G37 PolarHBondContact O-N 3.21Å; I35-L38 WeakPolarHBondContact O-CB 3.23Å; I35-L38 PolarHBondContact O-N 2.65Å; I35-L38 VanDerWaalsContact O-N 3.17Å; I35-C39 PolarHBondContact O-N 2.89Å; I35-C39 PolarHBondContact O-SG 3.18Å; I35-Y144 HydrophobicContact CD1-CD1 4.46Å; I35-Y144 HydrophobicContact CD1-CD2 4.31Å; I35-Y144 HydrophobicContact CD1-CE1 3.8Å; I35-Y144 HydrophobicContact CD1-CE2 3.65Å; I35-Y144 WeakPolarHBondContact CD1-OH 3.45Å; I35-L148 HydrophobicContact CB-CD1 4.14Å; I35-L148 HydrophobicContact CB-CD2 4.39Å; I35-L148 HydrophobicContact CD1-CD2 4.08Å; I35-L148 HydrophobicContact CG2-CD1 3.86Å; I35-L148 HydrophobicContact CG2-CD2 4.11Å; I35-L148 HydrophobicContact CG2-CG 4.31Å; I35-F152 HydrophobicContact CG2-CE1 4.18Å; I35-F152 HydrophobicContact CG2-CE2 3.63Å; I35-F152 HydrophobicContact CG2-CZ 3.26Å
36R98.5Very high98Very high118 Ų11853.1 Ų53.145%0.44525%0.247SC..Hα-helixtrans-59-40.2174177.4173.4172.8-161.1-5111.6E32 E34 C39 L40 T151E32-R36 WeakPolarHBondContact O-CB 3.21Å; E32-R36 PolarHBondContact O-N 2.79Å; E34-R36 PolarHBondContact O-N 3.24Å; R36-C39 PolarHBondContact O-N 3.45Å; R36-L40 HydrophobicContact CG-CD1 3.94Å; R36-L40 HydrophobicContact CG-CG 4.31Å; R36-L40 WeakPolarHBondContact O-CB 3.31Å; R36-L40 VanDerWaalsContact O-CG 3.27Å; R36-L40 WeakPolarHBondContact O-CG 3.5Å; R36-L40 PolarHBondContact O-N 3.37Å; R36-T151 HydrophobicContact CG-CG2 4.12Å
37G98.3Very high98.1Very high5 Ų550.4 Ų50.45%0.05224%0.238CC..Hα-helixtrans-60.3-45.1174.200000112.3L7 N33 E34 I35 C39 L40 K41L7-G37 VanDerWaalsContact CD2-C 3.48Å; N33-G37 PolarHBondContact O-N 3.09Å; E34-G37 WeakPolarHBondContact O-CA 3.46Å; E34-G37 PolarHBondContact O-N 2.68Å; E34-G37 VanDerWaalsContact O-N 3.09Å; I35-G37 VanDerWaalsContact C-N 3.26Å; I35-G37 PolarHBondContact O-N 3.21Å; G37-C39 PolarHBondContact O-N 3.5Å; G37-L40 PolarHBondContact O-N 2.84Å; G37-K41 WeakPolarHBondContact O-CB 3.29Å; G37-K41 PolarHBondContact O-N 2.9Å
38L98.8Very high98.2Very high0 Ų051.3 Ų51.30%025%0.25CS..Hα-helixtrans-56.8-50.1174.1-65.7174000111L7 I9 I12 L30 E34 I35 L40 K41 S42 C105 L108 A109 I112L7-L38 HydrophobicContact CD2-CD2 4.28Å; I9-L38 HydrophobicContact CD1-CD2 3.59Å; I12-L38 HydrophobicContact CD1-CD2 4.27Å; I12-L38 HydrophobicContact CD1-CG 4.45Å; I12-L38 HydrophobicContact CG2-CD1 4.14Å; I12-L38 HydrophobicContact CG2-CD2 4.39Å; L30-L38 HydrophobicContact CD1-CD1 4.43Å; E34-L38 WeakPolarHBondContact O-CG 3.03Å; E34-L38 PolarHBondContact O-N 3.08Å; I35-L38 WeakPolarHBondContact O-CB 3.23Å; I35-L38 PolarHBondContact O-N 2.65Å; I35-L38 VanDerWaalsContact O-N 3.17Å; L38-L40 PolarHBondContact O-N 3.18Å; L38-K41 PolarHBondContact O-N 3.15Å; L38-S42 VanDerWaalsContact O-CB 3.28Å; L38-S42 WeakPolarHBondContact O-CB 3.23Å; L38-S42 PolarHBondContact O-N 3.45Å; L38-S42 PolarHBondContact O-OG 3.45Å; L38-C105 HydrophobicContact CD1-CB 3.84Å; L38-L108 HydrophobicContact CB-CB 4.33Å; L38-A109 HydrophobicContact CD2-CB 3.84Å; L38-I112 HydrophobicContact CB-CD1 4.41Å; L38-I112 HydrophobicContact CD2-CD1 3.8Å
39C98.9Very high98.3Very high1 Ų151.7 Ų51.71%0.00725%0.251CS..Hα-helixtrans-61-47179.4-65.50000112.4I35 R36 G37 S42 R43 T151 F152 C155I35-C39 PolarHBondContact O-N 2.89Å; I35-C39 PolarHBondContact O-SG 3.18Å; R36-C39 PolarHBondContact O-N 3.45Å; G37-C39 PolarHBondContact O-N 3.5Å; C39-S42 PolarHBondContact O-OG 3.01Å; C39-R43 WeakPolarHBondContact O-CB 3.29Å; C39-R43 PolarHBondContact O-N 3.3Å; C39-T151 HydrophobicContact CB-CG2 3.74Å; C39-F152 WeakPolarHBondContact SG-CD1 3.23Å; C39-F152 WeakPolarHBondContact SG-CE1 3.47Å; C39-C155 HydrophobicContact CB-CB 4.08Å
40L98.6Very high98.5Very high55 Ų5548.9 Ų48.929%0.28825%0.245SC..Hα-helixtrans-65.1-44.9-178.6-68.8175.2000111.5V4 R36 G37 L38 R43 E44V4-L40 HydrophobicContact CG2-CD1 4.16Å; R36-L40 HydrophobicContact CG-CD1 3.94Å; R36-L40 HydrophobicContact CG-CG 4.31Å; R36-L40 WeakPolarHBondContact O-CB 3.31Å; R36-L40 VanDerWaalsContact O-CG 3.27Å; R36-L40 WeakPolarHBondContact O-CG 3.5Å; R36-L40 PolarHBondContact O-N 3.37Å; G37-L40 PolarHBondContact O-N 2.84Å; L38-L40 PolarHBondContact O-N 3.18Å; L40-R43 PolarHBondContact O-N 2.94Å; L40-E44 WeakPolarHBondContact O-CG 3.36Å; L40-E44 PolarHBondContact O-N 3.17Å; L40-E44 VanDerWaalsContact O-N 3.13Å
41K98.7Very high98.6Very high77 Ų7749 Ų4934%0.33525%0.246SC..Hα-helixtrans-73-41.5-176.2-169.365.7-171.9168.60112.9L7 G37 L38 R43 E44 I45 I112L7-K41 HydrophobicContact CD2-CB 4.46Å; G37-K41 WeakPolarHBondContact O-CB 3.29Å; G37-K41 PolarHBondContact O-N 2.9Å; L38-K41 PolarHBondContact O-N 3.15Å; K41-R43 VanDerWaalsContact C-N 3.34Å; K41-E44 WeakPolarHBondContact CD-OE2 3.48Å; K41-E44 IonicContact NZ-OE2 3.18Å; K41-E44 PolarHBondContact NZ-OE2 3.33Å; K41-E44 WeakPolarHBondContact O-CB 3.39Å; K41-E44 PolarHBondContact O-N 2.93Å; K41-I45 WeakPolarHBondContact O-CG1 3.37Å; K41-I45 PolarHBondContact O-N 3.15Å; K41-I112 HydrophobicContact CB-CD1 3.85Å; K41-I112 HydrophobicContact CB-CG1 4.16Å; K41-I112 HydrophobicContact CG-CD1 4.2Å; K41-I112 HydrophobicContact CG-CG1 4.05Å; K41-I112 HydrophobicContact CG-CG2 3.88Å
42S98.8Very high98.6Very high0 Ų043.7 Ų43.70%022%0.221CC..Hα-helixtrans-64.7-39.1173.956.50000111.8L38 C39 E44 I45 F46 C155L38-S42 VanDerWaalsContact O-CB 3.28Å; L38-S42 WeakPolarHBondContact O-CB 3.23Å; L38-S42 PolarHBondContact O-N 3.45Å; L38-S42 PolarHBondContact O-OG 3.45Å; C39-S42 PolarHBondContact O-OG 3.01Å; S42-E44 VanDerWaalsContact C-N 3.34Å; S42-E44 PolarHBondContact O-N 3.27Å; S42-I45 WeakPolarHBondContact O-CB 3.32Å; S42-I45 PolarHBondContact O-N 2.94Å; S42-I45 VanDerWaalsContact O-N 3.11Å; S42-F46 WeakPolarHBondContact O-CD2 3.35Å; S42-F46 VanDerWaalsContact O-CG 3.29Å; S42-F46 WeakPolarHBondContact O-CG 3.37Å; S42-F46 PolarHBondContact O-N 3.15Å; S42-C155 PolarHBondContact OG-SG 3.5Å; S42-C155 VanDerWaalsContact OG-SG 3.38Å
43R98.8Very high98.7Very high73 Ų7340.3 Ų40.328%0.27521%0.205SC..Hα-helixtrans-56.4-44.1172.9-177.4-175.9176.1-77.6-3.3112.7C39 L40 K41 I45 F46 L47 D154 C158C39-R43 WeakPolarHBondContact O-CB 3.29Å; C39-R43 PolarHBondContact O-N 3.3Å; L40-R43 PolarHBondContact O-N 2.94Å; K41-R43 VanDerWaalsContact C-N 3.34Å; R43-I45 VanDerWaalsContact C-N 3.33Å; R43-I45 PolarHBondContact O-N 2.99Å; R43-F46 PolarHBondContact O-N 2.7Å; R43-L47 HydrophobicContact CG-CD1 4.31Å; R43-L47 WeakPolarHBondContact O-CG 3.49Å; R43-L47 PolarHBondContact O-N 3.01Å; R43-D154 WeakPolarHBondContact CD-O 3.48Å; R43-D154 PolarHBondContact NE-O 3.48Å; R43-C158 HydrophobicContact CG-CB 3.94Å; R43-C158 VanDerWaalsContact CG-SG 3.58Å; R43-C158 PolarHBondContact NE-SG 3Å
44E98.7Very high98.7Very high92 Ų9240 Ų4043%0.4320%0.2SC..Hα-helixtrans-57.2-47.1174-71.7168.7-165.500111.3L40 K41 S42 L47 S48L40-E44 WeakPolarHBondContact O-CG 3.36Å; L40-E44 PolarHBondContact O-N 3.17Å; L40-E44 VanDerWaalsContact O-N 3.13Å; K41-E44 WeakPolarHBondContact CD-OE2 3.48Å; K41-E44 IonicContact NZ-OE2 3.18Å; K41-E44 PolarHBondContact NZ-OE2 3.33Å; K41-E44 WeakPolarHBondContact O-CB 3.39Å; K41-E44 PolarHBondContact O-N 2.93Å; S42-E44 VanDerWaalsContact C-N 3.34Å; S42-E44 PolarHBondContact O-N 3.27Å; E44-L47 PolarHBondContact O-N 3.04Å; E44-S48 PolarHBondContact O-N 3.25Å; E44-S48 PolarHBondContact O-OG 2.79Å
45I98.8Very high98.8Very high20 Ų2039.4 Ų39.410%0.10320%0.198CC..Hα-helixtrans-64.4-43.6-180-62.8166.1000111.1K41 S42 R43 L47 S48 Q49 K111 I112 P115K41-I45 WeakPolarHBondContact O-CG1 3.37Å; K41-I45 PolarHBondContact O-N 3.15Å; S42-I45 WeakPolarHBondContact O-CB 3.32Å; S42-I45 PolarHBondContact O-N 2.94Å; S42-I45 VanDerWaalsContact O-N 3.11Å; R43-I45 VanDerWaalsContact C-N 3.33Å; R43-I45 PolarHBondContact O-N 2.99Å; I45-L47 VanDerWaalsContact C-N 3.29Å; I45-L47 PolarHBondContact O-N 3.28Å; I45-S48 WeakPolarHBondContact CA-OG 3.49Å; I45-S48 PolarHBondContact O-N 2.67Å; I45-S48 PolarHBondContact O-OG 3.45Å; I45-Q49 PolarHBondContact O-N 3.05Å; I45-K111 HydrophobicContact CG2-CD 4.46Å; I45-K111 HydrophobicContact CG2-CG 4.5Å; I45-I112 HydrophobicContact CD1-CB 4.25Å; I45-I112 HydrophobicContact CD1-CG1 4Å; I45-I112 HydrophobicContact CD1-CG2 4.46Å; I45-P115 HydrophobicContact CG2-CB 3.95Å
46F98.9Very high98.7Very high1 Ų146.7 Ų46.70%0.00423%0.232CC..Hα-helixtrans-62.1-39.9178.1-62.1-48.8000111.7S42 R43 S48 Q49 L108 K111 L120 C158 L159 R191S42-F46 WeakPolarHBondContact O-CD2 3.35Å; S42-F46 VanDerWaalsContact O-CG 3.29Å; S42-F46 WeakPolarHBondContact O-CG 3.37Å; S42-F46 PolarHBondContact O-N 3.15Å; R43-F46 PolarHBondContact O-N 2.7Å; F46-S48 VanDerWaalsContact C-N 3.35Å; F46-Q49 PolarHBondContact O-N 3.42Å; F46-L108 HydrophobicContact CE2-CD2 3.88Å; F46-L108 HydrophobicContact CZ-CD2 3.86Å; F46-K111 HydrophobicContact CD1-CG 4.43Å; F46-K111 HydrophobicContact CE1-CD 3.99Å; F46-K111 HydrophobicContact CE1-CG 3.65Å; F46-K111 HydrophobicContact CZ-CG 3.92Å; F46-L120 HydrophobicContact CE1-CB 4.29Å; F46-L120 HydrophobicContact CZ-CB 4.44Å; F46-L120 HydrophobicContact CZ-CD1 4.13Å; F46-C158 HydrophobicContact CB-CB 4.26Å; F46-C158 VanDerWaalsContact CB-O 3.23Å; F46-C158 WeakPolarHBondContact CB-O 3.34Å; F46-L159 HydrophobicContact CD1-CD2 4.18Å; F46-L159 HydrophobicContact CD2-CD2 4.1Å; F46-L159 HydrophobicContact CE1-CD2 3.69Å; F46-L159 HydrophobicContact CE2-CD2 3.63Å; F46-L159 HydrophobicContact CE2-CG 4.39Å; F46-L159 HydrophobicContact CG-CD2 4.38Å; F46-L159 HydrophobicContact CZ-CD2 3.41Å; F46-L159 VanDerWaalsContact CZ-CD2 3.41Å; F46-R191 VanDerWaalsContact O-CZ 3.26Å; F46-R191 PolarHBondContact O-NH1 3.27Å; F46-R191 PolarHBondContact O-NH2 2.92Å
47L98.8Very high98.7Very high64 Ų6441.9 Ų41.934%0.33522%0.217SC..Hα-helixtrans-71.6-27.2177-71.6175000113.1R43 E44 I45 C158 R191R43-L47 HydrophobicContact CG-CD1 4.31Å; R43-L47 WeakPolarHBondContact O-CG 3.49Å; R43-L47 PolarHBondContact O-N 3.01Å; E44-L47 PolarHBondContact O-N 3.04Å; I45-L47 VanDerWaalsContact C-N 3.29Å; I45-L47 PolarHBondContact O-N 3.28Å; L47-C158 HydrophobicContact CD2-CB 4.03Å; L47-C158 HydrophobicContact CG-CB 4.03Å; L47-R191 HydrophobicContact CD2-CB 3.7Å
48S98.8Very high98.7Very high95 Ų9544.5 Ų44.566%0.66423%0.233SC*.Hα-helixtrans-78.1-25174.765.40000113.2E44 I45 F46E44-S48 PolarHBondContact O-N 3.25Å; E44-S48 PolarHBondContact O-OG 2.79Å; I45-S48 WeakPolarHBondContact CA-OG 3.49Å; I45-S48 PolarHBondContact O-N 2.67Å; I45-S48 PolarHBondContact O-OG 3.45Å; F46-S48 VanDerWaalsContact C-N 3.35Å
49Q98.8Very high98.7Very high17 Ų1744.8 Ų44.88%0.07924%0.235CC..SBendtrans-90.8154.8175.9-69.9-178.9-16.700111.4I45 F46 L53 P115 E116 R191I45-Q49 PolarHBondContact O-N 3.05Å; F46-Q49 PolarHBondContact O-N 3.42Å; Q49-L53 HydrophobicContact CB-CD2 4.29Å; Q49-P115 PolarHBondContact NE2-O 2.8Å; Q49-E116 PolarHBondContact NE2-OE1 2.98Å; Q49-R191 PolarHBondContact O-NH2 3.02Å
50P98.8Very high98.7Very high80 Ų8046.2 Ų46.252%0.51924%0.241SC..  trans-57.4153.4176-26.937.2000113.6L52 L53P50-L52 WeakPolarHBondContact CB-O 3.31Å; P50-L53 WeakPolarHBondContact O-CD2 3.41Å
51I98.8Very high98.7Very high8 Ų843.6 Ų43.64%0.04123%0.227CC..SBendtrans-76.8-29173.6-162.6-178.4000112.6P160 I161 I186 V189 R191I51-P160 CarbonylContact O-C 3.51Å; I51-P160 WeakPolarHBondContact O-CA 3.45Å; I51-P160 VanDerWaalsContact O-CB 3.22Å; I51-P160 WeakPolarHBondContact O-CB 3.35Å; I51-I161 HydrophobicContact CD1-CD1 3.87Å; I51-I161 HydrophobicContact CD1-CG1 4.11Å; I51-I161 HydrophobicContact CD1-CG2 4.01Å; I51-I161 HydrophobicContact CG1-CD1 4.33Å; I51-I161 HydrophobicContact CG1-CG1 4.04Å; I51-I161 HydrophobicContact CG1-CG2 4.13Å; I51-I161 PolarHBondContact O-N 2.87Å; I51-I186 WeakPolarHBondContact CG2-O 3.45Å; I51-V189 HydrophobicContact CD1-CB 3.72Å; I51-V189 HydrophobicContact CD1-CG1 3.64Å; I51-R191 HydrophobicContact CD1-CG 3.77Å; I51-R191 HydrophobicContact CG1-CG 4.31Å
52L98.9Very high98.7Very high2 Ų239.9 Ų39.91%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-102.2104.5164.9174.560000106.6P50 A162 I164 M183 I186 R187P50-L52 WeakPolarHBondContact CB-O 3.31Å; L52-A162 WeakPolarHBondContact CA-O 3.07Å; L52-A162 HydrophobicContact CD1-CB 3.68Å; L52-I164 HydrophobicContact CD1-CD1 4.25Å; L52-I164 HydrophobicContact CD1-CG1 4.17Å; L52-I164 HydrophobicContact CD2-CD1 4.21Å; L52-M183 HydrophobicContact CD2-CB 3.82Å; L52-M183 HydrophobicContact CD2-CG 4.43Å; L52-M183 HydrophobicContact CD2-SD 4.5Å; L52-I186 HydrophobicContact CB-CB 4.5Å; L52-I186 HydrophobicContact CB-CG2 3.88Å; L52-I186 HydrophobicContact CD1-CG2 4.42Å; L52-R187 HydrophobicContact CB-CG 4.05Å; L52-R187 HydrophobicContact CD2-CG 4Å
53L98.9Very high98.7Very high5 Ų539.9 Ų39.93%0.02621%0.211CC..EExtended strand (participates in β ladder)trans-73.5140.8-179.7-59.3173.7000110.1Q49 P50 L55 F119 L121 P160 A162 A163 I164Q49-L53 HydrophobicContact CB-CD2 4.29Å; P50-L53 WeakPolarHBondContact O-CD2 3.41Å; L53-L55 HydrophobicContact CB-CD1 4.39Å; L53-L55 HydrophobicContact CB-CD2 4.05Å; L53-L55 HydrophobicContact CB-CG 4.02Å; L53-L55 HydrophobicContact CD1-CD1 4.49Å; L53-F119 HydrophobicContact CD1-CB 4Å; L53-F119 HydrophobicContact CD1-CD1 3.9Å; L53-F119 HydrophobicContact CD1-CG 4.28Å; L53-L121 HydrophobicContact CD1-CD2 3.95Å; L53-P160 HydrophobicContact CD1-CB 4.19Å; L53-P160 HydrophobicContact CD1-CG 3.83Å; L53-P160 HydrophobicContact CD2-CB 4.25Å; L53-P160 HydrophobicContact CD2-CG 4.35Å; L53-P160 HydrophobicContact CG-CB 3.93Å; L53-P160 HydrophobicContact CG-CG 4.1Å; L53-A162 PolarHBondContact N-O 3.28Å; L53-A163 HydrophobicContact CB-CB 3.82Å; L53-A163 HydrophobicContact CD1-CB 4.49Å; L53-A163 CarbonylContact O-C 3.54Å; L53-A163 WeakPolarHBondContact O-CA 3.31Å; L53-I164 PolarHBondContact O-N 2.82Å
54E98.8Very high98.7Very high96 Ų9636.5 Ų36.545%0.44920%0.199SC..EExtended strand (participates in β ladder)trans-111116.2168.6-53.6-70.4175.700105.7R187E54-R187 IonicContact OE1-CZ 3.49Å; E54-R187 IonicContact OE1-NE 3.3Å; E54-R187 IonicContact OE1-NH2 3.75Å; E54-R187 PolarHBondContact OE1-NH2 2.89Å
55L98.8Very high98.7Very high16 Ų1632.3 Ų32.38%0.08418%0.179CC..EExtended strand (participates in β ladder)trans-125.1156.2-170.3-56.8-179.5000110.4L53 L59 L88 F119 A163 I164 V165 D166L53-L55 HydrophobicContact CB-CD1 4.39Å; L53-L55 HydrophobicContact CB-CD2 4.05Å; L53-L55 HydrophobicContact CB-CG 4.02Å; L53-L55 HydrophobicContact CD1-CD1 4.49Å; L55-L59 HydrophobicContact CD1-CD1 4.23Å; L55-L88 HydrophobicContact CD1-CB 4.46Å; L55-L88 HydrophobicContact CD1-CD1 3.98Å; L55-L88 HydrophobicContact CD1-CD2 4.13Å; L55-L88 HydrophobicContact CD1-CG 4.42Å; L55-F119 HydrophobicContact CD1-CB 4.33Å; L55-F119 HydrophobicContact CD1-CD2 4.04Å; L55-F119 HydrophobicContact CD1-CG 4.07Å; L55-F119 HydrophobicContact CD2-CD1 3.73Å; L55-F119 HydrophobicContact CD2-CD2 3.86Å; L55-F119 HydrophobicContact CD2-CE1 3.51Å; L55-F119 HydrophobicContact CD2-CE2 3.66Å; L55-F119 HydrophobicContact CD2-CG 3.89Å; L55-F119 HydrophobicContact CD2-CZ 3.47Å; L55-F119 VanDerWaalsContact CD2-CZ 3.47Å; L55-A163 HydrophobicContact CD1-CB 3.89Å; L55-A163 HydrophobicContact CG-CB 4.37Å; L55-I164 PolarHBondContact N-O 2.88Å; L55-V165 HydrophobicContact CB-CG2 4.36Å; L55-V165 CarbonylContact O-C 3.54Å; L55-V165 VanDerWaalsContact O-CA 3.31Å; L55-V165 WeakPolarHBondContact O-CA 3.49Å; L55-D166 PolarHBondContact O-N 2.82Å
56E98.4Very high98.7Very high156 Ų15631.5 Ų31.573%0.72918%0.175SC*.  trans-117.5144.8177.4-63.1177.5175.400109.8D166E56-D166 WeakPolarHBondContact CA-OD1 3.4Å
57A98Very high98.7Very high16 Ų1631.5 Ų31.513%0.13218%0.176CC..SBendtrans-70.3156.9166.900000110.7L59 V165 D166 V285 D286A57-L59 HydrophobicContact CB-CD2 4.34Å; A57-V165 HydrophobicContact CB-CG1 4.5Å; A57-D166 WeakPolarHBondContact CB-OD2 3.42Å; A57-D166 PolarHBondContact N-OD2 3.47Å; A57-V285 HydrophobicContact CB-CG1 4.06Å; A57-D286 WeakPolarHBondContact CB-O 3.5Å
58P98.4Very high98.7Very high60 Ų6029.8 Ų29.839%0.3917%0.166SC..SBendcis-81.1140.75.332.8-33.5000112.6N86 V285 E287P58-N86 WeakPolarHBondContact O-CB 3.4Å; P58-N86 PolarHBondContact O-ND2 3.27Å; P58-V285 VanDerWaalsContact CA-O 3.25Å; P58-V285 WeakPolarHBondContact CA-O 3.26Å; P58-E287 HydrophobicContact CG-CG 4.3Å
59L98.3Very high98.7Very high6 Ų625.3 Ų25.33%0.03113%0.134CC..EExtended strand (participates in β ladder)trans-151.7160.7171.882.2167.5000112.9L55 A57 I61 N86 L88 V165 V285L55-L59 HydrophobicContact CD1-CD1 4.23Å; A57-L59 HydrophobicContact CB-CD2 4.34Å; L59-I61 HydrophobicContact CD1-CG1 4.23Å; L59-I61 HydrophobicContact CG-CG1 4.12Å; L59-N86 WeakPolarHBondContact CA-O 3.43Å; L59-N86 HydrophobicContact CB-CB 3.88Å; L59-L88 HydrophobicContact CD1-CB 3.71Å; L59-L88 HydrophobicContact CD1-CD2 4.4Å; L59-V165 HydrophobicContact CD1-CG2 4.11Å; L59-V165 HydrophobicContact CD2-CB 4.45Å; L59-V165 HydrophobicContact CD2-CG1 3.48Å; L59-V165 VanDerWaalsContact CD2-CG1 3.48Å; L59-V165 HydrophobicContact CD2-CG2 4.1Å; L59-V285 HydrophobicContact CD2-CB 3.98Å; L59-V285 HydrophobicContact CD2-CG2 4.36Å; L59-V285 PolarHBondContact N-O 2.58Å; L59-V285 PolarHBondContact O-N 3.3Å
60K98.9Very high98.6Very high31 Ų3125.6 Ų25.614%0.13514%0.135CC..EExtended strand (participates in β ladder)trans-109.4122.7174.9-65.8176.8-177.2-75.40109.6G79 S85 N86 Y87 L88 M282 M283 S284K60-G79 VanDerWaalsContact CD-O 3.31Å; K60-G79 WeakPolarHBondContact CD-O 3.48Å; K60-G79 WeakPolarHBondContact CE-O 3.45Å; K60-S85 VanDerWaalsContact CE-OG 3.23Å; K60-S85 WeakPolarHBondContact CE-OG 3.5Å; K60-N86 PolarHBondContact N-O 3.05Å; K60-Y87 HydrophobicContact CB-CD1 3.86Å; K60-Y87 HydrophobicContact CB-CE1 3.76Å; K60-Y87 HydrophobicContact CD-CE1 4.15Å; K60-Y87 WeakPolarHBondContact O-CA 3.17Å; K60-L88 PolarHBondContact O-N 3.46Å; K60-M282 HydrophobicContact CB-SD 4.42Å; K60-M282 HydrophobicContact CD-SD 3.93Å; K60-M282 HydrophobicContact CG-SD 4.45Å; K60-M283 CarbonylContact C-O 3.45Å; K60-M283 WeakPolarHBondContact CA-O 3.49Å; K60-S284 PolarHBondContact NZ-OG 2.97Å
61I98.9Very high98.6Very high0 Ų023.3 Ų23.30%012%0.118CC..EExtended strand (participates in β ladder)trans-101.8128.2-178.9-49.6179.4000109.3L59 L88 L90 V165 L266 M282 M283 V285L59-I61 HydrophobicContact CD1-CG1 4.23Å; L59-I61 HydrophobicContact CG-CG1 4.12Å; I61-L88 CarbonylContact C-O 3.2Å; I61-L88 VanDerWaalsContact CA-O 3.25Å; I61-L88 WeakPolarHBondContact CA-O 3.4Å; I61-L88 HydrophobicContact CD1-CD2 4.33Å; I61-L88 HydrophobicContact CG1-CB 4.31Å; I61-L88 HydrophobicContact CG1-CD2 4.33Å; I61-L88 HydrophobicContact CG2-CD2 4.27Å; I61-L88 HydrophobicContact CG2-CG 4.41Å; I61-L90 HydrophobicContact CG2-CD1 3.84Å; I61-L90 HydrophobicContact CG2-CD2 3.81Å; I61-L90 HydrophobicContact CG2-CG 3.77Å; I61-V165 HydrophobicContact CD1-CG2 4.4Å; I61-L266 HydrophobicContact CB-CD1 4.12Å; I61-L266 HydrophobicContact CG2-CD1 3.95Å; I61-L266 WeakPolarHBondContact O-CD1 3.23Å; I61-M282 CarbonylContact O-C 3.52Å; I61-M282 WeakPolarHBondContact O-CA 3.41Å; I61-M283 HydrophobicContact CD1-CE 3.79Å; I61-M283 PolarHBondContact N-O 2.92Å; I61-M283 PolarHBondContact O-N 2.89Å; I61-V285 HydrophobicContact CD1-CG2 4.08Å
62C98.9Very high98.5Very high0 Ų022.9 Ų22.90%012%0.116CC..EExtended strand (participates in β ladder)trans-122.2139.7-178.3-56.30000110.7L75 L88 F89 L90C62-L75 HydrophobicContact CB-CD1 4.42Å; C62-L88 PolarHBondContact N-O 2.91Å; C62-F89 HydrophobicContact CB-CD1 3.56Å; C62-F89 HydrophobicContact CB-CE1 3.6Å; C62-F89 HydrophobicContact CB-CG 4.09Å; C62-F89 HydrophobicContact CB-CZ 4.14Å; C62-F89 CarbonylContact O-C 3.26Å; C62-F89 WeakPolarHBondContact O-CA 3.46Å; C62-L90 WeakPolarHBondContact O-CB 3.33Å; C62-L90 WeakPolarHBondContact O-CG 2.97Å; C62-L90 PolarHBondContact O-N 2.78Å
63G98.9Very high98.5Very high0 Ų023 Ų230%012%0.116CC..  trans-85-149.217200000112.7S268G63-S268 PolarHBondContact N-OG 3.26Å
64D98.9Very high98.4Very high2 Ų226 Ų261%0.01113%0.127CC..BIsolated β-bridgetrans-60.4143-174.2-53.621.2000112.7H66 D92 H173 A247 H248 F267 S268 A269D64-H66 IonicContact OD2-NE2 3.44Å; D64-D92 HydrophobicContact CB-CB 3.99Å; D64-H173 IonicContact OD1-CE1 3.62Å; D64-H173 PolarHBondContact OD1-CE1 3.15Å; D64-H173 IonicContact OD1-ND1 3.13Å; D64-H173 IonicContact OD2-CE1 3.81Å; D64-A247 WeakPolarHBondContact OD1-CB 3.3Å; D64-H248 PolarHBondContact OD1-N 3.46Å; D64-H248 WeakPolarHBondContact OD2-CA 3.31Å; D64-F267 HydrophobicContact CB-CD2 3.85Å; D64-F267 HydrophobicContact CB-CE2 3.53Å; D64-F267 HydrophobicContact CB-CZ 3.98Å; D64-F267 WeakPolarHBondContact OD2-CE2 3.38Å; D64-S268 CarbonylContact O-C 3.55Å; D64-S268 VanDerWaalsContact O-C 3.27Å; D64-S268 WeakPolarHBondContact O-CA 3.33Å; D64-S268 WeakPolarHBondContact O-CB 3.26Å; D64-S268 PolarHBondContact O-N 3.04Å; D64-S268 VanDerWaalsContact O-N 3.16Å; D64-A269 PolarHBondContact O-N 2.91Å
65I98.8Very high98.4Very high3 Ų321.6 Ų21.62%0.01511%0.107CC..  trans-120.4-35.3178.8-55.8-63.7000112G67 Q68 L72 L75 F89 D92 T103I65-G67 PolarHBondContact O-N 2.98Å; I65-Q68 WeakPolarHBondContact O-CB 3.47Å; I65-Q68 PolarHBondContact O-N 2.91Å; I65-L72 HydrophobicContact CD1-CD1 4.18Å; I65-L72 HydrophobicContact CG1-CD1 4.47Å; I65-L72 HydrophobicContact CG2-CB 4Å; I65-L75 HydrophobicContact CD1-CD1 4.14Å; I65-F89 HydrophobicContact CD1-CD1 4.35Å; I65-F89 HydrophobicContact CD1-CE1 3.98Å; I65-F89 HydrophobicContact CG1-CD1 4.05Å; I65-F89 HydrophobicContact CG1-CE1 4.02Å; I65-D92 PolarHBondContact N-O 3.27Å; I65-T103 HydrophobicContact CB-CG2 4.26Å; I65-T103 HydrophobicContact CG2-CG2 3.53Å
66H98.7Very high98.4Very high3 Ų320.8 Ų20.81%0.01410%0.103CC..THydrogen-bonded Turntrans44.952.7173.8-75.8-59.5000114.4D64 Q68 D92 V94 D95 R96 G97 H125 Y272D64-H66 IonicContact OD2-NE2 3.44Å; H66-Q68 PolarHBondContact O-N 3.31Å; H66-D92 IonicContact CE1-OD2 2.73Å; H66-D92 PolarHBondContact CE1-OD2 2.81Å; H66-D92 PolarHBondContact N-O 2.93Å; H66-D92 IonicContact NE2-OD2 3.62Å; H66-D92 PolarHBondContact NE2-OD2 2.65Å; H66-V94 PolarHBondContact ND1-O 3.41Å; H66-D95 CarbonylContact C-O 3.58Å; H66-D95 WeakPolarHBondContact CA-O 3.48Å; H66-D95 WeakPolarHBondContact CB-O 3.37Å; H66-D95 VanDerWaalsContact O-O 3.08Å; H66-R96 HydrophobicContact CB-CB 4.34Å; H66-G97 WeakPolarHBondContact O-CA 3.38Å; H66-G97 PolarHBondContact O-N 2.71Å; H66-H125 AromaticContact CE1-CD2 3.61Å; H66-H125 AromaticContact CE1-CG 3.82Å; H66-H125 AromaticContact CE1-NE2 3.79Å; H66-Y272 HydrophobicContact CB-CE2 3.74Å; H66-Y272 AromaticContact CD2-CE2 3.22Å; H66-Y272 WeakPolarHBondContact CD2-CE2 3.36Å; H66-Y272 AromaticContact CD2-CZ 3.55Å; H66-Y272 PolarHBondContact CD2-OH 3.2Å; H66-Y272 VanDerWaalsContact CD2-OH 3.24Å; H66-Y272 AromaticContact CG-CE2 3.69Å; H66-Y272 AromaticContact NE2-CE2 4Å; H66-Y272 AromaticContact NE2-CZ 3.82Å; H66-Y272 PolarHBondContact NE2-OH 2.73Å; H66-Y272 VanDerWaalsContact NE2-OH 3.1Å
67G98.4Very high98.3Very high2 Ų217.8 Ų17.82%0.0219%0.089CC..THydrogen-bonded Turntrans6314176.300000115.6I65 Y69 Y93 Q99 T103I65-G67 PolarHBondContact O-N 2.98Å; G67-Y69 PolarHBondContact O-N 3.38Å; G67-Y93 PolarHBondContact N-O 2.99Å; G67-Q99 CarbonylContact O-C 3.59Å; G67-Q99 PolarHBondContact O-N 3.13Å; G67-Q99 VanDerWaalsContact O-N 3.09Å; G67-T103 WeakPolarHBondContact CA-OG1 3.31Å
68Q98.4Very high98.2Very high27 Ų2723.7 Ų23.713%0.12611%0.109CC..  trans-79.263.3171.9-62.9-163.3-179.600110.9I65 H66 Y70 D71 L72 A269 P270I65-Q68 WeakPolarHBondContact O-CB 3.47Å; I65-Q68 PolarHBondContact O-N 2.91Å; H66-Q68 PolarHBondContact O-N 3.31Å; Q68-Y70 VanDerWaalsContact C-N 3.31Å; Q68-Y70 PolarHBondContact O-N 2.81Å; Q68-Y70 VanDerWaalsContact O-N 3.15Å; Q68-D71 HydrophobicContact CB-CB 4.16Å; Q68-D71 PolarHBondContact NE2-OD2 2.67Å; Q68-D71 WeakPolarHBondContact O-CA 3.2Å; Q68-D71 PolarHBondContact O-N 3.4Å; Q68-L72 PolarHBondContact O-N 2.88Å; Q68-A269 HydrophobicContact CG-CB 4.36Å; Q68-P270 PolarHBondContact NE2-O 3.4Å
69Y98.5Very high98.1Very high1 Ų121.1 Ų21.10%0.0049%0.093CC..Hα-helixtrans-53.4-41.1-169.3-176.8-123.1000114.9L16 V19 V28 G67 D71 L72 L73 E102 T103 L106L16-Y69 WeakPolarHBondContact CB-OH 3.25Å; L16-Y69 PolarHBondContact O-OH 3.2Å; V19-Y69 HydrophobicContact CG2-CD1 4.46Å; V19-Y69 HydrophobicContact CG2-CE1 3.69Å; V28-Y69 HydrophobicContact CG2-CE1 4.5Å; G67-Y69 PolarHBondContact O-N 3.38Å; Y69-D71 VanDerWaalsContact C-N 3.31Å; Y69-D71 PolarHBondContact O-N 3.34Å; Y69-L72 HydrophobicContact CD2-CD2 4.49Å; Y69-L72 WeakPolarHBondContact O-CB 3.27Å; Y69-L72 PolarHBondContact O-N 3.01Å; Y69-L73 HydrophobicContact CD1-CD1 4.17Å; Y69-L73 HydrophobicContact CE1-CD1 3.74Å; Y69-L73 HydrophobicContact CE1-CG 4.32Å; Y69-L73 HydrophobicContact CE2-CD2 4.32Å; Y69-L73 HydrophobicContact CE2-CG 4.38Å; Y69-L73 WeakPolarHBondContact O-CG 3.41Å; Y69-L73 PolarHBondContact O-N 2.96Å; Y69-E102 HydrophobicContact CD1-CB 3.61Å; Y69-E102 HydrophobicContact CD1-CG 4.14Å; Y69-E102 HydrophobicContact CD2-CB 3.64Å; Y69-E102 HydrophobicContact CE1-CB 3.77Å; Y69-E102 HydrophobicContact CE1-CG 4.15Å; Y69-E102 HydrophobicContact CE2-CB 3.8Å; Y69-E102 WeakPolarHBondContact CE2-O 3.47Å; Y69-E102 HydrophobicContact CG-CB 3.54Å; Y69-T103 WeakPolarHBondContact CA-OG1 3.39Å; Y69-T103 WeakPolarHBondContact CB-OG1 3.22Å; Y69-L106 HydrophobicContact CE2-CB 4.05Å; Y69-L106 HydrophobicContact CE2-CD2 3.75Å
70Y97.6Very high98.1Very high24 Ų2421.5 Ų21.59%0.09410%0.099CC..Hα-helixtrans-69.7-30178.9-80.8-99.8000112.7V19 K23 P24 K26 Q68 L73 R74 Q99V19-Y70 WeakPolarHBondContact O-CE1 3.48Å; K23-Y70 PolarHBondContact O-OH 3.38Å; P24-Y70 HydrophobicContact CB-CD1 4.01Å; P24-Y70 HydrophobicContact CB-CD2 4.29Å; P24-Y70 HydrophobicContact CB-CE1 4.37Å; P24-Y70 HydrophobicContact CB-CG 3.96Å; P24-Y70 HydrophobicContact CG-CD1 4.04Å; P24-Y70 HydrophobicContact CG-CE1 4.42Å; P24-Y70 HydrophobicContact CG-CG 4.41Å; K26-Y70 VanDerWaalsContact CB-OH 3.31Å; K26-Y70 WeakPolarHBondContact CB-OH 3.4Å; K26-Y70 PolarHBondContact N-OH 2.92Å; K26-Y70 PolarHBondContact O-OH 2.89Å; Q68-Y70 VanDerWaalsContact C-N 3.31Å; Q68-Y70 PolarHBondContact O-N 2.81Å; Q68-Y70 VanDerWaalsContact O-N 3.15Å; Y70-L73 PolarHBondContact O-N 3.28Å; Y70-R74 WeakPolarHBondContact O-CG 3.31Å; Y70-R74 PolarHBondContact O-N 2.89Å; Y70-Q99 VanDerWaalsContact CE2-OE1 3.22Å
71D97.6Very high98.1Very high31 Ų3121.3 Ų21.317%0.16610%0.098CC..Hα-helixtrans-74.3-34173.6-62.9-52.8000111Q68 Y69 L73 R74 L75 P270 L296Q68-D71 HydrophobicContact CB-CB 4.16Å; Q68-D71 PolarHBondContact NE2-OD2 2.67Å; Q68-D71 WeakPolarHBondContact O-CA 3.2Å; Q68-D71 PolarHBondContact O-N 3.4Å; Y69-D71 VanDerWaalsContact C-N 3.31Å; Y69-D71 PolarHBondContact O-N 3.34Å; D71-L73 VanDerWaalsContact C-N 3.32Å; D71-L73 PolarHBondContact O-N 3.14Å; D71-R74 PolarHBondContact O-N 3.22Å; D71-R74 IonicContact OD1-CZ 2.8Å; D71-R74 IonicContact OD1-NH1 3.89Å; D71-R74 PolarHBondContact OD1-NH1 3.03Å; D71-L75 VanDerWaalsContact O-CB 3.31Å; D71-L75 WeakPolarHBondContact O-CB 3.36Å; D71-L75 PolarHBondContact O-N 2.84Å; D71-P270 HydrophobicContact CB-CG 4.02Å; D71-L296 HydrophobicContact CB-CD2 4.33Å
72L98.4Very high98.1Very high0 Ų021.7 Ų21.70%010%0.101CC..Hα-helixtrans-59.2-42.4168.5177.464.3000111.7I65 Q68 Y69 L75 F76 F89 T103 L106 L107I65-L72 HydrophobicContact CD1-CD1 4.18Å; I65-L72 HydrophobicContact CG1-CD1 4.47Å; I65-L72 HydrophobicContact CG2-CB 4Å; Q68-L72 PolarHBondContact O-N 2.88Å; Y69-L72 HydrophobicContact CD2-CD2 4.49Å; Y69-L72 WeakPolarHBondContact O-CB 3.27Å; Y69-L72 PolarHBondContact O-N 3.01Å; L72-L75 VanDerWaalsContact O-CB 3.31Å; L72-L75 WeakPolarHBondContact O-CB 3.4Å; L72-L75 PolarHBondContact O-N 2.96Å; L72-F76 HydrophobicContact CD1-CD2 4.16Å; L72-F76 HydrophobicContact CD1-CE2 3.53Å; L72-F76 HydrophobicContact CD1-CZ 3.76Å; L72-F76 HydrophobicContact CD2-CE2 4.08Å; L72-F76 HydrophobicContact CG-CD2 4.09Å; L72-F76 HydrophobicContact CG-CE2 3.62Å; L72-F76 HydrophobicContact CG-CZ 4.34Å; L72-F76 WeakPolarHBondContact O-CD2 3.32Å; L72-F76 PolarHBondContact O-N 2.83Å; L72-F89 HydrophobicContact CD1-CE1 3.68Å; L72-F89 HydrophobicContact CD1-CZ 3.78Å; L72-T103 HydrophobicContact CD2-CG2 3.98Å; L72-L106 HydrophobicContact CD2-CD2 4.37Å; L72-L107 HydrophobicContact CD1-CD2 4.23Å; L72-L107 HydrophobicContact CD2-CD2 3.96Å; L72-L107 HydrophobicContact CD2-CG 4.11Å
73L98.1Very high98Very high3 Ų325.1 Ų25.12%0.01612%0.123CC..Hα-helixtrans-63.7-42.3175.6-65.5174000111.8L17 V19 R20 Y69 Y70 D71 L75 F76 E77 L106L17-L73 HydrophobicContact CD2-CD2 3.64Å; V19-L73 HydrophobicContact CG2-CD1 4.25Å; R20-L73 HydrophobicContact CG-CB 4.29Å; R20-L73 HydrophobicContact CG-CD1 3.86Å; R20-L73 HydrophobicContact CG-CD2 4.1Å; R20-L73 HydrophobicContact CG-CG 4.31Å; Y69-L73 HydrophobicContact CD1-CD1 4.17Å; Y69-L73 HydrophobicContact CE1-CD1 3.74Å; Y69-L73 HydrophobicContact CE1-CG 4.32Å; Y69-L73 HydrophobicContact CE2-CD2 4.32Å; Y69-L73 HydrophobicContact CE2-CG 4.38Å; Y69-L73 WeakPolarHBondContact O-CG 3.41Å; Y69-L73 PolarHBondContact O-N 2.96Å; Y70-L73 PolarHBondContact O-N 3.28Å; D71-L73 VanDerWaalsContact C-N 3.32Å; D71-L73 PolarHBondContact O-N 3.14Å; L73-L75 VanDerWaalsContact C-N 3.29Å; L73-L75 PolarHBondContact O-N 3.36Å; L73-F76 PolarHBondContact O-N 2.99Å; L73-E77 WeakPolarHBondContact O-CG 3.38Å; L73-E77 PolarHBondContact O-N 3.11Å; L73-L106 HydrophobicContact CD2-CD2 3.83Å
74R97.2Very high98Very high68 Ų6832.1 Ų32.126%0.25716%0.156SC..Hα-helixtrans-63.5-36174.1-70.9169.967-149.8-0.1112Y70 D71 E77 Y78 L296 K297Y70-R74 WeakPolarHBondContact O-CG 3.31Å; Y70-R74 PolarHBondContact O-N 2.89Å; D71-R74 PolarHBondContact O-N 3.22Å; D71-R74 IonicContact OD1-CZ 2.8Å; D71-R74 IonicContact OD1-NH1 3.89Å; D71-R74 PolarHBondContact OD1-NH1 3.03Å; R74-E77 PolarHBondContact O-N 3.12Å; R74-Y78 WeakPolarHBondContact O-CB 3.38Å; R74-Y78 PolarHBondContact O-N 2.89Å; R74-L296 HydrophobicContact CB-CD1 4.11Å; R74-L296 HydrophobicContact CB-CD2 4.02Å; R74-K297 PolarHBondContact NH2-O 3.47Å
75L97.8Very high98Very high4 Ų433.4 Ų33.42%0.02116%0.164CC..Hα-helixtrans-59.6-51.4175.3-166.5155.8000109.4C62 I65 D71 L72 L73 E77 Y78 G79 Y87 M282C62-L75 HydrophobicContact CB-CD1 4.42Å; I65-L75 HydrophobicContact CD1-CD1 4.14Å; D71-L75 VanDerWaalsContact O-CB 3.31Å; D71-L75 WeakPolarHBondContact O-CB 3.36Å; D71-L75 PolarHBondContact O-N 2.84Å; L72-L75 VanDerWaalsContact O-CB 3.31Å; L72-L75 WeakPolarHBondContact O-CB 3.4Å; L72-L75 PolarHBondContact O-N 2.96Å; L73-L75 VanDerWaalsContact C-N 3.29Å; L73-L75 PolarHBondContact O-N 3.36Å; L75-E77 VanDerWaalsContact C-N 3.35Å; L75-E77 PolarHBondContact O-N 2.83Å; L75-Y78 PolarHBondContact O-N 2.77Å; L75-Y78 VanDerWaalsContact O-N 3.15Å; L75-G79 PolarHBondContact O-N 3.24Å; L75-Y87 HydrophobicContact CD2-CE1 4.01Å; L75-M282 HydrophobicContact CB-CE 4.35Å; L75-M282 HydrophobicContact CD1-CE 4.42Å; L75-M282 HydrophobicContact CD2-CE 3.3Å; L75-M282 HydrophobicContact CD2-SD 4.38Å; L75-M282 HydrophobicContact CG-CE 3.39Å; L75-M282 VanDerWaalsContact O-CE 3.32Å; L75-M282 WeakPolarHBondContact O-CE 3.43Å
76F98.4Very high98Very high0 Ų035.1 Ų35.10%017%0.174CC..Hα-helixtrans-65.5-33.4175.6-67.7-48.1000113.8L72 L73 Y78 G80 F81 P82 Y87 F89 L106 L107 Y110 F118L72-F76 HydrophobicContact CD1-CD2 4.16Å; L72-F76 HydrophobicContact CD1-CE2 3.53Å; L72-F76 HydrophobicContact CD1-CZ 3.76Å; L72-F76 HydrophobicContact CD2-CE2 4.08Å; L72-F76 HydrophobicContact CG-CD2 4.09Å; L72-F76 HydrophobicContact CG-CE2 3.62Å; L72-F76 HydrophobicContact CG-CZ 4.34Å; L72-F76 WeakPolarHBondContact O-CD2 3.32Å; L72-F76 PolarHBondContact O-N 2.83Å; L73-F76 PolarHBondContact O-N 2.99Å; F76-Y78 PolarHBondContact O-N 2.93Å; F76-G80 CarbonylContact O-C 3.45Å; F76-G80 VanDerWaalsContact O-CA 3.26Å; F76-G80 WeakPolarHBondContact O-CA 3.49Å; F76-G80 PolarHBondContact O-N 3.28Å; F76-F81 HydrophobicContact CB-CD1 3.57Å; F76-F81 HydrophobicContact CB-CD2 4.26Å; F76-F81 HydrophobicContact CB-CE1 3.47Å; F76-F81 VanDerWaalsContact CB-CE1 3.47Å; F76-F81 HydrophobicContact CB-CE2 4.17Å; F76-F81 HydrophobicContact CB-CG 3.98Å; F76-F81 HydrophobicContact CB-CZ 3.78Å; F76-F81 HydrophobicContact CD2-CD1 4.43Å; F76-F81 HydrophobicContact CD2-CE1 4.27Å; F76-F81 HydrophobicContact CG-CD1 4.17Å; F76-F81 HydrophobicContact CG-CE1 4.23Å; F76-F81 PolarHBondContact O-N 3.36Å; F76-P82 HydrophobicContact CE1-CG 4.19Å; F76-Y87 HydrophobicContact CD1-CE1 4.06Å; F76-Y87 AromaticContact CD1-CE2 3.98Å; F76-Y87 HydrophobicContact CD1-CE2 3.98Å; F76-Y87 AromaticContact CD1-CZ 3.67Å; F76-Y87 HydrophobicContact CE1-CD1 4.16Å; F76-Y87 HydrophobicContact CE1-CD2 4.22Å; F76-Y87 AromaticContact CE1-CE1 3.98Å; F76-Y87 HydrophobicContact CE1-CE1 3.98Å; F76-Y87 HydrophobicContact CE1-CE2 4.04Å; F76-Y87 HydrophobicContact CE1-CG 4.28Å; F76-Y87 AromaticContact CE1-CZ 3.92Å; F76-F89 HydrophobicContact CE1-CE2 4.11Å; F76-F89 AromaticContact CE1-CZ 3.82Å; F76-F89 HydrophobicContact CE1-CZ 3.82Å; F76-F89 HydrophobicContact CZ-CE2 4.09Å; F76-F89 AromaticContact CZ-CZ 3.7Å; F76-F89 HydrophobicContact CZ-CZ 3.7Å; F76-L106 HydrophobicContact CD2-CD2 4.42Å; F76-L106 HydrophobicContact CE2-CD2 4.1Å; F76-L107 HydrophobicContact CZ-CD2 4.22Å; F76-Y110 HydrophobicContact CD2-CE2 4.34Å; F76-Y110 HydrophobicContact CE2-CD2 4.28Å; F76-Y110 AromaticContact CE2-CE2 3.91Å; F76-Y110 HydrophobicContact CE2-CE2 3.91Å; F76-Y110 HydrophobicContact CZ-CD2 4.25Å; F76-Y110 HydrophobicContact CZ-CE2 4.24Å; F76-F118 HydrophobicContact CE1-CE2 4.02Å; F76-F118 AromaticContact CZ-CE2 3.96Å; F76-F118 HydrophobicContact CZ-CE2 3.96Å; F76-F118 HydrophobicContact CZ-CZ 4.05Å
77E96.7Very high98Very high93 Ų9335 Ų3544%0.43517%0.173SC..Hα-helixtrans-62-33.9172.7-76.8175.1173.900112.7R20 L73 R74 L75 F81R20-E77 IonicContact CZ-OE1 3.24Å; R20-E77 VanDerWaalsContact CZ-OE1 3.24Å; R20-E77 IonicContact NE-OE1 3.93Å; R20-E77 PolarHBondContact NE-OE1 2.88Å; R20-E77 IonicContact NH2-OE1 2.8Å; R20-E77 PolarHBondContact NH2-OE1 3.45Å; L73-E77 WeakPolarHBondContact O-CG 3.38Å; L73-E77 PolarHBondContact O-N 3.11Å; R74-E77 PolarHBondContact O-N 3.12Å; L75-E77 VanDerWaalsContact C-N 3.35Å; L75-E77 PolarHBondContact O-N 2.83Å; E77-F81 HydrophobicContact CB-CE2 4.35Å; E77-F81 HydrophobicContact CG-CE2 3.6Å; E77-F81 HydrophobicContact CG-CZ 3.81Å
78Y96.1Very high98Very high139 Ų13934.9 Ų34.955%0.54517%0.172SC..Hα-helixtrans-88.6-33.3-178.5-154.7-125.8000113.2R74 L75 F76 Q294R74-Y78 WeakPolarHBondContact O-CB 3.38Å; R74-Y78 PolarHBondContact O-N 2.89Å; L75-Y78 PolarHBondContact O-N 2.77Å; L75-Y78 VanDerWaalsContact O-N 3.15Å; F76-Y78 PolarHBondContact O-N 2.93Å; Y78-Q294 HydrophobicContact CD1-CB 3.92Å; Y78-Q294 HydrophobicContact CE1-CB 3.85Å; Y78-Q294 HydrophobicContact CE1-CG 4.42Å; Y78-Q294 PolarHBondContact O-NE2 2.82Å; Y78-Q294 VanDerWaalsContact O-NE2 3.1Å
79G96.9Very high98Very high6 Ų633.6 Ų33.66%0.06217%0.166CC..Hα-helixtrans-93.2-7.2179.500000114.8K60 L75 S85 Y87K60-G79 VanDerWaalsContact CD-O 3.31Å; K60-G79 WeakPolarHBondContact CD-O 3.48Å; K60-G79 WeakPolarHBondContact CE-O 3.45Å; L75-G79 PolarHBondContact O-N 3.24Å; G79-S85 PolarHBondContact O-OG 2.96Å; G79-S85 VanDerWaalsContact O-OG 3.08Å; G79-Y87 WeakPolarHBondContact CA-OH 3.37Å; G79-Y87 PolarHBondContact O-OH 2.92Å
80G98.3Very high98.1Very high15 Ų1533.5 Ų33.516%0.15517%0.166CC..  trans86134.1-170.600000111.6F76 E84 Y87F76-G80 CarbonylContact O-C 3.45Å; F76-G80 VanDerWaalsContact O-CA 3.26Å; F76-G80 WeakPolarHBondContact O-CA 3.49Å; F76-G80 PolarHBondContact O-N 3.28Å; G80-E84 WeakPolarHBondContact CA-OE2 3.45Å; G80-Y87 VanDerWaalsContact O-CE2 3.29Å; G80-Y87 WeakPolarHBondContact O-CE2 3.33Å; G80-Y87 PolarHBondContact O-OH 2.9Å
81F98.4Very high98.1Very high26 Ų2632.4 Ų32.411%0.11416%0.161CC..  trans-75.7145.4-178.8-80.2-91.7000110.5L17 F76 E77 E84 Y110L17-F81 HydrophobicContact CD1-CD1 4.5Å; L17-F81 HydrophobicContact CD2-CD1 4.31Å; L17-F81 HydrophobicContact CD2-CE1 3.72Å; F76-F81 HydrophobicContact CB-CD1 3.57Å; F76-F81 HydrophobicContact CB-CD2 4.26Å; F76-F81 HydrophobicContact CB-CE1 3.47Å; F76-F81 VanDerWaalsContact CB-CE1 3.47Å; F76-F81 HydrophobicContact CB-CE2 4.17Å; F76-F81 HydrophobicContact CB-CG 3.98Å; F76-F81 HydrophobicContact CB-CZ 3.78Å; F76-F81 HydrophobicContact CD2-CD1 4.43Å; F76-F81 HydrophobicContact CD2-CE1 4.27Å; F76-F81 HydrophobicContact CG-CD1 4.17Å; F76-F81 HydrophobicContact CG-CE1 4.23Å; F76-F81 PolarHBondContact O-N 3.36Å; E77-F81 HydrophobicContact CB-CE2 4.35Å; E77-F81 HydrophobicContact CG-CE2 3.6Å; E77-F81 HydrophobicContact CG-CZ 3.81Å; F81-E84 PolarHBondContact N-OE2 2.93Å; F81-E84 WeakPolarHBondContact O-CA 3.33Å; F81-E84 WeakPolarHBondContact O-CB 3.49Å; F81-E84 VanDerWaalsContact O-CG 3.3Å; F81-E84 WeakPolarHBondContact O-CG 3.39Å; F81-E84 PolarHBondContact O-N 3.39Å; F81-Y110 WeakPolarHBondContact CD1-OH 3.49Å
82P98.2Very high98.2Very high9 Ų931 Ų316%0.05815%0.154CC..THydrogen-bonded Turntrans-55.6131.9172.4-25.934.4000112F76 Y87 Y110 Y114 F118F76-P82 HydrophobicContact CE1-CG 4.19Å; P82-Y87 HydrophobicContact CG-CD2 3.96Å; P82-Y87 HydrophobicContact CG-CE2 4.12Å; P82-Y110 HydrophobicContact CB-CD1 3.9Å; P82-Y110 HydrophobicContact CB-CE1 4.06Å; P82-Y110 HydrophobicContact CB-CG 4.25Å; P82-Y110 HydrophobicContact CG-CD1 4.12Å; P82-Y110 HydrophobicContact CG-CD2 4.05Å; P82-Y110 HydrophobicContact CG-CE1 4.22Å; P82-Y110 HydrophobicContact CG-CE2 4.14Å; P82-Y110 HydrophobicContact CG-CG 4.05Å; P82-Y114 HydrophobicContact CB-CD2 3.63Å; P82-Y114 HydrophobicContact CB-CE2 3.75Å; P82-Y114 WeakPolarHBondContact O-CE2 3.43Å; P82-F118 HydrophobicContact CB-CD2 4.23Å; P82-F118 HydrophobicContact CG-CD2 3.67Å; P82-F118 HydrophobicContact CG-CE2 3.69Å
83P98.1Very high98.2Very high72 Ų7231 Ų3147%0.46815%0.154SC..THydrogen-bonded Turncis-101.418.812.339.6-30.9000114.3S85 Y114P83-S85 PolarHBondContact O-N 3.3Å; P83-Y114 HydrophobicContact CB-CD1 3.88Å; P83-Y114 HydrophobicContact CB-CE1 3.82Å; P83-Y114 HydrophobicContact CB-CE2 4.48Å; P83-Y114 HydrophobicContact CB-CG 4.28Å; P83-Y114 WeakPolarHBondContact CD-OH 3.36Å; P83-Y114 HydrophobicContact CG-CD1 4.3Å; P83-Y114 HydrophobicContact CG-CE1 3.72Å
84E98.3Very high98.2Very high147 Ų14730.9 Ų30.969%0.68715%0.153SC*.SBendtrans-60.7-23.7177.8-59.6171177.100112.7G80 F81G80-E84 WeakPolarHBondContact CA-OE2 3.45Å; F81-E84 PolarHBondContact N-OE2 2.93Å; F81-E84 WeakPolarHBondContact O-CA 3.33Å; F81-E84 WeakPolarHBondContact O-CB 3.49Å; F81-E84 VanDerWaalsContact O-CG 3.3Å; F81-E84 WeakPolarHBondContact O-CG 3.39Å; F81-E84 PolarHBondContact O-N 3.39Å
85S98.4Very high98.3Very high28 Ų2827.6 Ų27.620%0.19614%0.141CC..SBendtrans-141.3145.8170.9-72.40000110.3K60 G79 P83 Y87K60-S85 VanDerWaalsContact CE-OG 3.23Å; K60-S85 WeakPolarHBondContact CE-OG 3.5Å; G79-S85 PolarHBondContact O-OG 2.96Å; G79-S85 VanDerWaalsContact O-OG 3.08Å; P83-S85 PolarHBondContact O-N 3.3Å; S85-Y87 VanDerWaalsContact O-CD2 3.23Å; S85-Y87 WeakPolarHBondContact O-CD2 3.23Å; S85-Y87 WeakPolarHBondContact O-CE2 3.37Å
86N98.8Very high98.2Very high39 Ų3933.1 Ų33.121%0.20916%0.161CC..  trans-76.6143.7169.9-57.3-38.8000109.4P58 L59 K60 N117P58-N86 WeakPolarHBondContact O-CB 3.4Å; P58-N86 PolarHBondContact O-ND2 3.27Å; L59-N86 WeakPolarHBondContact CA-O 3.43Å; L59-N86 HydrophobicContact CB-CB 3.88Å; K60-N86 PolarHBondContact N-O 3.05Å; N86-N117 CarbonylContact C-O 3.13Å; N86-N117 WeakPolarHBondContact CA-O 3.03Å; N86-N117 VanDerWaalsContact OD1-CB 3.27Å; N86-N117 WeakPolarHBondContact OD1-CB 3.49Å; N86-N117 PolarHBondContact OD1-ND2 3.39Å
87Y98.9Very high98.1Very high0 Ų034.1 Ų34.10%017%0.172CC..EExtended strand (participates in β ladder)trans-129.7140.5-178.4-77.1-90.6000112.9K60 L75 F76 G79 G80 P82 S85 F89 N117 F118 F119K60-Y87 HydrophobicContact CB-CD1 3.86Å; K60-Y87 HydrophobicContact CB-CE1 3.76Å; K60-Y87 HydrophobicContact CD-CE1 4.15Å; K60-Y87 WeakPolarHBondContact O-CA 3.17Å; L75-Y87 HydrophobicContact CD2-CE1 4.01Å; F76-Y87 HydrophobicContact CD1-CE1 4.06Å; F76-Y87 AromaticContact CD1-CE2 3.98Å; F76-Y87 HydrophobicContact CD1-CE2 3.98Å; F76-Y87 AromaticContact CD1-CZ 3.67Å; F76-Y87 HydrophobicContact CE1-CD1 4.16Å; F76-Y87 HydrophobicContact CE1-CD2 4.22Å; F76-Y87 AromaticContact CE1-CE1 3.98Å; F76-Y87 HydrophobicContact CE1-CE1 3.98Å; F76-Y87 HydrophobicContact CE1-CE2 4.04Å; F76-Y87 HydrophobicContact CE1-CG 4.28Å; F76-Y87 AromaticContact CE1-CZ 3.92Å; G79-Y87 WeakPolarHBondContact CA-OH 3.37Å; G79-Y87 PolarHBondContact O-OH 2.92Å; G80-Y87 VanDerWaalsContact O-CE2 3.29Å; G80-Y87 WeakPolarHBondContact O-CE2 3.33Å; G80-Y87 PolarHBondContact O-OH 2.9Å; P82-Y87 HydrophobicContact CG-CD2 3.96Å; P82-Y87 HydrophobicContact CG-CE2 4.12Å; S85-Y87 VanDerWaalsContact O-CD2 3.23Å; S85-Y87 WeakPolarHBondContact O-CD2 3.23Å; S85-Y87 WeakPolarHBondContact O-CE2 3.37Å; Y87-F89 AromaticContact CD1-CE2 3.89Å; Y87-F89 HydrophobicContact CD1-CE2 3.89Å; Y87-F89 HydrophobicContact CD1-CZ 4.26Å; Y87-F89 HydrophobicContact CG-CE2 4.1Å; Y87-N117 PolarHBondContact N-O 3.35Å; Y87-F118 HydrophobicContact CD2-CD2 4.27Å; Y87-F118 HydrophobicContact CD2-CE2 4.21Å; Y87-F118 HydrophobicContact CG-CD2 4.32Å; Y87-F118 HydrophobicContact CG-CE2 4.08Å; Y87-F119 WeakPolarHBondContact O-CD2 3.35Å; Y87-F119 PolarHBondContact O-N 3.18Å
88L98.9Very high98Very high0 Ų038.4 Ų38.40%019%0.189CC..EExtended strand (participates in β ladder)trans-121.9120.1163.1173.966.6000108.5L55 L59 K60 I61 C62 L90 F119 L121 A163 C171L55-L88 HydrophobicContact CD1-CB 4.46Å; L55-L88 HydrophobicContact CD1-CD1 3.98Å; L55-L88 HydrophobicContact CD1-CD2 4.13Å; L55-L88 HydrophobicContact CD1-CG 4.42Å; L59-L88 HydrophobicContact CD1-CB 3.71Å; L59-L88 HydrophobicContact CD1-CD2 4.4Å; K60-L88 PolarHBondContact O-N 3.46Å; I61-L88 CarbonylContact C-O 3.2Å; I61-L88 VanDerWaalsContact CA-O 3.25Å; I61-L88 WeakPolarHBondContact CA-O 3.4Å; I61-L88 HydrophobicContact CD1-CD2 4.33Å; I61-L88 HydrophobicContact CG1-CB 4.31Å; I61-L88 HydrophobicContact CG1-CD2 4.33Å; I61-L88 HydrophobicContact CG2-CD2 4.27Å; I61-L88 HydrophobicContact CG2-CG 4.41Å; C62-L88 PolarHBondContact N-O 2.91Å; L88-L90 HydrophobicContact CD2-CD2 4.3Å; L88-L90 HydrophobicContact CG-CD2 4.38Å; L88-F119 WeakPolarHBondContact CA-O 3.31Å; L88-F119 HydrophobicContact CD1-CB 3.72Å; L88-L121 HydrophobicContact CD1-CD1 4.26Å; L88-L121 HydrophobicContact CD1-CD2 4.1Å; L88-L121 HydrophobicContact CD1-CG 3.8Å; L88-A163 HydrophobicContact CD1-CB 4.27Å; L88-A163 HydrophobicContact CD2-CB 3.99Å; L88-C171 HydrophobicContact CD2-CB 3.83Å
89F98.9Very high98.1Very high0 Ų032.2 Ų32.20%017%0.165CC..EExtended strand (participates in β ladder)trans-100.6142.1169.4-69-108.6000111C62 I65 L72 F76 Y87 Y93 L107 F118 F119 L120 L121C62-F89 HydrophobicContact CB-CD1 3.56Å; C62-F89 HydrophobicContact CB-CE1 3.6Å; C62-F89 HydrophobicContact CB-CG 4.09Å; C62-F89 HydrophobicContact CB-CZ 4.14Å; C62-F89 CarbonylContact O-C 3.26Å; C62-F89 WeakPolarHBondContact O-CA 3.46Å; I65-F89 HydrophobicContact CD1-CD1 4.35Å; I65-F89 HydrophobicContact CD1-CE1 3.98Å; I65-F89 HydrophobicContact CG1-CD1 4.05Å; I65-F89 HydrophobicContact CG1-CE1 4.02Å; L72-F89 HydrophobicContact CD1-CE1 3.68Å; L72-F89 HydrophobicContact CD1-CZ 3.78Å; F76-F89 HydrophobicContact CE1-CE2 4.11Å; F76-F89 AromaticContact CE1-CZ 3.82Å; F76-F89 HydrophobicContact CE1-CZ 3.82Å; F76-F89 HydrophobicContact CZ-CE2 4.09Å; F76-F89 AromaticContact CZ-CZ 3.7Å; F76-F89 HydrophobicContact CZ-CZ 3.7Å; Y87-F89 AromaticContact CD1-CE2 3.89Å; Y87-F89 HydrophobicContact CD1-CE2 3.89Å; Y87-F89 HydrophobicContact CD1-CZ 4.26Å; Y87-F89 HydrophobicContact CG-CE2 4.1Å; F89-Y93 HydrophobicContact CB-CE1 3.64Å; F89-Y93 HydrophobicContact CD1-CE1 4.45Å; F89-Y93 HydrophobicContact CG-CE1 4.31Å; F89-Y93 PolarHBondContact O-OH 2.75Å; F89-L107 HydrophobicContact CD1-CD2 4.43Å; F89-L107 HydrophobicContact CD2-CD2 4.32Å; F89-L107 HydrophobicContact CE1-CD2 4.13Å; F89-L107 HydrophobicContact CE2-CD2 4.02Å; F89-L107 HydrophobicContact CZ-CD2 3.93Å; F89-F118 HydrophobicContact CD2-CE1 4.5Å; F89-F118 HydrophobicContact CD2-CE2 4.42Å; F89-F118 AromaticContact CD2-CZ 3.94Å; F89-F118 HydrophobicContact CD2-CZ 3.94Å; F89-F118 HydrophobicContact CE2-CE1 4.47Å; F89-F118 AromaticContact CE2-CE2 3.77Å; F89-F118 HydrophobicContact CE2-CE2 3.77Å; F89-F118 AromaticContact CE2-CZ 3.52Å; F89-F118 HydrophobicContact CE2-CZ 3.52Å; F89-F118 HydrophobicContact CZ-CZ 4.41Å; F89-F119 PolarHBondContact N-O 3.4Å; F89-L120 HydrophobicContact CB-CD2 3.78Å; F89-L120 HydrophobicContact CD2-CD2 3.88Å; F89-L120 HydrophobicContact CG-CD2 4Å; F89-L121 WeakPolarHBondContact O-CB 3.45Å; F89-L121 PolarHBondContact O-N 3.49Å
90L98.9Very high98.2Very high0 Ų032 Ų320%016%0.163CC..  trans-92.712.6-173.1-59.3177.9000113.8I61 C62 L88 L121 C171 H173 A247 L266I61-L90 HydrophobicContact CG2-CD1 3.84Å; I61-L90 HydrophobicContact CG2-CD2 3.81Å; I61-L90 HydrophobicContact CG2-CG 3.77Å; C62-L90 WeakPolarHBondContact O-CB 3.33Å; C62-L90 WeakPolarHBondContact O-CG 2.97Å; C62-L90 PolarHBondContact O-N 2.78Å; L88-L90 HydrophobicContact CD2-CD2 4.3Å; L88-L90 HydrophobicContact CG-CD2 4.38Å; L90-L121 HydrophobicContact CD2-CD1 3.84Å; L90-C171 HydrophobicContact CD2-CB 3.92Å; L90-H173 WeakPolarHBondContact O-CA 3.17Å; L90-H173 WeakPolarHBondContact O-CB 3.37Å; L90-H173 VanDerWaalsContact O-CG 3.28Å; L90-H173 PolarHBondContact O-ND1 3.28Å; L90-A247 HydrophobicContact CB-CB 3.73Å; L90-A247 HydrophobicContact CD1-CB 3.95Å; L90-L266 HydrophobicContact CD1-CB 4.45Å; L90-L266 HydrophobicContact CD1-CD1 4.33Å
91G98.8Very high98.3Very high0 Ų031.4 Ų31.40%016%0.156CC..SBendtrans103.5-171.9-179.800000114.6Y93G91-Y93 PolarHBondContact N-OH 3.44Å
92D98.9Very high98.3Very high2 Ų230.3 Ų30.31%0.01115%0.151CC..  trans57.160.5178-82.218.8000112.8D64 I65 H66 G123 N124 H125 E126 H173D64-D92 HydrophobicContact CB-CB 3.99Å; I65-D92 PolarHBondContact N-O 3.27Å; H66-D92 IonicContact CE1-OD2 2.73Å; H66-D92 PolarHBondContact CE1-OD2 2.81Å; H66-D92 PolarHBondContact N-O 2.93Å; H66-D92 IonicContact NE2-OD2 3.62Å; H66-D92 PolarHBondContact NE2-OD2 2.65Å; D92-G123 WeakPolarHBondContact OD1-CA 3.4Å; D92-N124 PolarHBondContact OD1-N 3.37Å; D92-N124 PolarHBondContact OD1-OD1 3.16Å; D92-N124 PolarHBondContact OD2-OD1 2.88Å; D92-H125 WeakPolarHBondContact OD1-CB 3.24Å; D92-H125 IonicContact OD1-CD2 3.56Å; D92-H125 IonicContact OD1-CG 3.72Å; D92-H125 PolarHBondContact OD1-N 3.5Å; D92-H125 IonicContact OD2-CD2 3.71Å; D92-H125 PolarHBondContact OD2-CD2 2.84Å; D92-H125 IonicContact OD2-CG 2.83Å; D92-H125 IonicContact OD2-NE2 3.82Å; D92-E126 PolarHBondContact N-OE2 2.91Å; D92-H173 IonicContact OD1-CE1 2.73Å; D92-H173 IonicContact OD1-NE2 3.67Å; D92-H173 PolarHBondContact OD1-NE2 2.67Å; D92-H173 IonicContact OD2-CE1 3.65Å; D92-H173 PolarHBondContact OD2-CE1 2.82Å; D92-H173 IonicContact OD2-NE2 3.49Å; D92-H173 PolarHBondContact OD2-NE2 3.28Å
93Y98.9Very high98.3Very high0 Ų029.9 Ų29.90%015%0.149CC..  trans-84-32.7-178.9-48.8-55.8000112.4G67 F89 G91 T103 I104 L107 L120 L121 E126 L159G67-Y93 PolarHBondContact N-O 2.99Å; F89-Y93 HydrophobicContact CB-CE1 3.64Å; F89-Y93 HydrophobicContact CD1-CE1 4.45Å; F89-Y93 HydrophobicContact CG-CE1 4.31Å; F89-Y93 PolarHBondContact O-OH 2.75Å; G91-Y93 PolarHBondContact N-OH 3.44Å; Y93-T103 WeakPolarHBondContact O-CG2 3.33Å; Y93-I104 HydrophobicContact CD2-CD1 3.79Å; Y93-I104 HydrophobicContact CG-CD1 4.03Å; Y93-L107 HydrophobicContact CD1-CD1 3.28Å; Y93-L107 HydrophobicContact CE1-CD1 3.85Å; Y93-L107 HydrophobicContact CG-CD1 3.78Å; Y93-L120 HydrophobicContact CE1-CD2 3.96Å; Y93-L120 HydrophobicContact CE2-CB 4.49Å; Y93-L120 WeakPolarHBondContact OH-CA 3.41Å; Y93-L120 WeakPolarHBondContact OH-CB 3.39Å; Y93-L121 WeakPolarHBondContact CE2-O 3.28Å; Y93-L121 VanDerWaalsContact CZ-O 3.29Å; Y93-L121 PolarHBondContact OH-N 2.9Å; Y93-L121 VanDerWaalsContact OH-N 3.14Å; Y93-L121 PolarHBondContact OH-O 2.85Å; Y93-E126 HydrophobicContact CD2-CG 3.71Å; Y93-E126 WeakPolarHBondContact CD2-OE1 3.45Å; Y93-E126 HydrophobicContact CE2-CG 4.09Å; Y93-E126 PolarHBondContact N-OE1 3.33Å; Y93-L159 HydrophobicContact CE2-CD1 4.28Å
94V98.9Very high98.4Very high0 Ų026.5 Ų26.50%013%0.127CC..SBendtrans-113.1178.6-170.6-580000111.9H66 I104 H125 N131 F136 F156H66-V94 PolarHBondContact ND1-O 3.41Å; V94-I104 HydrophobicContact CG1-CB 4.1Å; V94-I104 HydrophobicContact CG1-CG2 4.31Å; V94-H125 HydrophobicContact CG2-CB 4.44Å; V94-N131 HydrophobicContact CG2-CB 4.2Å; V94-F136 HydrophobicContact CB-CB 4.03Å; V94-F136 HydrophobicContact CB-CD1 4.3Å; V94-F136 HydrophobicContact CB-CD2 3.84Å; V94-F136 HydrophobicContact CB-CE2 4.35Å; V94-F136 HydrophobicContact CB-CG 3.8Å; V94-F136 HydrophobicContact CG1-CD1 4.3Å; V94-F136 HydrophobicContact CG1-CD2 3.79Å; V94-F136 HydrophobicContact CG1-CE1 4.29Å; V94-F136 HydrophobicContact CG1-CE2 3.76Å; V94-F136 HydrophobicContact CG1-CG 4.06Å; V94-F136 HydrophobicContact CG1-CZ 4.02Å; V94-F136 HydrophobicContact CG2-CB 4.1Å; V94-F136 HydrophobicContact CG2-CD1 4.15Å; V94-F136 HydrophobicContact CG2-CG 4.03Å; V94-F156 HydrophobicContact CG1-CZ 4.06Å; V94-F156 HydrophobicContact CG2-CE2 4.41Å
95D98.6Very high98.4Very high0 Ų019.6 Ų19.60%09%0.094CC..SBendtrans67.8166-177.3-64.5-39.5000114.8H66 G97 S100 H125 N131 Y134 G135 F136H66-D95 CarbonylContact C-O 3.58Å; H66-D95 WeakPolarHBondContact CA-O 3.48Å; H66-D95 WeakPolarHBondContact CB-O 3.37Å; H66-D95 VanDerWaalsContact O-O 3.08Å; D95-G97 PolarHBondContact O-N 3.03Å; D95-S100 PolarHBondContact N-OG 3.44Å; D95-S100 VanDerWaalsContact N-OG 3.07Å; D95-H125 VanDerWaalsContact CB-ND1 3.34Å; D95-H125 WeakPolarHBondContact CB-ND1 3.18Å; D95-H125 IonicContact OD2-CE1 3.95Å; D95-H125 IonicContact OD2-CG 2.82Å; D95-H125 IonicContact OD2-ND1 2.89Å; D95-H125 PolarHBondContact OD2-ND1 3.39Å; D95-N131 WeakPolarHBondContact OD1-CA 3.41Å; D95-N131 WeakPolarHBondContact OD2-CA 3.21Å; D95-N131 WeakPolarHBondContact OD2-CB 3.36Å; D95-Y134 WeakPolarHBondContact CB-O 3.47Å; D95-Y134 VanDerWaalsContact OD1-C 3.23Å; D95-G135 PolarHBondContact OD1-N 2.93Å; D95-G135 VanDerWaalsContact OD1-N 3.11Å; D95-F136 WeakPolarHBondContact OD1-CB 3.15Å; D95-F136 PolarHBondContact OD1-N 3.24Å
96R96.6Very high98.4Very high119 Ų11918.3 Ų18.345%0.4499%0.085SC..SBendtrans66.3-50.4172.9-51.6-80.8-170.9174.42.1115H66 Y134 Y272H66-R96 HydrophobicContact CB-CB 4.34Å; R96-Y134 PolarHBondContact N-O 2.93Å; R96-Y272 HydrophobicContact CB-CE2 4.37Å; R96-Y272 WeakPolarHBondContact CG-OH 3.17Å
97G95.1Very high98.4Very high22 Ų2216.4 Ų16.423%0.2278%0.075CC..SBendtrans-78.1-178.9173.400000113.7H66 D95H66-G97 WeakPolarHBondContact O-CA 3.38Å; H66-G97 PolarHBondContact O-N 2.71Å; D95-G97 PolarHBondContact O-N 3.03Å
98K95.5Very high98.4Very high182 Ų18216.5 Ų16.579%0.7918%0.075SC*.SBendtrans-94.9-18.5-166.1-64.5177.9-178.3172.50114.4
99Q98.4Very high98.4Very high10 Ų1016.5 Ų16.55%0.0478%0.075CC..  trans-137.755.4-168.6-64-171.3-93.300110.4G25 K26 N27 G67 Y70 L101 E102 T103G25-Q99 VanDerWaalsContact CA-OE1 3.3Å; K26-Q99 PolarHBondContact O-NE2 2.59Å; N27-Q99 PolarHBondContact OD1-NE2 3.14Å; G67-Q99 CarbonylContact O-C 3.59Å; G67-Q99 PolarHBondContact O-N 3.13Å; G67-Q99 VanDerWaalsContact O-N 3.09Å; Y70-Q99 VanDerWaalsContact CE2-OE1 3.22Å; Q99-L101 VanDerWaalsContact C-N 3.28Å; Q99-L101 PolarHBondContact O-N 3.27Å; Q99-E102 HydrophobicContact CB-CB 4.46Å; Q99-E102 WeakPolarHBondContact CB-OE2 3.49Å; Q99-T103 WeakPolarHBondContact O-CB 3.41Å; Q99-T103 PolarHBondContact O-N 3.07Å; Q99-T103 PolarHBondContact O-OG1 3.16Å
100S98.8Very high98.4Very high1 Ų116.7 Ų16.71%0.0078%0.076CC..Hα-helixtrans-64.4-37178.1-58.10000111D95 T103 I104 E139D95-S100 PolarHBondContact N-OG 3.44Å; D95-S100 VanDerWaalsContact N-OG 3.07Å; S100-T103 WeakPolarHBondContact O-CB 3.46Å; S100-T103 PolarHBondContact O-N 3.43Å; S100-I104 VanDerWaalsContact O-CG2 3.3Å; S100-I104 WeakPolarHBondContact O-CG2 3.45Å; S100-I104 PolarHBondContact O-N 3.21Å; S100-E139 WeakPolarHBondContact CB-OE2 3.42Å; S100-E139 PolarHBondContact N-OE2 3.41Å; S100-E139 PolarHBondContact OG-OE2 3.2Å
101L98.9Very high98.4Very high3 Ų316.7 Ų16.72%0.0168%0.076CC..Hα-helixtrans-63.1-48.6179.7-76.5165.4000112.4Q99 T103 C105 F136 E139 R143 Y144 F152Q99-L101 VanDerWaalsContact C-N 3.28Å; Q99-L101 PolarHBondContact O-N 3.27Å; L101-T103 VanDerWaalsContact C-N 3.31Å; L101-T103 PolarHBondContact O-N 3.02Å; L101-C105 WeakPolarHBondContact O-CB 3.29Å; L101-C105 PolarHBondContact O-N 3.01Å; L101-C105 PolarHBondContact O-SG 3.19Å; L101-F136 HydrophobicContact CD2-CE2 3.92Å; L101-F136 HydrophobicContact CD2-CZ 4.33Å; L101-F136 HydrophobicContact CG-CE2 4.16Å; L101-E139 WeakPolarHBondContact CB-OE1 3.38Å; L101-E139 HydrophobicContact CD1-CG 3.82Å; L101-E139 HydrophobicContact CG-CG 4.26Å; L101-E139 PolarHBondContact N-OE1 3.03Å; L101-R143 HydrophobicContact CD1-CB 4.08Å; L101-R143 HydrophobicContact CD1-CG 4.49Å; L101-Y144 HydrophobicContact CD1-CD2 3.85Å; L101-Y144 HydrophobicContact CD1-CE2 3.81Å; L101-F152 HydrophobicContact CD2-CE2 3.54Å; L101-F152 HydrophobicContact CD2-CZ 3.83Å
102E98.9Very high98.4Very high3 Ų318 Ų181%0.0148%0.083CC..Hα-helixtrans-61.4-42.8176.3-73.382.1175.300111.7L16 N27 V28 Y69 Q99 C105 L106 R143L16-E102 HydrophobicContact CD2-CB 4.38Å; L16-E102 HydrophobicContact CD2-CG 4.4Å; N27-E102 VanDerWaalsContact CA-OE1 3.23Å; N27-E102 WeakPolarHBondContact CA-OE1 3.44Å; N27-E102 WeakPolarHBondContact CB-OE1 3.5Å; V28-E102 HydrophobicContact CB-CG 3.95Å; V28-E102 HydrophobicContact CG2-CG 4.07Å; V28-E102 PolarHBondContact N-OE1 3.3Å; Y69-E102 HydrophobicContact CD1-CB 3.61Å; Y69-E102 HydrophobicContact CD1-CG 4.14Å; Y69-E102 HydrophobicContact CD2-CB 3.64Å; Y69-E102 HydrophobicContact CE1-CB 3.77Å; Y69-E102 HydrophobicContact CE1-CG 4.15Å; Y69-E102 HydrophobicContact CE2-CB 3.8Å; Y69-E102 WeakPolarHBondContact CE2-O 3.47Å; Y69-E102 HydrophobicContact CG-CB 3.54Å; Q99-E102 HydrophobicContact CB-CB 4.46Å; Q99-E102 WeakPolarHBondContact CB-OE2 3.49Å; E102-C105 PolarHBondContact O-N 2.77Å; E102-L106 WeakPolarHBondContact O-CB 3.19Å; E102-L106 PolarHBondContact O-N 3.36Å; E102-R143 VanDerWaalsContact CD-NH1 3.29Å; E102-R143 IonicContact OE1-CZ 3.49Å; E102-R143 IonicContact OE1-NH1 3.57Å; E102-R143 PolarHBondContact OE1-NH1 3.34Å; E102-R143 VanDerWaalsContact OE1-NH1 3.13Å; E102-R143 IonicContact OE1-NH2 3.46Å; E102-R143 PolarHBondContact OE1-NH2 3.42Å; E102-R143 IonicContact OE2-CZ 3.99Å; E102-R143 IonicContact OE2-NH1 3.06Å; E102-R143 PolarHBondContact OE2-NH1 3.21Å; E102-R143 IonicContact OE2-NH2 2.87Å
103T98.9Very high98.4Very high0 Ų021.6 Ų21.60%010%0.098CC..Hα-helixtrans-56.6-60178.8-59.10000110.7I65 G67 Y69 L72 Y93 Q99 S100 L101 C105 L106 L107I65-T103 HydrophobicContact CB-CG2 4.26Å; I65-T103 HydrophobicContact CG2-CG2 3.53Å; G67-T103 WeakPolarHBondContact CA-OG1 3.31Å; Y69-T103 WeakPolarHBondContact CA-OG1 3.39Å; Y69-T103 WeakPolarHBondContact CB-OG1 3.22Å; L72-T103 HydrophobicContact CD2-CG2 3.98Å; Y93-T103 WeakPolarHBondContact O-CG2 3.33Å; Q99-T103 WeakPolarHBondContact O-CB 3.41Å; Q99-T103 PolarHBondContact O-N 3.07Å; Q99-T103 PolarHBondContact O-OG1 3.16Å; S100-T103 WeakPolarHBondContact O-CB 3.46Å; S100-T103 PolarHBondContact O-N 3.43Å; L101-T103 VanDerWaalsContact C-N 3.31Å; L101-T103 PolarHBondContact O-N 3.02Å; T103-C105 VanDerWaalsContact C-N 3.34Å; T103-C105 PolarHBondContact O-N 3Å; T103-L106 PolarHBondContact O-N 3.47Å; T103-L107 HydrophobicContact CG2-CD1 4.22Å; T103-L107 VanDerWaalsContact O-CG 3.31Å; T103-L107 WeakPolarHBondContact O-CG 3.26Å; T103-L107 PolarHBondContact O-N 2.73Å; T103-L107 VanDerWaalsContact O-N 3.16Å
104I98.9Very high98.4Very high1 Ų124 Ų241%0.00511%0.108CC..Hα-helixtrans-67.7-34.8-177.7-167.858.2000112.2Y93 V94 S100 L106 L107 L108 F136 F152 F156Y93-I104 HydrophobicContact CD2-CD1 3.79Å; Y93-I104 HydrophobicContact CG-CD1 4.03Å; V94-I104 HydrophobicContact CG1-CB 4.1Å; V94-I104 HydrophobicContact CG1-CG2 4.31Å; S100-I104 VanDerWaalsContact O-CG2 3.3Å; S100-I104 WeakPolarHBondContact O-CG2 3.45Å; S100-I104 PolarHBondContact O-N 3.21Å; I104-L106 VanDerWaalsContact C-N 3.35Å; I104-L106 PolarHBondContact O-N 3.48Å; I104-L107 PolarHBondContact O-N 2.68Å; I104-L108 HydrophobicContact CD1-CD2 4.25Å; I104-L108 HydrophobicContact CD1-CG 4.1Å; I104-L108 HydrophobicContact CG1-CD1 4.1Å; I104-L108 HydrophobicContact CG1-CG 4.07Å; I104-L108 WeakPolarHBondContact O-CB 3.09Å; I104-L108 VanDerWaalsContact O-CG 3.26Å; I104-L108 WeakPolarHBondContact O-CG 3.43Å; I104-L108 PolarHBondContact O-N 2.81Å; I104-F136 HydrophobicContact CG2-CE2 4.29Å; I104-F136 HydrophobicContact CG2-CZ 4.23Å; I104-F152 HydrophobicContact CG1-CD1 4.48Å; I104-F152 HydrophobicContact CG1-CE1 4.22Å; I104-F152 HydrophobicContact CG2-CD1 4.27Å; I104-F152 HydrophobicContact CG2-CE1 3.53Å; I104-F152 HydrophobicContact CG2-CZ 3.91Å; I104-F156 HydrophobicContact CD1-CE1 3.84Å; I104-F156 HydrophobicContact CD1-CZ 4.42Å; I104-F156 HydrophobicContact CG1-CE1 3.76Å; I104-F156 HydrophobicContact CG1-CZ 4.03Å
105C98.9Very high98.4Very high2 Ų226 Ų261%0.01412%0.121CC..Hα-helixtrans-63.1-40.9177.6-71.50000112L16 L30 L38 L101 E102 T103 A109L16-C105 HydrophobicContact CD1-CB 4.19Å; L16-C105 HydrophobicContact CD2-CB 4.38Å; L30-C105 HydrophobicContact CD1-CB 3.88Å; L38-C105 HydrophobicContact CD1-CB 3.84Å; L101-C105 WeakPolarHBondContact O-CB 3.29Å; L101-C105 PolarHBondContact O-N 3.01Å; L101-C105 PolarHBondContact O-SG 3.19Å; E102-C105 PolarHBondContact O-N 2.77Å; T103-C105 VanDerWaalsContact C-N 3.34Å; T103-C105 PolarHBondContact O-N 3Å; C105-A109 VanDerWaalsContact O-CB 3.23Å; C105-A109 WeakPolarHBondContact O-CB 3.47Å; C105-A109 PolarHBondContact O-N 2.94Å
106L98.9Very high98.4Very high0 Ų032 Ų320%015%0.149CC..Hα-helixtrans-66.6-44.7177-177.160.5000111.6L16 L17 Y69 L72 L73 F76 E102 T103 I104 L108 A109 Y110L16-L106 HydrophobicContact CB-CD1 4.04Å; L16-L106 HydrophobicContact CD1-CB 4.08Å; L16-L106 HydrophobicContact CD1-CD1 4.16Å; L17-L106 HydrophobicContact CD2-CD1 4.11Å; L17-L106 HydrophobicContact CD2-CD2 4.03Å; Y69-L106 HydrophobicContact CE2-CB 4.05Å; Y69-L106 HydrophobicContact CE2-CD2 3.75Å; L72-L106 HydrophobicContact CD2-CD2 4.37Å; L73-L106 HydrophobicContact CD2-CD2 3.83Å; F76-L106 HydrophobicContact CD2-CD2 4.42Å; F76-L106 HydrophobicContact CE2-CD2 4.1Å; E102-L106 WeakPolarHBondContact O-CB 3.19Å; E102-L106 PolarHBondContact O-N 3.36Å; T103-L106 PolarHBondContact O-N 3.47Å; I104-L106 VanDerWaalsContact C-N 3.35Å; I104-L106 PolarHBondContact O-N 3.48Å; L106-L108 PolarHBondContact O-N 3.23Å; L106-A109 PolarHBondContact O-N 3.42Å; L106-Y110 HydrophobicContact CD1-CD2 3.92Å; L106-Y110 HydrophobicContact CD1-CE2 3.46Å; L106-Y110 VanDerWaalsContact CD1-CE2 3.46Å; L106-Y110 HydrophobicContact CD2-CE2 4.06Å; L106-Y110 HydrophobicContact CG-CD2 3.89Å; L106-Y110 HydrophobicContact CG-CE2 3.62Å; L106-Y110 WeakPolarHBondContact O-CD2 3.5Å; L106-Y110 PolarHBondContact O-N 3.09Å
107L98.9Very high98.5Very high0 Ų029.3 Ų29.30%014%0.143CC..Hα-helixtrans-61.1-45.4177.6-64.5176.5000111.7L72 F76 F89 Y93 T103 I104 Y110 K111 F118 L120L72-L107 HydrophobicContact CD1-CD2 4.23Å; L72-L107 HydrophobicContact CD2-CD2 3.96Å; L72-L107 HydrophobicContact CD2-CG 4.11Å; F76-L107 HydrophobicContact CZ-CD2 4.22Å; F89-L107 HydrophobicContact CD1-CD2 4.43Å; F89-L107 HydrophobicContact CD2-CD2 4.32Å; F89-L107 HydrophobicContact CE1-CD2 4.13Å; F89-L107 HydrophobicContact CE2-CD2 4.02Å; F89-L107 HydrophobicContact CZ-CD2 3.93Å; Y93-L107 HydrophobicContact CD1-CD1 3.28Å; Y93-L107 HydrophobicContact CE1-CD1 3.85Å; Y93-L107 HydrophobicContact CG-CD1 3.78Å; T103-L107 HydrophobicContact CG2-CD1 4.22Å; T103-L107 VanDerWaalsContact O-CG 3.31Å; T103-L107 WeakPolarHBondContact O-CG 3.26Å; T103-L107 PolarHBondContact O-N 2.73Å; T103-L107 VanDerWaalsContact O-N 3.16Å; I104-L107 PolarHBondContact O-N 2.68Å; L107-Y110 PolarHBondContact O-N 3.03Å; L107-K111 PolarHBondContact O-N 2.89Å; L107-F118 HydrophobicContact CB-CE1 4.36Å; L107-F118 HydrophobicContact CD2-CE1 4.05Å; L107-F118 HydrophobicContact CD2-CZ 3.62Å; L107-F118 WeakPolarHBondContact O-CE1 3.27Å; L107-L120 HydrophobicContact CB-CD1 3.9Å; L107-L120 HydrophobicContact CB-CD2 4.12Å; L107-L120 HydrophobicContact CD1-CD2 4.35Å; L107-L120 HydrophobicContact CD2-CD2 4.26Å; L107-L120 HydrophobicContact CG-CD2 4.47Å
108L98.9Very high98.6Very high1 Ų128.2 Ų28.21%0.00513%0.133CC..Hα-helixtrans-66.6-37.8176.3-64.4-176.6000112.1L38 F46 I104 L106 K111 I112 L120 F152L38-L108 HydrophobicContact CB-CB 4.33Å; F46-L108 HydrophobicContact CE2-CD2 3.88Å; F46-L108 HydrophobicContact CZ-CD2 3.86Å; I104-L108 HydrophobicContact CD1-CD2 4.25Å; I104-L108 HydrophobicContact CD1-CG 4.1Å; I104-L108 HydrophobicContact CG1-CD1 4.1Å; I104-L108 HydrophobicContact CG1-CG 4.07Å; I104-L108 WeakPolarHBondContact O-CB 3.09Å; I104-L108 VanDerWaalsContact O-CG 3.26Å; I104-L108 WeakPolarHBondContact O-CG 3.43Å; I104-L108 PolarHBondContact O-N 2.81Å; L106-L108 PolarHBondContact O-N 3.23Å; L108-K111 PolarHBondContact O-N 3.24Å; L108-I112 WeakPolarHBondContact O-CD1 3.49Å; L108-I112 VanDerWaalsContact O-CG1 3.27Å; L108-I112 WeakPolarHBondContact O-CG1 3.48Å; L108-I112 PolarHBondContact O-N 3.01Å; L108-L120 HydrophobicContact CD2-CD1 4.21Å; L108-F152 HydrophobicContact CD1-CE1 4.24Å
109A98.9Very high98.8Very high0 Ų020.5 Ų20.50%010%0.099CC..Hα-helixtrans-63.5-42.4176.100000111.5I12 I13 L38 C105 L106 I112 K113I12-A109 HydrophobicContact CG2-CB 4.42Å; I13-A109 HydrophobicContact CD1-CB 4.23Å; I13-A109 HydrophobicContact CG1-CB 3.67Å; L38-A109 HydrophobicContact CD2-CB 3.84Å; C105-A109 VanDerWaalsContact O-CB 3.23Å; C105-A109 WeakPolarHBondContact O-CB 3.47Å; C105-A109 PolarHBondContact O-N 2.94Å; L106-A109 PolarHBondContact O-N 3.42Å; A109-I112 PolarHBondContact O-N 2.92Å; A109-K113 WeakPolarHBondContact O-CB 3.04Å; A109-K113 PolarHBondContact O-N 2.85Å
110Y98.9Very high98.8Very high4 Ų420 Ų202%0.01610%0.097CC..Hα-helixtrans-66-37.9172.7-76.8-45.4000112.9I13 L17 F76 F81 P82 L106 L107 I112 K113 Y114 F118I13-Y110 HydrophobicContact CD1-CD1 4.09Å; I13-Y110 HydrophobicContact CD1-CE1 4.21Å; I13-Y110 HydrophobicContact CG2-CE1 4.05Å; L17-Y110 WeakPolarHBondContact CD1-OH 3.45Å; F76-Y110 HydrophobicContact CD2-CE2 4.34Å; F76-Y110 HydrophobicContact CE2-CD2 4.28Å; F76-Y110 AromaticContact CE2-CE2 3.91Å; F76-Y110 HydrophobicContact CE2-CE2 3.91Å; F76-Y110 HydrophobicContact CZ-CD2 4.25Å; F76-Y110 HydrophobicContact CZ-CE2 4.24Å; F81-Y110 WeakPolarHBondContact CD1-OH 3.49Å; P82-Y110 HydrophobicContact CB-CD1 3.9Å; P82-Y110 HydrophobicContact CB-CE1 4.06Å; P82-Y110 HydrophobicContact CB-CG 4.25Å; P82-Y110 HydrophobicContact CG-CD1 4.12Å; P82-Y110 HydrophobicContact CG-CD2 4.05Å; P82-Y110 HydrophobicContact CG-CE1 4.22Å; P82-Y110 HydrophobicContact CG-CE2 4.14Å; P82-Y110 HydrophobicContact CG-CG 4.05Å; L106-Y110 HydrophobicContact CD1-CD2 3.92Å; L106-Y110 HydrophobicContact CD1-CE2 3.46Å; L106-Y110 VanDerWaalsContact CD1-CE2 3.46Å; L106-Y110 HydrophobicContact CD2-CE2 4.06Å; L106-Y110 HydrophobicContact CG-CD2 3.89Å; L106-Y110 HydrophobicContact CG-CE2 3.62Å; L106-Y110 WeakPolarHBondContact O-CD2 3.5Å; L106-Y110 PolarHBondContact O-N 3.09Å; L107-Y110 PolarHBondContact O-N 3.03Å; Y110-I112 VanDerWaalsContact C-N 3.27Å; Y110-I112 PolarHBondContact O-N 2.91Å; Y110-K113 PolarHBondContact O-N 2.9Å; Y110-Y114 AromaticContact CD1-CD2 3.89Å; Y110-Y114 HydrophobicContact CD1-CD2 3.89Å; Y110-Y114 AromaticContact CD1-CE2 3.72Å; Y110-Y114 HydrophobicContact CD1-CE2 3.72Å; Y110-Y114 HydrophobicContact CE1-CE2 4.07Å; Y110-Y114 PolarHBondContact O-N 3.19Å; Y110-F118 HydrophobicContact CD2-CE2 4.28Å; Y110-F118 HydrophobicContact CD2-CZ 4.27Å; Y110-F118 HydrophobicContact CG-CE2 4.44Å
111K98.9Very high98.8Very high1 Ų120 Ų200%0.00410%0.097CC..Hα-helixtrans-59-40.1173.2-178.758.6178.6170.90112.3I45 F46 L107 L108 P115 F118 L120I45-K111 HydrophobicContact CG2-CD 4.46Å; I45-K111 HydrophobicContact CG2-CG 4.5Å; F46-K111 HydrophobicContact CD1-CG 4.43Å; F46-K111 HydrophobicContact CE1-CD 3.99Å; F46-K111 HydrophobicContact CE1-CG 3.65Å; F46-K111 HydrophobicContact CZ-CG 3.92Å; L107-K111 PolarHBondContact O-N 2.89Å; L108-K111 PolarHBondContact O-N 3.24Å; K111-P115 PolarHBondContact NZ-O 2.93Å; K111-P115 VanDerWaalsContact O-CA 3.23Å; K111-P115 WeakPolarHBondContact O-CA 3.44Å; K111-F118 HydrophobicContact CB-CD1 4.34Å; K111-F118 WeakPolarHBondContact CD-O 3.43Å; K111-F118 PolarHBondContact NZ-O 2.98Å; K111-L120 HydrophobicContact CB-CD1 4.28Å
112I98.8Very high98.8Very high26 Ų2619.9 Ų19.913%0.13310%0.096CC..Hα-helixtrans-71.5-40.8177.8-64.3159.1000111.1L7 I9 L38 K41 I45 L108 A109 Y110L7-I112 HydrophobicContact CD2-CD1 4.42Å; I9-I112 HydrophobicContact CD1-CB 4.09Å; I9-I112 HydrophobicContact CD1-CD1 3.83Å; I9-I112 HydrophobicContact CD1-CG2 3.8Å; I9-I112 HydrophobicContact CG1-CB 4.47Å; I9-I112 HydrophobicContact CG1-CG2 3.78Å; L38-I112 HydrophobicContact CB-CD1 4.41Å; L38-I112 HydrophobicContact CD2-CD1 3.8Å; K41-I112 HydrophobicContact CB-CD1 3.85Å; K41-I112 HydrophobicContact CB-CG1 4.16Å; K41-I112 HydrophobicContact CG-CD1 4.2Å; K41-I112 HydrophobicContact CG-CG1 4.05Å; K41-I112 HydrophobicContact CG-CG2 3.88Å; I45-I112 HydrophobicContact CD1-CB 4.25Å; I45-I112 HydrophobicContact CD1-CG1 4Å; I45-I112 HydrophobicContact CD1-CG2 4.46Å; L108-I112 WeakPolarHBondContact O-CD1 3.49Å; L108-I112 VanDerWaalsContact O-CG1 3.27Å; L108-I112 WeakPolarHBondContact O-CG1 3.48Å; L108-I112 PolarHBondContact O-N 3.01Å; A109-I112 PolarHBondContact O-N 2.92Å; Y110-I112 VanDerWaalsContact C-N 3.27Å; Y110-I112 PolarHBondContact O-N 2.91Å
113K98.6Very high98.8Very high78 Ų7819.8 Ų19.834%0.33910%0.095SC..Hα-helixtrans-71.8-37.3-177.4-173.166.6-178.6-171.80112.6I9 D10 I13 A109 Y110I9-K113 HydrophobicContact CG2-CB 3.98Å; I9-K113 HydrophobicContact CG2-CD 4.2Å; D10-K113 VanDerWaalsContact CG-NZ 3.29Å; D10-K113 WeakPolarHBondContact OD1-CD 3.48Å; D10-K113 WeakPolarHBondContact OD1-CE 3.33Å; D10-K113 IonicContact OD1-NZ 3.09Å; D10-K113 PolarHBondContact OD1-NZ 3.36Å; D10-K113 IonicContact OD2-NZ 2.84Å; D10-K113 PolarHBondContact OD2-NZ 2.94Å; D10-K113 VanDerWaalsContact OD2-NZ 3.09Å; I13-K113 HydrophobicContact CD1-CB 3.96Å; I13-K113 HydrophobicContact CD1-CG 4.16Å; A109-K113 WeakPolarHBondContact O-CB 3.04Å; A109-K113 PolarHBondContact O-N 2.85Å; Y110-K113 PolarHBondContact O-N 2.9Å
114Y98.8Very high98.8Very high52 Ų5220 Ų2020%0.20410%0.096CC..  trans-132.463.1-173.1-50-62.2000111.2P82 P83 Y110 E116 N117 F118P82-Y114 HydrophobicContact CB-CD2 3.63Å; P82-Y114 HydrophobicContact CB-CE2 3.75Å; P82-Y114 WeakPolarHBondContact O-CE2 3.43Å; P83-Y114 HydrophobicContact CB-CD1 3.88Å; P83-Y114 HydrophobicContact CB-CE1 3.82Å; P83-Y114 HydrophobicContact CB-CE2 4.48Å; P83-Y114 HydrophobicContact CB-CG 4.28Å; P83-Y114 WeakPolarHBondContact CD-OH 3.36Å; P83-Y114 HydrophobicContact CG-CD1 4.3Å; P83-Y114 HydrophobicContact CG-CE1 3.72Å; Y110-Y114 AromaticContact CD1-CD2 3.89Å; Y110-Y114 HydrophobicContact CD1-CD2 3.89Å; Y110-Y114 AromaticContact CD1-CE2 3.72Å; Y110-Y114 HydrophobicContact CD1-CE2 3.72Å; Y110-Y114 HydrophobicContact CE1-CE2 4.07Å; Y110-Y114 PolarHBondContact O-N 3.19Å; Y114-E116 PolarHBondContact O-N 2.81Å; Y114-E116 VanDerWaalsContact O-N 3.12Å; Y114-N117 PolarHBondContact O-N 2.85Å; Y114-N117 VanDerWaalsContact O-N 3.11Å; Y114-F118 WeakPolarHBondContact O-CB 3.23Å; Y114-F118 PolarHBondContact O-N 2.8Å
115P98.7Very high98.8Very high42 Ų4220.4 Ų20.427%0.27310%0.098SC..THydrogen-bonded Turntrans-61.4-26-170.124.3-34.4000114.3I45 Q49 K111I45-P115 HydrophobicContact CG2-CB 3.95Å; Q49-P115 PolarHBondContact NE2-O 2.8Å; K111-P115 PolarHBondContact NZ-O 2.93Å; K111-P115 VanDerWaalsContact O-CA 3.23Å; K111-P115 WeakPolarHBondContact O-CA 3.44Å
116E98.5Very high98.8Very high124 Ų12420.3 Ų20.358%0.57910%0.098SC*.THydrogen-bonded Turntrans-103.14.2-178.4-53.3-50.2131.200113.5Q49 Y114 F119Q49-E116 PolarHBondContact NE2-OE1 2.98Å; Y114-E116 PolarHBondContact O-N 2.81Å; Y114-E116 VanDerWaalsContact O-N 3.12Å; E116-F119 VanDerWaalsContact C-CZ 3.47Å; E116-F119 WeakPolarHBondContact O-CZ 3.25Å
117N98.6Very high98.8Very high63 Ų6320.4 Ų20.434%0.33710%0.098SC..THydrogen-bonded Turntrans-127.6-7.9178.9-57.694.2000112.6N86 Y87 Y114N86-N117 CarbonylContact C-O 3.13Å; N86-N117 WeakPolarHBondContact CA-O 3.03Å; N86-N117 VanDerWaalsContact OD1-CB 3.27Å; N86-N117 WeakPolarHBondContact OD1-CB 3.49Å; N86-N117 PolarHBondContact OD1-ND2 3.39Å; Y87-N117 PolarHBondContact N-O 3.35Å; Y114-N117 PolarHBondContact O-N 2.85Å; Y114-N117 VanDerWaalsContact O-N 3.11Å
118F98.9Very high98.7Very high0 Ų021.3 Ų21.30%011%0.106CC..EExtended strand (participates in β ladder)trans-134.3119.2-175.6-161.5-91.5000110.4F76 P82 Y87 F89 L107 Y110 K111 Y114 L120F76-F118 HydrophobicContact CE1-CE2 4.02Å; F76-F118 AromaticContact CZ-CE2 3.96Å; F76-F118 HydrophobicContact CZ-CE2 3.96Å; F76-F118 HydrophobicContact CZ-CZ 4.05Å; P82-F118 HydrophobicContact CB-CD2 4.23Å; P82-F118 HydrophobicContact CG-CD2 3.67Å; P82-F118 HydrophobicContact CG-CE2 3.69Å; Y87-F118 HydrophobicContact CD2-CD2 4.27Å; Y87-F118 HydrophobicContact CD2-CE2 4.21Å; Y87-F118 HydrophobicContact CG-CD2 4.32Å; Y87-F118 HydrophobicContact CG-CE2 4.08Å; F89-F118 HydrophobicContact CD2-CE1 4.5Å; F89-F118 HydrophobicContact CD2-CE2 4.42Å; F89-F118 AromaticContact CD2-CZ 3.94Å; F89-F118 HydrophobicContact CD2-CZ 3.94Å; F89-F118 HydrophobicContact CE2-CE1 4.47Å; F89-F118 AromaticContact CE2-CE2 3.77Å; F89-F118 HydrophobicContact CE2-CE2 3.77Å; F89-F118 AromaticContact CE2-CZ 3.52Å; F89-F118 HydrophobicContact CE2-CZ 3.52Å; F89-F118 HydrophobicContact CZ-CZ 4.41Å; L107-F118 HydrophobicContact CB-CE1 4.36Å; L107-F118 HydrophobicContact CD2-CE1 4.05Å; L107-F118 HydrophobicContact CD2-CZ 3.62Å; L107-F118 WeakPolarHBondContact O-CE1 3.27Å; Y110-F118 HydrophobicContact CD2-CE2 4.28Å; Y110-F118 HydrophobicContact CD2-CZ 4.27Å; Y110-F118 HydrophobicContact CG-CE2 4.44Å; K111-F118 HydrophobicContact CB-CD1 4.34Å; K111-F118 WeakPolarHBondContact CD-O 3.43Å; K111-F118 PolarHBondContact NZ-O 2.98Å; Y114-F118 WeakPolarHBondContact O-CB 3.23Å; Y114-F118 PolarHBondContact O-N 2.8Å; F118-L120 HydrophobicContact CD1-CD2 4.42Å; F118-L120 HydrophobicContact CD1-CG 4.34Å; F118-L120 HydrophobicContact CE1-CD1 4.29Å; F118-L120 HydrophobicContact CE1-CD2 3.7Å; F118-L120 HydrophobicContact CE1-CG 4.03Å; F118-L120 HydrophobicContact CZ-CD2 4.38Å
119F98.9Very high98.6Very high19 Ų1924.7 Ų24.78%0.08313%0.13CC..EExtended strand (participates in β ladder)trans-128.8140.9-170.2-55.8-82.4000110.9L53 L55 Y87 L88 F89 E116L53-F119 HydrophobicContact CD1-CB 4Å; L53-F119 HydrophobicContact CD1-CD1 3.9Å; L53-F119 HydrophobicContact CD1-CG 4.28Å; L55-F119 HydrophobicContact CD1-CB 4.33Å; L55-F119 HydrophobicContact CD1-CD2 4.04Å; L55-F119 HydrophobicContact CD1-CG 4.07Å; L55-F119 HydrophobicContact CD2-CD1 3.73Å; L55-F119 HydrophobicContact CD2-CD2 3.86Å; L55-F119 HydrophobicContact CD2-CE1 3.51Å; L55-F119 HydrophobicContact CD2-CE2 3.66Å; L55-F119 HydrophobicContact CD2-CG 3.89Å; L55-F119 HydrophobicContact CD2-CZ 3.47Å; L55-F119 VanDerWaalsContact CD2-CZ 3.47Å; Y87-F119 WeakPolarHBondContact O-CD2 3.35Å; Y87-F119 PolarHBondContact O-N 3.18Å; L88-F119 WeakPolarHBondContact CA-O 3.31Å; L88-F119 HydrophobicContact CD1-CB 3.72Å; F89-F119 PolarHBondContact N-O 3.4Å; E116-F119 VanDerWaalsContact C-CZ 3.47Å; E116-F119 WeakPolarHBondContact O-CZ 3.25Å
120L99Very high98.6Very high1 Ų125.7 Ų25.71%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-132.8115.1-175.5-63.5176.6000107.8F46 F89 Y93 L107 L108 K111 F118 L159 P160F46-L120 HydrophobicContact CE1-CB 4.29Å; F46-L120 HydrophobicContact CZ-CB 4.44Å; F46-L120 HydrophobicContact CZ-CD1 4.13Å; F89-L120 HydrophobicContact CB-CD2 3.78Å; F89-L120 HydrophobicContact CD2-CD2 3.88Å; F89-L120 HydrophobicContact CG-CD2 4Å; Y93-L120 HydrophobicContact CE1-CD2 3.96Å; Y93-L120 HydrophobicContact CE2-CB 4.49Å; Y93-L120 WeakPolarHBondContact OH-CA 3.41Å; Y93-L120 WeakPolarHBondContact OH-CB 3.39Å; L107-L120 HydrophobicContact CB-CD1 3.9Å; L107-L120 HydrophobicContact CB-CD2 4.12Å; L107-L120 HydrophobicContact CD1-CD2 4.35Å; L107-L120 HydrophobicContact CD2-CD2 4.26Å; L107-L120 HydrophobicContact CG-CD2 4.47Å; L108-L120 HydrophobicContact CD2-CD1 4.21Å; K111-L120 HydrophobicContact CB-CD1 4.28Å; F118-L120 HydrophobicContact CD1-CD2 4.42Å; F118-L120 HydrophobicContact CD1-CG 4.34Å; F118-L120 HydrophobicContact CE1-CD1 4.29Å; F118-L120 HydrophobicContact CE1-CD2 3.7Å; F118-L120 HydrophobicContact CE1-CG 4.03Å; F118-L120 HydrophobicContact CZ-CD2 4.38Å; L120-L159 HydrophobicContact CB-CD2 4.05Å; L120-P160 VanDerWaalsContact O-CD 3.28Å; L120-P160 WeakPolarHBondContact O-CD 3.33Å; L120-P160 WeakPolarHBondContact O-CG 3.38Å
121L98.9Very high98.6Very high0 Ų025.5 Ų25.50%013%0.134CC..  trans-83.5169.3169.8-59.1-172.8000111L53 L88 F89 L90 Y93 P160 A163 C171L53-L121 HydrophobicContact CD1-CD2 3.95Å; L88-L121 HydrophobicContact CD1-CD1 4.26Å; L88-L121 HydrophobicContact CD1-CD2 4.1Å; L88-L121 HydrophobicContact CD1-CG 3.8Å; F89-L121 WeakPolarHBondContact O-CB 3.45Å; F89-L121 PolarHBondContact O-N 3.49Å; L90-L121 HydrophobicContact CD2-CD1 3.84Å; Y93-L121 WeakPolarHBondContact CE2-O 3.28Å; Y93-L121 VanDerWaalsContact CZ-O 3.29Å; Y93-L121 PolarHBondContact OH-N 2.9Å; Y93-L121 VanDerWaalsContact OH-N 3.14Å; Y93-L121 PolarHBondContact OH-O 2.85Å; L121-P160 CarbonylContact C-O 3.59Å; L121-P160 WeakPolarHBondContact CA-O 3.26Å; L121-P160 HydrophobicContact CD2-CB 4.27Å; L121-P160 HydrophobicContact CD2-CG 4.1Å; L121-A163 HydrophobicContact CD1-CB 4.48Å; L121-A163 HydrophobicContact CD2-CB 4.28Å; L121-C171 HydrophobicContact CD1-CB 4.24Å
122R98.9Very high98.6Very high1 Ų130.2 Ų30.20%0.00415%0.152CC..  trans-90.3124.5175.1-160.3176.8-176.3172.14.8110.5E126 F156 N157 L159 P160 I161 H173 T193 L205R122-E126 HydrophobicContact CG-CB 3.86Å; R122-E126 PolarHBondContact NE-O 2.9Å; R122-E126 PolarHBondContact NH2-O 3.09Å; R122-F156 PolarHBondContact NE-O 3.37Å; R122-N157 PolarHBondContact NH2-OD1 3.48Å; R122-L159 HydrophobicContact CB-CB 3.71Å; R122-L159 HydrophobicContact CB-CD1 4.32Å; R122-L159 HydrophobicContact CG-CB 4.01Å; R122-L159 HydrophobicContact CG-CD1 4.11Å; R122-P160 PolarHBondContact N-O 2.91Å; R122-I161 HydrophobicContact CB-CG2 4.36Å; R122-H173 WeakPolarHBondContact O-CB 3.34Å; R122-T193 PolarHBondContact NH1-O 3Å; R122-L205 HydrophobicContact CB-CD2 4.45Å; R122-L205 HydrophobicContact CG-CD2 4.1Å
123G98.9Very high98.5Very high0 Ų034.1 Ų34.10%017%0.172CC..  trans-92.1174.2165.200000112.2D92 H125 E126 H173 L205D92-G123 WeakPolarHBondContact OD1-CA 3.4Å; G123-H125 PolarHBondContact O-N 2.62Å; G123-E126 VanDerWaalsContact CA-OE2 3.24Å; G123-E126 WeakPolarHBondContact CA-OE2 3.44Å; G123-E126 PolarHBondContact N-OE2 3.37Å; G123-E126 PolarHBondContact O-N 3.5Å; G123-H173 VanDerWaalsContact CA-CG 3.44Å; G123-L205 WeakPolarHBondContact O-CD2 3.28Å
124N98.8Very high98.5Very high4 Ų434.7 Ų34.72%0.02117%0.172CC..THydrogen-bonded Turntrans-71.7-19.5178.966.4-62.7000112.5D92 E126 C127 H173 L205 W206 H248D92-N124 PolarHBondContact OD1-N 3.37Å; D92-N124 PolarHBondContact OD1-OD1 3.16Å; D92-N124 PolarHBondContact OD2-OD1 2.88Å; N124-E126 VanDerWaalsContact C-N 3.34Å; N124-C127 PolarHBondContact O-SG 2.76Å; N124-H173 PolarHBondContact OD1-CD2 2.94Å; N124-H173 PolarHBondContact OD1-NE2 2.9Å; N124-L205 HydrophobicContact CB-CB 4.27Å; N124-W206 HydrophobicContact CB-CD2 3.88Å; N124-W206 VanDerWaalsContact CB-CE2 3.46Å; N124-W206 HydrophobicContact CB-CE3 4.45Å; N124-W206 HydrophobicContact CB-CG 4.33Å; N124-W206 HydrophobicContact CB-CH2 4.36Å; N124-W206 HydrophobicContact CB-CZ2 3.74Å; N124-W206 WeakPolarHBondContact ND2-CH2 3.44Å; N124-W206 WeakPolarHBondContact ND2-CZ2 3.38Å; N124-W206 WeakPolarHBondContact ND2-CZ3 3.14Å; N124-H248 PolarHBondContact OD1-CE1 3Å; N124-H248 VanDerWaalsContact OD1-CE1 3.26Å; N124-H248 PolarHBondContact OD1-ND1 2.75Å
125H98.8Very high98.4Very high10 Ų1033.4 Ų33.45%0.04618%0.175CC..THydrogen-bonded Turntrans-79.5-13.5173-77.5-101.2000113.8H66 D92 V94 D95 G123 C127 I130 N131 Y134H66-H125 AromaticContact CE1-CD2 3.61Å; H66-H125 AromaticContact CE1-CG 3.82Å; H66-H125 AromaticContact CE1-NE2 3.79Å; D92-H125 WeakPolarHBondContact OD1-CB 3.24Å; D92-H125 IonicContact OD1-CD2 3.56Å; D92-H125 IonicContact OD1-CG 3.72Å; D92-H125 PolarHBondContact OD1-N 3.5Å; D92-H125 IonicContact OD2-CD2 3.71Å; D92-H125 PolarHBondContact OD2-CD2 2.84Å; D92-H125 IonicContact OD2-CG 2.83Å; D92-H125 IonicContact OD2-NE2 3.82Å; V94-H125 HydrophobicContact CG2-CB 4.44Å; D95-H125 VanDerWaalsContact CB-ND1 3.34Å; D95-H125 WeakPolarHBondContact CB-ND1 3.18Å; D95-H125 IonicContact OD2-CE1 3.95Å; D95-H125 IonicContact OD2-CG 2.82Å; D95-H125 IonicContact OD2-ND1 2.89Å; D95-H125 PolarHBondContact OD2-ND1 3.39Å; G123-H125 PolarHBondContact O-N 2.62Å; H125-C127 PolarHBondContact O-N 2.91Å; H125-I130 HydrophobicContact CB-CG2 4.35Å; H125-I130 WeakPolarHBondContact ND1-CG2 3.47Å; H125-N131 WeakPolarHBondContact O-CB 3.33Å; H125-N131 PolarHBondContact O-ND2 3.17Å; H125-Y134 AromaticContact CE1-CD2 3.98Å
126E98.9Very high98.4Very high0 Ų031.4 Ų31.40%016%0.162CC..SBendtrans-8341.3171.2-7574.6-129.200112.3D92 Y93 R122 G123 N124 F156 L159D92-E126 PolarHBondContact N-OE2 2.91Å; Y93-E126 HydrophobicContact CD2-CG 3.71Å; Y93-E126 WeakPolarHBondContact CD2-OE1 3.45Å; Y93-E126 HydrophobicContact CE2-CG 4.09Å; Y93-E126 PolarHBondContact N-OE1 3.33Å; R122-E126 HydrophobicContact CG-CB 3.86Å; R122-E126 PolarHBondContact NE-O 2.9Å; R122-E126 PolarHBondContact NH2-O 3.09Å; G123-E126 VanDerWaalsContact CA-OE2 3.24Å; G123-E126 WeakPolarHBondContact CA-OE2 3.44Å; G123-E126 PolarHBondContact N-OE2 3.37Å; G123-E126 PolarHBondContact O-N 3.5Å; N124-E126 VanDerWaalsContact C-N 3.34Å; E126-F156 HydrophobicContact CB-CB 4.01Å; E126-F156 HydrophobicContact CB-CD1 4.28Å; E126-F156 HydrophobicContact CB-CD2 4.15Å; E126-F156 HydrophobicContact CB-CG 3.91Å; E126-F156 HydrophobicContact CG-CD1 3.91Å; E126-F156 HydrophobicContact CG-CD2 4.22Å; E126-F156 HydrophobicContact CG-CE1 4.07Å; E126-F156 HydrophobicContact CG-CE2 4.36Å; E126-F156 HydrophobicContact CG-CG 4Å; E126-F156 HydrophobicContact CG-CZ 4.3Å; E126-F156 WeakPolarHBondContact O-CB 3.25Å; E126-L159 HydrophobicContact CB-CD1 3.95Å; E126-L159 HydrophobicContact CG-CD1 3.83Å
127C97.4Very high98.5Very high2 Ų226.5 Ų26.51%0.01414%0.138CC..SBendtrans-136.6151.8170.881.90000111.6N124 H125 S129 I130 N131 V195N124-C127 PolarHBondContact O-SG 2.76Å; H125-C127 PolarHBondContact O-N 2.91Å; C127-S129 PolarHBondContact O-N 2.88Å; C127-S129 PolarHBondContact SG-OG 2.9Å; C127-S129 VanDerWaalsContact SG-OG 3.35Å; C127-I130 PolarHBondContact O-N 3.47Å; C127-I130 WeakPolarHBondContact SG-CG1 3.3Å; C127-N131 PolarHBondContact O-N 2.86Å; C127-N131 VanDerWaalsContact O-N 3.11Å; C127-N131 PolarHBondContact O-ND2 2.86Å; C127-N131 PolarHBondContact O-OD1 2.94Å; C127-V195 HydrophobicContact CB-CB 4.04Å; C127-V195 HydrophobicContact CB-CG2 3.66Å
128A98.1Very high98.5Very high19 Ų1927.5 Ų27.516%0.15714%0.144CC..Hα-helixtrans-66.6-36.5-17000000113I130 R132 W149 T153A128-I130 VanDerWaalsContact C-N 3.33Å; A128-I130 PolarHBondContact O-N 3.42Å; A128-R132 WeakPolarHBondContact O-CB 3.44Å; A128-R132 PolarHBondContact O-N 3.28Å; A128-R132 VanDerWaalsContact O-N 3.12Å; A128-W149 HydrophobicContact CB-CH2 4.01Å; A128-W149 HydrophobicContact CB-CZ2 3.86Å; A128-T153 HydrophobicContact CB-CG2 3.85Å
129S97.3Very high98.4Very high72 Ų7228 Ų2850%0.50315%0.146SC..Hα-helixtrans-63.8-39-17851.60000112.2C127C127-S129 PolarHBondContact O-N 2.88Å; C127-S129 PolarHBondContact SG-OG 2.9Å; C127-S129 VanDerWaalsContact SG-OG 3.35Å
130I98.4Very high98.4Very high22 Ų2227 Ų2711%0.11314%0.142CC..Hα-helixtrans-80.1-55.1-178.7-61.8-58.1000110.8H125 C127 A128 R132 I133 Y134 W206H125-I130 HydrophobicContact CB-CG2 4.35Å; H125-I130 WeakPolarHBondContact ND1-CG2 3.47Å; C127-I130 PolarHBondContact O-N 3.47Å; C127-I130 WeakPolarHBondContact SG-CG1 3.3Å; A128-I130 VanDerWaalsContact C-N 3.33Å; A128-I130 PolarHBondContact O-N 3.42Å; I130-R132 PolarHBondContact O-N 3.38Å; I130-I133 WeakPolarHBondContact O-CG1 3.4Å; I130-I133 PolarHBondContact O-N 2.86Å; I130-Y134 HydrophobicContact CB-CD2 4.49Å; I130-Y134 HydrophobicContact CD1-CE2 4.35Å; I130-Y134 HydrophobicContact CG2-CD2 3.6Å; I130-Y134 HydrophobicContact CG2-CE2 4.05Å; I130-Y134 VanDerWaalsContact O-CD2 3.29Å; I130-Y134 WeakPolarHBondContact O-CD2 3.34Å; I130-Y134 PolarHBondContact O-N 2.95Å; I130-W206 HydrophobicContact CD1-CH2 3.75Å; I130-W206 HydrophobicContact CD1-CZ2 3.62Å; I130-W206 HydrophobicContact CG1-CH2 4.28Å; I130-W206 HydrophobicContact CG1-CZ2 3.79Å
131N98.5Very high98.4Very high0 Ų032.4 Ų32.40%017%0.165CC..Hα-helixtrans-75.3-3.2-174.973.435000114.7V94 D95 H125 C127 I133 F136 Y137 W149V94-N131 HydrophobicContact CG2-CB 4.2Å; D95-N131 WeakPolarHBondContact OD1-CA 3.41Å; D95-N131 WeakPolarHBondContact OD2-CA 3.21Å; D95-N131 WeakPolarHBondContact OD2-CB 3.36Å; H125-N131 WeakPolarHBondContact O-CB 3.33Å; H125-N131 PolarHBondContact O-ND2 3.17Å; C127-N131 PolarHBondContact O-N 2.86Å; C127-N131 VanDerWaalsContact O-N 3.11Å; C127-N131 PolarHBondContact O-ND2 2.86Å; C127-N131 PolarHBondContact O-OD1 2.94Å; N131-I133 VanDerWaalsContact C-N 3.31Å; N131-F136 HydrophobicContact CB-CB 3.93Å; N131-F136 HydrophobicContact CB-CD1 4.37Å; N131-Y137 WeakPolarHBondContact O-CB 3.19Å; N131-Y137 PolarHBondContact O-N 2.96Å; N131-W149 PolarHBondContact OD1-NE1 2.83Å
132R98.1Very high98.4Very high100 Ų10040.3 Ų40.338%0.37720%0.195SC..THydrogen-bonded Turntrans-67.5-30.1165.7178.960.5-174.782.21113A128 I130 Y137 W149A128-R132 WeakPolarHBondContact O-CB 3.44Å; A128-R132 PolarHBondContact O-N 3.28Å; A128-R132 VanDerWaalsContact O-N 3.12Å; I130-R132 PolarHBondContact O-N 3.38Å; R132-Y137 VanDerWaalsContact CD-CD2 3.41Å; R132-Y137 VanDerWaalsContact CD-CG 3.46Å; R132-Y137 VanDerWaalsContact NH1-CE1 3.34Å; R132-W149 HydrophobicContact CB-CZ2 4.2Å
133I97.7Very high98.3Very high108 Ų10842 Ų4255%0.55420%0.201SC*.THydrogen-bonded Turntrans-116.8-20.9-17059.1169.2000113.8I130 N131I130-I133 WeakPolarHBondContact O-CG1 3.4Å; I130-I133 PolarHBondContact O-N 2.86Å; N131-I133 VanDerWaalsContact C-N 3.31Å
134Y97.7Very high98.3Very high89 Ų8943.9 Ų43.935%0.34921%0.209SC..SBendtrans-99.46.2-176-65.9-66.4000115.4D95 R96 H125 I130D95-Y134 WeakPolarHBondContact CB-O 3.47Å; D95-Y134 VanDerWaalsContact OD1-C 3.23Å; R96-Y134 PolarHBondContact N-O 2.93Å; H125-Y134 AromaticContact CE1-CD2 3.98Å; I130-Y134 HydrophobicContact CB-CD2 4.49Å; I130-Y134 HydrophobicContact CD1-CE2 4.35Å; I130-Y134 HydrophobicContact CG2-CD2 3.6Å; I130-Y134 HydrophobicContact CG2-CE2 4.05Å; I130-Y134 VanDerWaalsContact O-CD2 3.29Å; I130-Y134 WeakPolarHBondContact O-CD2 3.34Å; I130-Y134 PolarHBondContact O-N 2.95Å
135G98.1Very high98.3Very high25 Ų2545.9 Ų45.926%0.25822%0.22SC..SBendtrans133.9-28.8160.100000116D95 Y137 D138 E139D95-G135 PolarHBondContact OD1-N 2.93Å; D95-G135 VanDerWaalsContact OD1-N 3.11Å; G135-Y137 PolarHBondContact O-N 2.86Å; G135-D138 PolarHBondContact O-N 2.87Å; G135-E139 PolarHBondContact O-N 3.1Å
136F98.8Very high98.3Very high0 Ų048.4 Ų48.40%023%0.233CC..Hα-helixtrans-66.5-41.2-171.5-174-127.2000112.9V94 D95 L101 I104 N131 D138 E139 C140 W149 F152 F156V94-F136 HydrophobicContact CB-CB 4.03Å; V94-F136 HydrophobicContact CB-CD1 4.3Å; V94-F136 HydrophobicContact CB-CD2 3.84Å; V94-F136 HydrophobicContact CB-CE2 4.35Å; V94-F136 HydrophobicContact CB-CG 3.8Å; V94-F136 HydrophobicContact CG1-CD1 4.3Å; V94-F136 HydrophobicContact CG1-CD2 3.79Å; V94-F136 HydrophobicContact CG1-CE1 4.29Å; V94-F136 HydrophobicContact CG1-CE2 3.76Å; V94-F136 HydrophobicContact CG1-CG 4.06Å; V94-F136 HydrophobicContact CG1-CZ 4.02Å; V94-F136 HydrophobicContact CG2-CB 4.1Å; V94-F136 HydrophobicContact CG2-CD1 4.15Å; V94-F136 HydrophobicContact CG2-CG 4.03Å; D95-F136 WeakPolarHBondContact OD1-CB 3.15Å; D95-F136 PolarHBondContact OD1-N 3.24Å; L101-F136 HydrophobicContact CD2-CE2 3.92Å; L101-F136 HydrophobicContact CD2-CZ 4.33Å; L101-F136 HydrophobicContact CG-CE2 4.16Å; I104-F136 HydrophobicContact CG2-CE2 4.29Å; I104-F136 HydrophobicContact CG2-CZ 4.23Å; N131-F136 HydrophobicContact CB-CB 3.93Å; N131-F136 HydrophobicContact CB-CD1 4.37Å; F136-D138 VanDerWaalsContact C-N 3.33Å; F136-D138 PolarHBondContact O-N 2.73Å; F136-E139 PolarHBondContact O-N 2.96Å; F136-C140 WeakPolarHBondContact O-CB 3.45Å; F136-C140 PolarHBondContact O-N 2.88Å; F136-C140 PolarHBondContact O-SG 3.38Å; F136-W149 AromaticContact CD1-CD1 3.85Å; F136-F152 HydrophobicContact CE1-CB 3.69Å; F136-F152 HydrophobicContact CE1-CD1 4.39Å; F136-F152 AromaticContact CE1-CD2 3.97Å; F136-F152 HydrophobicContact CE1-CD2 3.97Å; F136-F152 AromaticContact CE1-CG 3.79Å; F136-F152 HydrophobicContact CE1-CG 3.79Å; F136-F152 HydrophobicContact CZ-CB 4.06Å; F136-F152 AromaticContact CZ-CD1 3.96Å; F136-F152 HydrophobicContact CZ-CD1 3.96Å; F136-F152 AromaticContact CZ-CD2 3.56Å; F136-F152 HydrophobicContact CZ-CD2 3.56Å; F136-F152 HydrophobicContact CZ-CE1 4.25Å; F136-F152 AromaticContact CZ-CE2 3.87Å; F136-F152 HydrophobicContact CZ-CE2 3.87Å; F136-F152 AromaticContact CZ-CG 3.61Å; F136-F152 HydrophobicContact CZ-CG 3.61Å; F136-F152 HydrophobicContact CZ-CZ 4.19Å; F136-F156 HydrophobicContact CD1-CE2 4.15Å; F136-F156 AromaticContact CE1-CE2 3.67Å; F136-F156 HydrophobicContact CE1-CE2 3.67Å; F136-F156 AromaticContact CE1-CZ 3.91Å; F136-F156 HydrophobicContact CE1-CZ 3.91Å; F136-F156 HydrophobicContact CZ-CE2 4.47Å; F136-F156 HydrophobicContact CZ-CZ 4.27Å
137Y98.8Very high98.3Very high22 Ų2254.8 Ų54.89%0.08626%0.26CS..Hα-helixtrans-57.4-46.8173.3171.4-87.7000111.9N131 R132 G135 E139 C140 K141 I146 W149N131-Y137 WeakPolarHBondContact O-CB 3.19Å; N131-Y137 PolarHBondContact O-N 2.96Å; R132-Y137 VanDerWaalsContact CD-CD2 3.41Å; R132-Y137 VanDerWaalsContact CD-CG 3.46Å; R132-Y137 VanDerWaalsContact NH1-CE1 3.34Å; G135-Y137 PolarHBondContact O-N 2.86Å; Y137-E139 VanDerWaalsContact C-N 3.34Å; Y137-C140 PolarHBondContact O-N 3.37Å; Y137-K141 HydrophobicContact CE1-CB 4.5Å; Y137-K141 HydrophobicContact CE1-CD 3.95Å; Y137-K141 VanDerWaalsContact O-CB 3.29Å; Y137-K141 WeakPolarHBondContact O-CB 3.41Å; Y137-K141 PolarHBondContact O-N 2.98Å; Y137-I146 HydrophobicContact CE2-CG1 4.14Å; Y137-I146 HydrophobicContact CE2-CG2 3.98Å; Y137-I146 VanDerWaalsContact OH-CD1 3.3Å; Y137-I146 WeakPolarHBondContact OH-CD1 3.31Å; Y137-W149 HydrophobicContact CD2-CB 4.48Å; Y137-W149 AromaticContact CD2-CD2 3.52Å; Y137-W149 HydrophobicContact CD2-CD2 3.52Å; Y137-W149 AromaticContact CD2-CE2 3.79Å; Y137-W149 AromaticContact CD2-CE3 3.71Å; Y137-W149 HydrophobicContact CD2-CE3 3.71Å; Y137-W149 AromaticContact CD2-CG 3.86Å; Y137-W149 HydrophobicContact CD2-CG 3.86Å; Y137-W149 HydrophobicContact CD2-CH2 4.38Å; Y137-W149 HydrophobicContact CD2-CZ2 4.21Å; Y137-W149 HydrophobicContact CD2-CZ3 4.15Å; Y137-W149 HydrophobicContact CE2-CD2 4.27Å; Y137-W149 HydrophobicContact CE2-CE3 4Å; Y137-W149 HydrophobicContact CE2-CZ3 4.31Å; Y137-W149 HydrophobicContact CG-CD2 4.49Å
138D98.6Very high98.4Very high83 Ų8354.7 Ų54.744%0.44426%0.26SS..Hα-helixtrans-68.9-35.6-179.3-73.1-37000111.2G135 F136 R142G135-D138 PolarHBondContact O-N 2.87Å; F136-D138 VanDerWaalsContact C-N 3.33Å; F136-D138 PolarHBondContact O-N 2.73Å; D138-R142 WeakPolarHBondContact O-CB 3.22Å; D138-R142 PolarHBondContact O-N 3.07Å
139E98.7Very high98.4Very high10 Ų1055.1 Ų55.15%0.04726%0.257CS..Hα-helixtrans-61.5-49.4172.1-166.3-176.215800111.6S100 L101 G135 F136 Y137 R142 R143S100-E139 WeakPolarHBondContact CB-OE2 3.42Å; S100-E139 PolarHBondContact N-OE2 3.41Å; S100-E139 PolarHBondContact OG-OE2 3.2Å; L101-E139 WeakPolarHBondContact CB-OE1 3.38Å; L101-E139 HydrophobicContact CD1-CG 3.82Å; L101-E139 HydrophobicContact CG-CG 4.26Å; L101-E139 PolarHBondContact N-OE1 3.03Å; G135-E139 PolarHBondContact O-N 3.1Å; F136-E139 PolarHBondContact O-N 2.96Å; Y137-E139 VanDerWaalsContact C-N 3.34Å; E139-R142 PolarHBondContact O-N 3.36Å; E139-R143 WeakPolarHBondContact O-CB 3.33Å; E139-R143 PolarHBondContact O-N 3.44Å; E139-R143 IonicContact OE1-CZ 2.71Å; E139-R143 IonicContact OE1-NH1 3.34Å; E139-R143 PolarHBondContact OE1-NH1 3.06Å
140C98.7Very high98.5Very high0 Ų057.5 Ų57.50%026%0.258CS..Hα-helixtrans-59.9-48.4176.5-71.30000111.7F136 Y137 R142 Y144 N145 W149F136-C140 WeakPolarHBondContact O-CB 3.45Å; F136-C140 PolarHBondContact O-N 2.88Å; F136-C140 PolarHBondContact O-SG 3.38Å; Y137-C140 PolarHBondContact O-N 3.37Å; C140-R142 VanDerWaalsContact C-N 3.32Å; C140-R142 PolarHBondContact O-N 2.88Å; C140-Y144 CarbonylContact O-C 3.49Å; C140-Y144 VanDerWaalsContact O-C 3.26Å; C140-Y144 WeakPolarHBondContact O-CA 3.13Å; C140-Y144 PolarHBondContact O-N 2.84Å; C140-N145 PolarHBondContact O-N 3.42Å; C140-W149 HydrophobicContact CB-CB 3.76Å
141K98.4Very high98.5Very high114 Ų11457.3 Ų57.350%0.49626%0.259SS..Hα-helixtrans-61.3-40.5179.7-179.5-177.6174.5-168.70111.8Y137 I146Y137-K141 HydrophobicContact CE1-CB 4.5Å; Y137-K141 HydrophobicContact CE1-CD 3.95Å; Y137-K141 VanDerWaalsContact O-CB 3.29Å; Y137-K141 WeakPolarHBondContact O-CB 3.41Å; Y137-K141 PolarHBondContact O-N 2.98Å; K141-I146 HydrophobicContact CB-CG1 4.34Å; K141-I146 HydrophobicContact CD-CD1 4.42Å; K141-I146 HydrophobicContact CD-CG1 4.35Å; K141-I146 HydrophobicContact CG-CG1 4.1Å
142R98.4Very high98.5Very high165 Ų16557.3 Ų57.362%0.62326%0.259SS*.Hα-helixtrans-73.6-40.4-178179.6178.755.974.1-0.2112.7D138 E139 C140D138-R142 WeakPolarHBondContact O-CB 3.22Å; D138-R142 PolarHBondContact O-N 3.07Å; E139-R142 PolarHBondContact O-N 3.36Å; C140-R142 VanDerWaalsContact C-N 3.32Å; C140-R142 PolarHBondContact O-N 2.88Å
143R98.4Very high98.5Very high38 Ų3853.4 Ų53.414%0.14325%0.246CC..Hα-helixtrans-93-25-174.1-68.7177.557.5179.37.5113.7V28 L101 E102 E139V28-R143 PolarHBondContact O-NH2 3.46Å; L101-R143 HydrophobicContact CD1-CB 4.08Å; L101-R143 HydrophobicContact CD1-CG 4.49Å; E102-R143 VanDerWaalsContact CD-NH1 3.29Å; E102-R143 IonicContact OE1-CZ 3.49Å; E102-R143 IonicContact OE1-NH1 3.57Å; E102-R143 PolarHBondContact OE1-NH1 3.34Å; E102-R143 VanDerWaalsContact OE1-NH1 3.13Å; E102-R143 IonicContact OE1-NH2 3.46Å; E102-R143 PolarHBondContact OE1-NH2 3.42Å; E102-R143 IonicContact OE2-CZ 3.99Å; E102-R143 IonicContact OE2-NH1 3.06Å; E102-R143 PolarHBondContact OE2-NH1 3.21Å; E102-R143 IonicContact OE2-NH2 2.87Å; E139-R143 WeakPolarHBondContact O-CB 3.33Å; E139-R143 PolarHBondContact O-N 3.44Å; E139-R143 IonicContact OE1-CZ 2.71Å; E139-R143 IonicContact OE1-NH1 3.34Å; E139-R143 PolarHBondContact OE1-NH1 3.06Å
144Y98.5Very high98.6Very high38 Ų3852.6 Ų52.615%0.14924%0.242CC..SBendtrans-139.1-106.2-177.4-62.4-85000109.2L30 E32 I35 L101 C140 L148L30-Y144 WeakPolarHBondContact O-CE1 3.36Å; L30-Y144 PolarHBondContact O-OH 2.85Å; E32-Y144 HydrophobicContact CB-CD1 4.09Å; I35-Y144 HydrophobicContact CD1-CD1 4.46Å; I35-Y144 HydrophobicContact CD1-CD2 4.31Å; I35-Y144 HydrophobicContact CD1-CE1 3.8Å; I35-Y144 HydrophobicContact CD1-CE2 3.65Å; I35-Y144 WeakPolarHBondContact CD1-OH 3.45Å; L101-Y144 HydrophobicContact CD1-CD2 3.85Å; L101-Y144 HydrophobicContact CD1-CE2 3.81Å; C140-Y144 CarbonylContact O-C 3.49Å; C140-Y144 VanDerWaalsContact O-C 3.26Å; C140-Y144 WeakPolarHBondContact O-CA 3.13Å; C140-Y144 PolarHBondContact O-N 2.84Å; Y144-L148 HydrophobicContact CD1-CD2 3.99Å; Y144-L148 HydrophobicContact CD2-CD2 3.73Å; Y144-L148 HydrophobicContact CE2-CD2 4.49Å; Y144-L148 HydrophobicContact CG-CD2 3.45Å; Y144-L148 VanDerWaalsContact CG-CD2 3.45Å
145N98.4Very high98.7Very high47 Ų4748.3 Ų48.325%0.25123%0.226SC..  trans-159.8171.8178.861.457.1000111.4E32 C140 K147 L148E32-N145 PolarHBondContact OE1-ND2 2.92Å; E32-N145 PolarHBondContact OE2-ND2 2.93Å; C140-N145 PolarHBondContact O-N 3.42Å; N145-K147 VanDerWaalsContact C-N 3.28Å; N145-K147 PolarHBondContact O-N 2.93Å; N145-K147 WeakPolarHBondContact OD1-CA 3.36Å; N145-K147 VanDerWaalsContact OD1-CB 3.26Å; N145-K147 WeakPolarHBondContact OD1-CB 3.43Å; N145-K147 PolarHBondContact OD1-N 3.09Å; N145-L148 PolarHBondContact O-N 2.89Å; N145-L148 PolarHBondContact OD1-N 2.84Å
146I98.6Very high98.7Very high63 Ų6347.2 Ų47.232%0.32321%0.214SC..Hα-helixtrans-67-28.4-179.6-63167.3000112.1Y137 K141 L148 W149 K150Y137-I146 HydrophobicContact CE2-CG1 4.14Å; Y137-I146 HydrophobicContact CE2-CG2 3.98Å; Y137-I146 VanDerWaalsContact OH-CD1 3.3Å; Y137-I146 WeakPolarHBondContact OH-CD1 3.31Å; K141-I146 HydrophobicContact CB-CG1 4.34Å; K141-I146 HydrophobicContact CD-CD1 4.42Å; K141-I146 HydrophobicContact CD-CG1 4.35Å; K141-I146 HydrophobicContact CG-CG1 4.1Å; I146-L148 VanDerWaalsContact C-N 3.3Å; I146-L148 PolarHBondContact O-N 2.87Å; I146-W149 HydrophobicContact CG2-CE3 4.48Å; I146-W149 PolarHBondContact O-N 3.04Å; I146-K150 PolarHBondContact O-N 3.03Å; I146-K150 VanDerWaalsContact O-N 3.11Å
147K98.6Very high98.7Very high133 Ų13348.2 Ų48.258%0.57822%0.219SC*.Hα-helixtrans-67.4-34.3179-178.1-177.9179.1179.70111.2N145 K150 T151N145-K147 VanDerWaalsContact C-N 3.28Å; N145-K147 PolarHBondContact O-N 2.93Å; N145-K147 WeakPolarHBondContact OD1-CA 3.36Å; N145-K147 VanDerWaalsContact OD1-CB 3.26Å; N145-K147 WeakPolarHBondContact OD1-CB 3.43Å; N145-K147 PolarHBondContact OD1-N 3.09Å; K147-K150 PolarHBondContact O-N 2.86Å; K147-T151 PolarHBondContact O-N 3.39Å; K147-T151 PolarHBondContact O-OG1 2.89Å
148L98.7Very high98.7Very high1 Ų147.1 Ų47.11%0.00522%0.215CC..Hα-helixtrans-65.5-42.3173.8-169.764.6000111.5E32 I35 Y144 N145 I146 K150 T151 F152E32-L148 HydrophobicContact CG-CD1 4.24Å; I35-L148 HydrophobicContact CB-CD1 4.14Å; I35-L148 HydrophobicContact CB-CD2 4.39Å; I35-L148 HydrophobicContact CD1-CD2 4.08Å; I35-L148 HydrophobicContact CG2-CD1 3.86Å; I35-L148 HydrophobicContact CG2-CD2 4.11Å; I35-L148 HydrophobicContact CG2-CG 4.31Å; Y144-L148 HydrophobicContact CD1-CD2 3.99Å; Y144-L148 HydrophobicContact CD2-CD2 3.73Å; Y144-L148 HydrophobicContact CE2-CD2 4.49Å; Y144-L148 HydrophobicContact CG-CD2 3.45Å; Y144-L148 VanDerWaalsContact CG-CD2 3.45Å; N145-L148 PolarHBondContact O-N 2.89Å; N145-L148 PolarHBondContact OD1-N 2.84Å; I146-L148 VanDerWaalsContact C-N 3.3Å; I146-L148 PolarHBondContact O-N 2.87Å; L148-K150 VanDerWaalsContact C-N 3.35Å; L148-K150 PolarHBondContact O-N 3.49Å; L148-T151 WeakPolarHBondContact O-CA 3.4Å; L148-T151 VanDerWaalsContact O-CB 3.27Å; L148-T151 WeakPolarHBondContact O-CB 3.38Å; L148-T151 PolarHBondContact O-N 2.82Å; L148-F152 HydrophobicContact CD1-CE2 4.46Å; L148-F152 HydrophobicContact CD2-CE2 4.26Å; L148-F152 HydrophobicContact CG-CD2 4.22Å; L148-F152 HydrophobicContact CG-CE2 3.94Å; L148-F152 WeakPolarHBondContact O-CD2 3.49Å; L148-F152 PolarHBondContact O-N 3.42Å
149W98.9Very high98.7Very high28 Ų2843.3 Ų43.311%0.10619%0.194CC..Hα-helixtrans-57.6-45.4173.117277.3000112.3A128 N131 R132 F136 Y137 C140 I146 T151 F152 T153A128-W149 HydrophobicContact CB-CH2 4.01Å; A128-W149 HydrophobicContact CB-CZ2 3.86Å; N131-W149 PolarHBondContact OD1-NE1 2.83Å; R132-W149 HydrophobicContact CB-CZ2 4.2Å; F136-W149 AromaticContact CD1-CD1 3.85Å; Y137-W149 HydrophobicContact CD2-CB 4.48Å; Y137-W149 AromaticContact CD2-CD2 3.52Å; Y137-W149 HydrophobicContact CD2-CD2 3.52Å; Y137-W149 AromaticContact CD2-CE2 3.79Å; Y137-W149 AromaticContact CD2-CE3 3.71Å; Y137-W149 HydrophobicContact CD2-CE3 3.71Å; Y137-W149 AromaticContact CD2-CG 3.86Å; Y137-W149 HydrophobicContact CD2-CG 3.86Å; Y137-W149 HydrophobicContact CD2-CH2 4.38Å; Y137-W149 HydrophobicContact CD2-CZ2 4.21Å; Y137-W149 HydrophobicContact CD2-CZ3 4.15Å; Y137-W149 HydrophobicContact CE2-CD2 4.27Å; Y137-W149 HydrophobicContact CE2-CE3 4Å; Y137-W149 HydrophobicContact CE2-CZ3 4.31Å; Y137-W149 HydrophobicContact CG-CD2 4.49Å; C140-W149 HydrophobicContact CB-CB 3.76Å; I146-W149 HydrophobicContact CG2-CE3 4.48Å; I146-W149 PolarHBondContact O-N 3.04Å; W149-T151 PolarHBondContact O-N 3.2Å; W149-F152 WeakPolarHBondContact O-CA 3.18Å; W149-F152 WeakPolarHBondContact O-CB 3.29Å; W149-F152 PolarHBondContact O-N 2.84Å; W149-T153 PolarHBondContact O-N 3.4Å; W149-T153 PolarHBondContact O-OG1 3.2Å
150K98.8Very high98.7Very high121 Ų12143 Ų4353%0.52619%0.193SC..Hα-helixtrans-59.8-36.2174.3-67-177.9176.9-174.70112.5I146 K147 L148 F152 T153 D154I146-K150 PolarHBondContact O-N 3.03Å; I146-K150 VanDerWaalsContact O-N 3.11Å; K147-K150 PolarHBondContact O-N 2.86Å; L148-K150 VanDerWaalsContact C-N 3.35Å; L148-K150 PolarHBondContact O-N 3.49Å; K150-F152 VanDerWaalsContact C-N 3.33Å; K150-T153 WeakPolarHBondContact O-CB 3.43Å; K150-T153 PolarHBondContact O-N 3.34Å; K150-D154 PolarHBondContact O-N 3Å
151T98.9Very high98.7Very high19 Ų1943 Ų4312%0.11719%0.193CC..Hα-helixtrans-65.5-37.2175.6-54.40000111.5R36 C39 K147 L148 W149 C155R36-T151 HydrophobicContact CG-CG2 4.12Å; C39-T151 HydrophobicContact CB-CG2 3.74Å; K147-T151 PolarHBondContact O-N 3.39Å; K147-T151 PolarHBondContact O-OG1 2.89Å; L148-T151 WeakPolarHBondContact O-CA 3.4Å; L148-T151 VanDerWaalsContact O-CB 3.27Å; L148-T151 WeakPolarHBondContact O-CB 3.38Å; L148-T151 PolarHBondContact O-N 2.82Å; W149-T151 PolarHBondContact O-N 3.2Å; T151-C155 PolarHBondContact O-N 2.84Å
152F98.9Very high98.8Very high0 Ų037.6 Ų37.60%017%0.17CC..Hα-helixtrans-65.6-43.6170.3-79.7-71.7000111.9I35 C39 L101 I104 L108 F136 L148 W149 K150 D154 C155 F156I35-F152 HydrophobicContact CG2-CE1 4.18Å; I35-F152 HydrophobicContact CG2-CE2 3.63Å; I35-F152 HydrophobicContact CG2-CZ 3.26Å; C39-F152 WeakPolarHBondContact SG-CD1 3.23Å; C39-F152 WeakPolarHBondContact SG-CE1 3.47Å; L101-F152 HydrophobicContact CD2-CE2 3.54Å; L101-F152 HydrophobicContact CD2-CZ 3.83Å; I104-F152 HydrophobicContact CG1-CD1 4.48Å; I104-F152 HydrophobicContact CG1-CE1 4.22Å; I104-F152 HydrophobicContact CG2-CD1 4.27Å; I104-F152 HydrophobicContact CG2-CE1 3.53Å; I104-F152 HydrophobicContact CG2-CZ 3.91Å; L108-F152 HydrophobicContact CD1-CE1 4.24Å; F136-F152 HydrophobicContact CE1-CB 3.69Å; F136-F152 HydrophobicContact CE1-CD1 4.39Å; F136-F152 AromaticContact CE1-CD2 3.97Å; F136-F152 HydrophobicContact CE1-CD2 3.97Å; F136-F152 AromaticContact CE1-CG 3.79Å; F136-F152 HydrophobicContact CE1-CG 3.79Å; F136-F152 HydrophobicContact CZ-CB 4.06Å; F136-F152 AromaticContact CZ-CD1 3.96Å; F136-F152 HydrophobicContact CZ-CD1 3.96Å; F136-F152 AromaticContact CZ-CD2 3.56Å; F136-F152 HydrophobicContact CZ-CD2 3.56Å; F136-F152 HydrophobicContact CZ-CE1 4.25Å; F136-F152 AromaticContact CZ-CE2 3.87Å; F136-F152 HydrophobicContact CZ-CE2 3.87Å; F136-F152 AromaticContact CZ-CG 3.61Å; F136-F152 HydrophobicContact CZ-CG 3.61Å; F136-F152 HydrophobicContact CZ-CZ 4.19Å; L148-F152 HydrophobicContact CD1-CE2 4.46Å; L148-F152 HydrophobicContact CD2-CE2 4.26Å; L148-F152 HydrophobicContact CG-CD2 4.22Å; L148-F152 HydrophobicContact CG-CE2 3.94Å; L148-F152 WeakPolarHBondContact O-CD2 3.49Å; L148-F152 PolarHBondContact O-N 3.42Å; W149-F152 WeakPolarHBondContact O-CA 3.18Å; W149-F152 WeakPolarHBondContact O-CB 3.29Å; W149-F152 PolarHBondContact O-N 2.84Å; K150-F152 VanDerWaalsContact C-N 3.33Å; F152-D154 VanDerWaalsContact C-N 3.3Å; F152-D154 PolarHBondContact O-N 3.11Å; F152-C155 WeakPolarHBondContact O-CA 3.44Å; F152-C155 WeakPolarHBondContact O-CB 3.46Å; F152-C155 PolarHBondContact O-N 3.24Å; F152-F156 HydrophobicContact CB-CE2 4.09Å; F152-F156 HydrophobicContact CB-CZ 4.19Å; F152-F156 HydrophobicContact CD1-CE1 4.35Å; F152-F156 HydrophobicContact CD1-CZ 4.14Å; F152-F156 VanDerWaalsContact O-CG 3.24Å; F152-F156 WeakPolarHBondContact O-CG 3.26Å; F152-F156 PolarHBondContact O-N 3.5Å
153T98.9Very high98.8Very high17 Ų1729.7 Ų29.710%0.10414%0.14CC..Hα-helixtrans-54.3-46.5174.1-56.30000111.7A128 W149 K150 C155 F156 N157A128-T153 HydrophobicContact CB-CG2 3.85Å; W149-T153 PolarHBondContact O-N 3.4Å; W149-T153 PolarHBondContact O-OG1 3.2Å; K150-T153 WeakPolarHBondContact O-CB 3.43Å; K150-T153 PolarHBondContact O-N 3.34Å; T153-C155 PolarHBondContact O-N 2.95Å; T153-F156 PolarHBondContact O-N 3.44Å; T153-N157 WeakPolarHBondContact O-CB 3.1Å; T153-N157 PolarHBondContact O-N 3.11Å; T153-N157 PolarHBondContact O-ND2 3.13Å
154D98.9Very high98.8Very high91 Ų9128.4 Ų28.449%0.48714%0.136SC..Hα-helixtrans-61.8-31.7178-68.9-24.7000112.8R43 K150 F152R43-D154 WeakPolarHBondContact CD-O 3.48Å; R43-D154 PolarHBondContact NE-O 3.48Å; K150-D154 PolarHBondContact O-N 3Å; F152-D154 VanDerWaalsContact C-N 3.3Å; F152-D154 PolarHBondContact O-N 3.11Å
155C98.9Very high98.8Very high0 Ų026.6 Ų26.60%013%0.129CC..Hα-helixtrans-73.9-48.9174-176.80000111.5C39 S42 T151 F152 T153 N157 C158C39-C155 HydrophobicContact CB-CB 4.08Å; S42-C155 PolarHBondContact OG-SG 3.5Å; S42-C155 VanDerWaalsContact OG-SG 3.38Å; T151-C155 PolarHBondContact O-N 2.84Å; F152-C155 WeakPolarHBondContact O-CA 3.44Å; F152-C155 WeakPolarHBondContact O-CB 3.46Å; F152-C155 PolarHBondContact O-N 3.24Å; T153-C155 PolarHBondContact O-N 2.95Å; C155-N157 VanDerWaalsContact C-N 3.28Å; C155-N157 PolarHBondContact O-N 2.92Å; C155-C158 WeakPolarHBondContact O-CA 3.33Å; C155-C158 WeakPolarHBondContact O-CB 3.42Å; C155-C158 PolarHBondContact O-N 3.23Å
156F98.9Very high98.8Very high1 Ų127 Ų270%0.00413%0.131CC..Hα-helixtrans-60.3-36.9179.9-66.3-19.2000113V94 I104 R122 E126 F136 F152 T153 C158 L159V94-F156 HydrophobicContact CG1-CZ 4.06Å; V94-F156 HydrophobicContact CG2-CE2 4.41Å; I104-F156 HydrophobicContact CD1-CE1 3.84Å; I104-F156 HydrophobicContact CD1-CZ 4.42Å; I104-F156 HydrophobicContact CG1-CE1 3.76Å; I104-F156 HydrophobicContact CG1-CZ 4.03Å; R122-F156 PolarHBondContact NE-O 3.37Å; E126-F156 HydrophobicContact CB-CB 4.01Å; E126-F156 HydrophobicContact CB-CD1 4.28Å; E126-F156 HydrophobicContact CB-CD2 4.15Å; E126-F156 HydrophobicContact CB-CG 3.91Å; E126-F156 HydrophobicContact CG-CD1 3.91Å; E126-F156 HydrophobicContact CG-CD2 4.22Å; E126-F156 HydrophobicContact CG-CE1 4.07Å; E126-F156 HydrophobicContact CG-CE2 4.36Å; E126-F156 HydrophobicContact CG-CG 4Å; E126-F156 HydrophobicContact CG-CZ 4.3Å; E126-F156 WeakPolarHBondContact O-CB 3.25Å; F136-F156 HydrophobicContact CD1-CE2 4.15Å; F136-F156 AromaticContact CE1-CE2 3.67Å; F136-F156 HydrophobicContact CE1-CE2 3.67Å; F136-F156 AromaticContact CE1-CZ 3.91Å; F136-F156 HydrophobicContact CE1-CZ 3.91Å; F136-F156 HydrophobicContact CZ-CE2 4.47Å; F136-F156 HydrophobicContact CZ-CZ 4.27Å; F152-F156 HydrophobicContact CB-CE2 4.09Å; F152-F156 HydrophobicContact CB-CZ 4.19Å; F152-F156 HydrophobicContact CD1-CE1 4.35Å; F152-F156 HydrophobicContact CD1-CZ 4.14Å; F152-F156 VanDerWaalsContact O-CG 3.24Å; F152-F156 WeakPolarHBondContact O-CG 3.26Å; F152-F156 PolarHBondContact O-N 3.5Å; T153-F156 PolarHBondContact O-N 3.44Å; F156-C158 PolarHBondContact O-N 3.3Å; F156-L159 HydrophobicContact CB-CD1 4.39Å; F156-L159 HydrophobicContact CD1-CD1 4.01Å; F156-L159 PolarHBondContact O-N 2.82Å
157N98.9Very high98.8Very high21 Ų2131.4 Ų31.411%0.11215%0.15CC..THydrogen-bonded Turntrans-61.3-11.8174.3-73.5-11.5000113.8R122 T153 C155 P192 T193R122-N157 PolarHBondContact NH2-OD1 3.48Å; T153-N157 WeakPolarHBondContact O-CB 3.1Å; T153-N157 PolarHBondContact O-N 3.11Å; T153-N157 PolarHBondContact O-ND2 3.13Å; C155-N157 VanDerWaalsContact C-N 3.28Å; C155-N157 PolarHBondContact O-N 2.92Å; N157-P192 HydrophobicContact CB-CB 3.86Å; N157-P192 VanDerWaalsContact O-CA 3.25Å; N157-P192 WeakPolarHBondContact O-CA 3.34Å; N157-T193 WeakPolarHBondContact CA-O 3.28Å; N157-T193 WeakPolarHBondContact CB-O 3.38Å; N157-T193 VanDerWaalsContact CG-O 3.31Å; N157-T193 PolarHBondContact O-N 3.02Å; N157-T193 PolarHBondContact OD1-O 2.98Å
158C98.9Very high98.9Very high0 Ų027.3 Ų27.30%013%0.132CC..THydrogen-bonded Turntrans-105.4-1.9177.4-63.10000114.1R43 F46 L47 C155 F156 R191R43-C158 HydrophobicContact CG-CB 3.94Å; R43-C158 VanDerWaalsContact CG-SG 3.58Å; R43-C158 PolarHBondContact NE-SG 3Å; F46-C158 HydrophobicContact CB-CB 4.26Å; F46-C158 VanDerWaalsContact CB-O 3.23Å; F46-C158 WeakPolarHBondContact CB-O 3.34Å; L47-C158 HydrophobicContact CD2-CB 4.03Å; L47-C158 HydrophobicContact CG-CB 4.03Å; C155-C158 WeakPolarHBondContact O-CA 3.33Å; C155-C158 WeakPolarHBondContact O-CB 3.42Å; C155-C158 PolarHBondContact O-N 3.23Å; F156-C158 PolarHBondContact O-N 3.3Å; C158-R191 VanDerWaalsContact O-CD 3.26Å; C158-R191 WeakPolarHBondContact O-CD 3.49Å; C158-R191 PolarHBondContact O-NH1 3.07Å
159L98.9Very high98.9Very high2 Ų227.5 Ų27.51%0.0113%0.133CC..SBendtrans-62.2144.5178.5-75.5164.9000111.7F46 Y93 L120 R122 E126 F156 R191F46-L159 HydrophobicContact CD1-CD2 4.18Å; F46-L159 HydrophobicContact CD2-CD2 4.1Å; F46-L159 HydrophobicContact CE1-CD2 3.69Å; F46-L159 HydrophobicContact CE2-CD2 3.63Å; F46-L159 HydrophobicContact CE2-CG 4.39Å; F46-L159 HydrophobicContact CG-CD2 4.38Å; F46-L159 HydrophobicContact CZ-CD2 3.41Å; F46-L159 VanDerWaalsContact CZ-CD2 3.41Å; Y93-L159 HydrophobicContact CE2-CD1 4.28Å; L120-L159 HydrophobicContact CB-CD2 4.05Å; R122-L159 HydrophobicContact CB-CB 3.71Å; R122-L159 HydrophobicContact CB-CD1 4.32Å; R122-L159 HydrophobicContact CG-CB 4.01Å; R122-L159 HydrophobicContact CG-CD1 4.11Å; E126-L159 HydrophobicContact CB-CD1 3.95Å; E126-L159 HydrophobicContact CG-CD1 3.83Å; F156-L159 HydrophobicContact CB-CD1 4.39Å; F156-L159 HydrophobicContact CD1-CD1 4.01Å; F156-L159 PolarHBondContact O-N 2.82Å; L159-R191 WeakPolarHBondContact O-CD 3.35Å
160P98.9Very high98.9Very high3 Ų326.2 Ų26.22%0.01913%0.128CC..  trans-65.6154.9166.929.8-33.1000110.5I51 L53 L120 L121 R122I51-P160 CarbonylContact O-C 3.51Å; I51-P160 WeakPolarHBondContact O-CA 3.45Å; I51-P160 VanDerWaalsContact O-CB 3.22Å; I51-P160 WeakPolarHBondContact O-CB 3.35Å; L53-P160 HydrophobicContact CD1-CB 4.19Å; L53-P160 HydrophobicContact CD1-CG 3.83Å; L53-P160 HydrophobicContact CD2-CB 4.25Å; L53-P160 HydrophobicContact CD2-CG 4.35Å; L53-P160 HydrophobicContact CG-CB 3.93Å; L53-P160 HydrophobicContact CG-CG 4.1Å; L120-P160 VanDerWaalsContact O-CD 3.28Å; L120-P160 WeakPolarHBondContact O-CD 3.33Å; L120-P160 WeakPolarHBondContact O-CG 3.38Å; L121-P160 CarbonylContact C-O 3.59Å; L121-P160 WeakPolarHBondContact CA-O 3.26Å; L121-P160 HydrophobicContact CD2-CB 4.27Å; L121-P160 HydrophobicContact CD2-CG 4.1Å; R122-P160 PolarHBondContact N-O 2.91Å
161I98.9Very high98.9Very high1 Ų120.4 Ų20.41%0.00510%0.103CC..  trans-112.9-16.6-168.469.4-176.3000113.2I51 R122 I186 V189 L201 L204 L205I51-I161 HydrophobicContact CD1-CD1 3.87Å; I51-I161 HydrophobicContact CD1-CG1 4.11Å; I51-I161 HydrophobicContact CD1-CG2 4.01Å; I51-I161 HydrophobicContact CG1-CD1 4.33Å; I51-I161 HydrophobicContact CG1-CG1 4.04Å; I51-I161 HydrophobicContact CG1-CG2 4.13Å; I51-I161 PolarHBondContact O-N 2.87Å; R122-I161 HydrophobicContact CB-CG2 4.36Å; I161-I186 HydrophobicContact CD1-CG2 3.75Å; I161-I186 HydrophobicContact CG1-CG2 3.67Å; I161-V189 HydrophobicContact CD1-CB 4.41Å; I161-V189 HydrophobicContact CD1-CG1 4.48Å; I161-V189 HydrophobicContact CD1-CG2 4.27Å; I161-L201 HydrophobicContact CB-CD1 4.16Å; I161-L201 HydrophobicContact CD1-CD1 3.78Å; I161-L201 HydrophobicContact CG2-CD1 3.66Å; I161-L204 HydrophobicContact CD1-CD1 3.89Å; I161-L204 HydrophobicContact CG1-CD1 4.26Å; I161-L205 HydrophobicContact CB-CD1 4.49Å
162A98.9Very high98.9Very high0 Ų019.5 Ų19.50%010%0.098CC..EExtended strand (participates in β ladder)trans-152.6162.8175.200000110.5L52 L53 F170 C171 C172 I186L52-A162 WeakPolarHBondContact CA-O 3.07Å; L52-A162 HydrophobicContact CD1-CB 3.68Å; L53-A162 PolarHBondContact N-O 3.28Å; A162-F170 HydrophobicContact CB-CE2 3.88Å; A162-F170 HydrophobicContact CB-CZ 4Å; A162-C171 CarbonylContact C-O 3.18Å; A162-C171 WeakPolarHBondContact CA-O 3.33Å; A162-C171 WeakPolarHBondContact CB-O 3.35Å; A162-C172 HydrophobicContact CB-CB 4.45Å; A162-I186 HydrophobicContact CB-CD1 4.33Å; A162-I186 HydrophobicContact CB-CG2 4.38Å
163A98.9Very high98.9Very high0 Ų019.5 Ų19.50%010%0.098CC..EExtended strand (participates in β ladder)trans-135.1155.1168.700000110.4L53 L55 L88 L121 C171L53-A163 HydrophobicContact CB-CB 3.82Å; L53-A163 HydrophobicContact CD1-CB 4.49Å; L53-A163 CarbonylContact O-C 3.54Å; L53-A163 WeakPolarHBondContact O-CA 3.31Å; L55-A163 HydrophobicContact CD1-CB 3.89Å; L55-A163 HydrophobicContact CG-CB 4.37Å; L88-A163 HydrophobicContact CD1-CB 4.27Å; L88-A163 HydrophobicContact CD2-CB 3.99Å; L121-A163 HydrophobicContact CD1-CB 4.48Å; L121-A163 HydrophobicContact CD2-CB 4.28Å; A163-C171 HydrophobicContact CB-CB 4.15Å; A163-C171 PolarHBondContact N-O 2.93Å; A163-C171 PolarHBondContact O-N 3.21Å
164I98.9Very high98.9Very high11 Ų1118.7 Ų18.76%0.0569%0.093CC..EExtended strand (participates in β ladder)trans-120126.5165.5-65.1167.9000107.2L52 L53 L55 I169 F170 M183 L241L52-I164 HydrophobicContact CD1-CD1 4.25Å; L52-I164 HydrophobicContact CD1-CG1 4.17Å; L52-I164 HydrophobicContact CD2-CD1 4.21Å; L53-I164 PolarHBondContact O-N 2.82Å; L55-I164 PolarHBondContact N-O 2.88Å; I164-I169 CarbonylContact C-O 3.46Å; I164-I169 VanDerWaalsContact CA-O 3.28Å; I164-I169 WeakPolarHBondContact CA-O 3.27Å; I164-F170 HydrophobicContact CG1-CD2 4.04Å; I164-M183 HydrophobicContact CD1-CE 4.26Å; I164-M183 HydrophobicContact CD1-CG 4.24Å; I164-M183 HydrophobicContact CD1-SD 4.24Å; I164-L241 HydrophobicContact CG2-CD2 4.26Å
165V98.9Very high98.9Very high0 Ų014.4 Ų14.40%07%0.07CC..EExtended strand (participates in β ladder)trans-100.8123.9176.2-176.10000109.3L55 A57 L59 I61 E167 K168 I169L55-V165 HydrophobicContact CB-CG2 4.36Å; L55-V165 CarbonylContact O-C 3.54Å; L55-V165 VanDerWaalsContact O-CA 3.31Å; L55-V165 WeakPolarHBondContact O-CA 3.49Å; A57-V165 HydrophobicContact CB-CG1 4.5Å; L59-V165 HydrophobicContact CD1-CG2 4.11Å; L59-V165 HydrophobicContact CD2-CB 4.45Å; L59-V165 HydrophobicContact CD2-CG1 3.48Å; L59-V165 VanDerWaalsContact CD2-CG1 3.48Å; L59-V165 HydrophobicContact CD2-CG2 4.1Å; I61-V165 HydrophobicContact CD1-CG2 4.4Å; V165-E167 PolarHBondContact O-N 2.85Å; V165-E167 VanDerWaalsContact O-N 3.09Å; V165-K168 PolarHBondContact O-N 2.57Å; V165-I169 HydrophobicContact CB-CB 4.13Å; V165-I169 PolarHBondContact N-O 3.23Å; V165-I169 PolarHBondContact O-N 3.38Å
166D98.5Very high98.9Very high55 Ų5514.5 Ų14.529%0.2947%0.07SC..THydrogen-bonded Turntrans44.940.1179.7-65.7-57.6000113.2L55 E56 A57 K168 L289L55-D166 PolarHBondContact O-N 2.82Å; E56-D166 WeakPolarHBondContact CA-OD1 3.4Å; A57-D166 WeakPolarHBondContact CB-OD2 3.42Å; A57-D166 PolarHBondContact N-OD2 3.47Å; D166-K168 WeakPolarHBondContact O-CG 3.26Å; D166-K168 PolarHBondContact O-N 2.85Å; D166-L289 HydrophobicContact CB-CD1 4.09Å; D166-L289 HydrophobicContact CB-CD2 3.75Å; D166-L289 HydrophobicContact CB-CG 4.25Å; D166-L289 WeakPolarHBondContact OD2-CD2 3.01Å
167E98.6Very high98.9Very high156 Ų15614.7 Ų14.773%0.7297%0.072SC*.THydrogen-bonded Turntrans58.310-178.3-54.3-177.816600115V165 L241V165-E167 PolarHBondContact O-N 2.85Å; V165-E167 VanDerWaalsContact O-N 3.09Å; E167-L241 WeakPolarHBondContact O-CD2 3.17Å
168K98.8Very high98.8Very high47 Ų4715.5 Ų15.520%0.2048%0.078CC..THydrogen-bonded Turntrans-124.4-27.4-171.4-67.4-55.6176.1-173.40115.5V165 D166 D240 D242 L243 L289V165-K168 PolarHBondContact O-N 2.57Å; D166-K168 WeakPolarHBondContact O-CG 3.26Å; D166-K168 PolarHBondContact O-N 2.85Å; K168-D240 VanDerWaalsContact NZ-CG 3.3Å; K168-D240 PolarHBondContact NZ-O 3.36Å; K168-D240 IonicContact NZ-OD1 3.91Å; K168-D240 IonicContact NZ-OD2 2.72Å; K168-D240 PolarHBondContact NZ-OD2 3.21Å; K168-D242 HydrophobicContact CB-CB 4.4Å; K168-D242 WeakPolarHBondContact CD-OD2 3.41Å; K168-D242 PolarHBondContact O-N 3.14Å; K168-L243 PolarHBondContact O-N 3.46Å; K168-L289 HydrophobicContact CB-CD1 3.86Å; K168-L289 HydrophobicContact CG-CD1 3.83Å
169I98.9Very high98.8Very high5 Ų519.3 Ų19.33%0.02610%0.099CC..EExtended strand (participates in β ladder)trans-114.4112.2-179.2-47.9173.7000109.8I164 V165 L243 C245 V285 L289I164-I169 CarbonylContact C-O 3.46Å; I164-I169 VanDerWaalsContact CA-O 3.28Å; I164-I169 WeakPolarHBondContact CA-O 3.27Å; V165-I169 HydrophobicContact CB-CB 4.13Å; V165-I169 PolarHBondContact N-O 3.23Å; V165-I169 PolarHBondContact O-N 3.38Å; I169-L243 CarbonylContact C-O 3.55Å; I169-L243 WeakPolarHBondContact CA-O 3.25Å; I169-L243 HydrophobicContact CD1-CD2 4.42Å; I169-L243 HydrophobicContact CG1-CB 4.28Å; I169-L243 HydrophobicContact CG1-CD2 4.43Å; I169-L243 HydrophobicContact CG2-CB 4.13Å; I169-L243 HydrophobicContact CG2-CD2 3.98Å; I169-L243 HydrophobicContact CG2-CG 4.09Å; I169-C245 HydrophobicContact CG2-CB 3.84Å; I169-V285 HydrophobicContact CD1-CG1 3.94Å; I169-V285 HydrophobicContact CD1-CG2 4.03Å; I169-L289 HydrophobicContact CD1-CD2 4.15Å
170F98.9Very high98.8Very high0 Ų019.6 Ų19.60%010%0.1CC..EExtended strand (participates in β ladder)trans-85.7123172.8177.4-98.6000110.6A162 I164 C172 L176 L180 M183 I186 L204 F235 L241 L243 I244 C245A162-F170 HydrophobicContact CB-CE2 3.88Å; A162-F170 HydrophobicContact CB-CZ 4Å; I164-F170 HydrophobicContact CG1-CD2 4.04Å; F170-C172 HydrophobicContact CE1-CB 4.02Å; F170-C172 HydrophobicContact CZ-CB 4.3Å; F170-L176 HydrophobicContact CE1-CD2 4.34Å; F170-L180 HydrophobicContact CZ-CD2 4.29Å; F170-M183 HydrophobicContact CD2-CE 3.82Å; F170-M183 HydrophobicContact CD2-SD 4.21Å; F170-M183 HydrophobicContact CE2-CE 4.1Å; F170-M183 HydrophobicContact CE2-SD 3.96Å; F170-I186 HydrophobicContact CE2-CD1 3.86Å; F170-I186 HydrophobicContact CZ-CD1 4.02Å; F170-L204 HydrophobicContact CE1-CD2 4.39Å; F170-L204 HydrophobicContact CZ-CD2 3.94Å; F170-F235 HydrophobicContact CB-CE1 4.24Å; F170-F235 HydrophobicContact CD1-CE1 4.07Å; F170-F235 HydrophobicContact CD1-CZ 4.12Å; F170-F235 HydrophobicContact CD2-CZ 4.35Å; F170-F235 HydrophobicContact CE1-CZ 4.33Å; F170-F235 HydrophobicContact CG-CE1 4.1Å; F170-F235 HydrophobicContact CG-CZ 4.13Å; F170-L241 HydrophobicContact CB-CD1 3.73Å; F170-L241 HydrophobicContact CB-CD2 4.48Å; F170-L243 PolarHBondContact N-O 3.36Å; F170-I244 HydrophobicContact CD1-CG2 4.42Å; F170-I244 CarbonylContact O-C 3.48Å; F170-I244 WeakPolarHBondContact O-CA 3.29Å; F170-C245 PolarHBondContact O-N 3.44Å
171C98.9Very high98.7Very high0 Ų024.4 Ų24.40%012%0.122CC..EExtended strand (participates in β ladder)trans-115.1129-176.3-61.50000111L88 L90 L121 A162 A163 C245L88-C171 HydrophobicContact CD2-CB 3.83Å; L90-C171 HydrophobicContact CD2-CB 3.92Å; L121-C171 HydrophobicContact CD1-CB 4.24Å; A162-C171 CarbonylContact C-O 3.18Å; A162-C171 WeakPolarHBondContact CA-O 3.33Å; A162-C171 WeakPolarHBondContact CB-O 3.35Å; A163-C171 HydrophobicContact CB-CB 4.15Å; A163-C171 PolarHBondContact N-O 2.93Å; A163-C171 PolarHBondContact O-N 3.21Å; C171-C245 VanDerWaalsContact CA-O 3.26Å; C171-C245 WeakPolarHBondContact CA-O 3.19Å
172C98.9Very high98.7Very high0 Ų027 Ų270%014%0.14CC..EExtended strand (participates in β ladder)trans-150.7174.3170.663.20000109.6A162 F170 L204 C245 R246A162-C172 HydrophobicContact CB-CB 4.45Å; F170-C172 HydrophobicContact CE1-CB 4.02Å; F170-C172 HydrophobicContact CZ-CB 4.3Å; C172-L204 HydrophobicContact CB-CD2 4.44Å; C172-C245 PolarHBondContact N-O 3.22Å; C172-R246 VanDerWaalsContact O-CA 3.28Å; C172-R246 WeakPolarHBondContact O-CA 3.06Å
173H98.9Very high98.7Very high0 Ų027.7 Ų27.70%014%0.144CC..SBendtrans-77.2-60.8178.5-17767.9000111.9D64 L90 D92 R122 G123 N124 L205 R246 A247 H248D64-H173 IonicContact OD1-CE1 3.62Å; D64-H173 PolarHBondContact OD1-CE1 3.15Å; D64-H173 IonicContact OD1-ND1 3.13Å; D64-H173 IonicContact OD2-CE1 3.81Å; L90-H173 WeakPolarHBondContact O-CA 3.17Å; L90-H173 WeakPolarHBondContact O-CB 3.37Å; L90-H173 VanDerWaalsContact O-CG 3.28Å; L90-H173 PolarHBondContact O-ND1 3.28Å; D92-H173 IonicContact OD1-CE1 2.73Å; D92-H173 IonicContact OD1-NE2 3.67Å; D92-H173 PolarHBondContact OD1-NE2 2.67Å; D92-H173 IonicContact OD2-CE1 3.65Å; D92-H173 PolarHBondContact OD2-CE1 2.82Å; D92-H173 IonicContact OD2-NE2 3.49Å; D92-H173 PolarHBondContact OD2-NE2 3.28Å; R122-H173 WeakPolarHBondContact O-CB 3.34Å; G123-H173 VanDerWaalsContact CA-CG 3.44Å; N124-H173 PolarHBondContact OD1-CD2 2.94Å; N124-H173 PolarHBondContact OD1-NE2 2.9Å; H173-L205 PolarHBondContact CD2-O 3.11Å; H173-R246 PolarHBondContact O-NE 3.04Å; H173-A247 PolarHBondContact O-N 3.11Å; H173-H248 AromaticContact CD2-CG 3.98Å; H173-H248 AromaticContact CD2-ND1 3.66Å; H173-H248 WeakPolarHBondContact NE2-CB 3.2Å; H173-H248 AromaticContact NE2-CG 3.56Å; H173-H248 AromaticContact NE2-ND1 3.07Å; H173-H248 PolarHBondContact NE2-ND1 2.82Å
174G98.9Very high98.6Very high0 Ų031.1 Ų31.10%016%0.16CC..SBendtrans-79.1-92.5-178.800000111L204 S207 R246G174-L204 WeakPolarHBondContact CA-O 3.46Å; G174-L204 PolarHBondContact N-O 2.74Å; G174-S207 CarbonylContact C-O 3.51Å; G174-R246 WeakPolarHBondContact O-CB 3.01Å; G174-R246 PolarHBondContact O-NE 3.41Å; G174-R246 PolarHBondContact O-NH2 2.81Å
175G98.7Very high98.6Very high0 Ų033.8 Ų33.80%017%0.172CC..  trans-176.1-146.6-175.300000113L204 S207G175-L204 WeakPolarHBondContact O-CD2 3.41Å; G175-S207 WeakPolarHBondContact CA-OG 3.24Å; G175-S207 PolarHBondContact N-OG 2.88Å; G175-S207 VanDerWaalsContact N-OG 3.14Å
176L98.8Very high98.6Very high2 Ų233.8 Ų33.81%0.0117%0.172CC..  trans-81.9159.3-176.8-60.8-177.9000111.8F170 S207 W216 F227 V231 V232 F235 I244F170-L176 HydrophobicContact CE1-CD2 4.34Å; L176-S207 PolarHBondContact N-OG 3.04Å; L176-S207 WeakPolarHBondContact O-CB 3.12Å; L176-S207 PolarHBondContact O-OG 3.36Å; L176-W216 VanDerWaalsContact C-CH2 3.49Å; L176-W216 HydrophobicContact CB-CH2 3.75Å; L176-W216 WeakPolarHBondContact O-CH2 3.42Å; L176-W216 WeakPolarHBondContact O-CZ3 3.34Å; L176-F227 HydrophobicContact CB-CD1 4.41Å; L176-F227 HydrophobicContact CB-CE1 4.43Å; L176-F227 HydrophobicContact CB-CG 4.47Å; L176-F227 HydrophobicContact CB-CZ 4.5Å; L176-F227 HydrophobicContact CD1-CD2 4.3Å; L176-F227 HydrophobicContact CD1-CE2 4.3Å; L176-F227 HydrophobicContact CG-CE2 4.23Å; L176-F227 HydrophobicContact CG-CZ 4.39Å; L176-V231 HydrophobicContact CD1-CG1 3.91Å; L176-V232 HydrophobicContact CD1-CG2 4.48Å; L176-F235 HydrophobicContact CD1-CB 3.77Å; L176-F235 HydrophobicContact CD1-CD1 4.25Å; L176-F235 HydrophobicContact CD1-CD2 4.43Å; L176-F235 HydrophobicContact CD1-CG 3.9Å; L176-F235 HydrophobicContact CD2-CD1 3.74Å; L176-F235 HydrophobicContact CD2-CD2 3.87Å; L176-F235 HydrophobicContact CD2-CE1 3.72Å; L176-F235 HydrophobicContact CD2-CE2 3.87Å; L176-F235 HydrophobicContact CD2-CG 3.79Å; L176-F235 HydrophobicContact CD2-CZ 3.76Å; L176-I244 HydrophobicContact CD1-CD1 3.75Å; L176-I244 HydrophobicContact CD2-CD1 3.82Å; L176-I244 HydrophobicContact CG-CD1 3.93Å
177S98.8Very high98.6Very high5 Ų536.4 Ų36.44%0.03518%0.178CC..  trans-119142.7171.71790000110.8D179 L180 D203 W216S177-D179 PolarHBondContact O-N 2.83Å; S177-D179 WeakPolarHBondContact OG-CB 3.24Å; S177-D179 PolarHBondContact OG-N 2.98Å; S177-L180 PolarHBondContact O-N 3.06Å; S177-L180 VanDerWaalsContact O-N 3.09Å; S177-D203 VanDerWaalsContact CB-CB 3.48Å; S177-D203 WeakPolarHBondContact CB-OD2 3.46Å; S177-D203 PolarHBondContact OG-OD2 2.96Å; S177-W216 VanDerWaalsContact C-CZ2 3.4Å
178P98.4Very high98.6Very high38 Ų3837.4 Ų37.425%0.24718%0.175CC..THydrogen-bonded Turntrans-61.4-25.416826.2-33.7000111.7L180 Q181 W216 F225P178-L180 VanDerWaalsContact C-N 3.33Å; P178-Q181 PolarHBondContact O-NE2 2.89Å; P178-W216 VanDerWaalsContact CA-CZ2 3.43Å; P178-W216 HydrophobicContact CB-CD2 4.07Å; P178-W216 HydrophobicContact CB-CG 4.47Å; P178-W216 HydrophobicContact CB-CZ2 3.97Å; P178-W216 HydrophobicContact CG-CD2 4.41Å; P178-W216 HydrophobicContact CG-CE3 4.5Å; P178-F225 HydrophobicContact CG-CD2 3.99Å; P178-F225 HydrophobicContact CG-CE2 3.85Å; P178-F225 HydrophobicContact CG-CZ 4.48Å
179D98.1Very high98.6Very high81 Ų8136.7 Ų36.743%0.43317%0.174SC..THydrogen-bonded Turntrans-79.7-14.2177.4-65-17.9000112.7S177 Q181 Q185 L200S177-D179 PolarHBondContact O-N 2.83Å; S177-D179 WeakPolarHBondContact OG-CB 3.24Å; S177-D179 PolarHBondContact OG-N 2.98Å; D179-Q181 PolarHBondContact O-N 3.24Å; D179-Q181 VanDerWaalsContact O-N 3.13Å; D179-Q185 PolarHBondContact O-NE2 3.07Å; D179-Q185 PolarHBondContact O-OE1 3.49Å; D179-L200 HydrophobicContact CB-CB 4.27Å
180L98.6Very high98.6Very high7 Ų743.7 Ų43.74%0.03721%0.209CC..  trans-80.896.5-178.6-176.357.4000111.1F170 S177 P178 S182 I186 L200 L204 F235F170-L180 HydrophobicContact CZ-CD2 4.29Å; S177-L180 PolarHBondContact O-N 3.06Å; S177-L180 VanDerWaalsContact O-N 3.09Å; P178-L180 VanDerWaalsContact C-N 3.33Å; L180-S182 WeakPolarHBondContact CD1-O 3.36Å; L180-I186 HydrophobicContact CD1-CD1 3.86Å; L180-I186 HydrophobicContact CD1-CG1 3.74Å; L180-I186 HydrophobicContact CD2-CD1 4.12Å; L180-L200 HydrophobicContact CB-CD1 3.72Å; L180-L200 HydrophobicContact CD1-CD1 4.09Å; L180-L200 HydrophobicContact CG-CD1 4.36Å; L180-L204 HydrophobicContact CD2-CD2 4.27Å; L180-F235 HydrophobicContact CD2-CE2 3.62Å; L180-F235 HydrophobicContact CD2-CZ 4.09Å; L180-F235 HydrophobicContact CG-CE2 4.11Å
181Q97.4Very high98.6Very high104 Ų10445.6 Ų45.649%0.48622%0.216SC..SBendtrans-108.1-25.7178.2-58.5-57.4-37.700113.1P178 D179 K238 H239P178-Q181 PolarHBondContact O-NE2 2.89Å; D179-Q181 PolarHBondContact O-N 3.24Å; D179-Q181 VanDerWaalsContact O-N 3.13Å; Q181-K238 WeakPolarHBondContact O-CE 3.39Å; Q181-K238 PolarHBondContact O-NZ 2.99Å; Q181-H239 PolarHBondContact O-CE1 2.86Å
182S98.4Very high98.6Very high55 Ų5549.1 Ų49.139%0.38524%0.239SC..  trans-145.8141.7177175.30000110.2L180 E184 Q185L180-S182 WeakPolarHBondContact CD1-O 3.36Å; S182-E184 PolarHBondContact O-N 3.04Å; S182-E184 VanDerWaalsContact O-N 3.08Å; S182-E184 WeakPolarHBondContact OG-CB 3.38Å; S182-E184 PolarHBondContact OG-N 2.92Å; S182-Q185 WeakPolarHBondContact O-CB 3.27Å; S182-Q185 PolarHBondContact O-N 3.34Å
183M98.6Very high98.6Very high15 Ų1551.2 Ų51.27%0.07425%0.252CS..Hα-helixtrans-58-23.3173.9-62.8-55.8178.100112.5L52 I164 F170 Q185 I186 R187 F235 H239 L241L52-M183 HydrophobicContact CD2-CB 3.82Å; L52-M183 HydrophobicContact CD2-CG 4.43Å; L52-M183 HydrophobicContact CD2-SD 4.5Å; I164-M183 HydrophobicContact CD1-CE 4.26Å; I164-M183 HydrophobicContact CD1-CG 4.24Å; I164-M183 HydrophobicContact CD1-SD 4.24Å; F170-M183 HydrophobicContact CD2-CE 3.82Å; F170-M183 HydrophobicContact CD2-SD 4.21Å; F170-M183 HydrophobicContact CE2-CE 4.1Å; F170-M183 HydrophobicContact CE2-SD 3.96Å; M183-Q185 PolarHBondContact O-N 3.21Å; M183-I186 WeakPolarHBondContact O-CB 3.45Å; M183-I186 PolarHBondContact O-N 2.76Å; M183-I186 HydrophobicContact SD-CD1 4.06Å; M183-R187 PolarHBondContact O-N 3.18Å; M183-R187 VanDerWaalsContact O-N 3.11Å; M183-F235 HydrophobicContact CE-CE1 4.36Å; M183-F235 HydrophobicContact CE-CE2 4.09Å; M183-F235 HydrophobicContact CE-CZ 3.52Å; M183-H239 HydrophobicContact CE-CB 4.25Å; M183-L241 HydrophobicContact CE-CD1 3.94Å
184E98.6Very high98.6Very high72 Ų7254.9 Ų54.934%0.33627%0.271SS..Hα-helixtrans-62.2-27174.1-174.657.5-166.700113S182 I186 R187 R188S182-E184 PolarHBondContact O-N 3.04Å; S182-E184 VanDerWaalsContact O-N 3.08Å; S182-E184 WeakPolarHBondContact OG-CB 3.38Å; S182-E184 PolarHBondContact OG-N 2.92Å; E184-I186 VanDerWaalsContact C-N 3.31Å; E184-R187 PolarHBondContact O-N 3.36Å; E184-R188 HydrophobicContact CG-CG 4.48Å; E184-R188 WeakPolarHBondContact O-CB 3.48Å; E184-R188 VanDerWaalsContact O-CG 3.26Å; E184-R188 WeakPolarHBondContact O-CG 3.38Å; E184-R188 PolarHBondContact O-N 3.37Å; E184-R188 IonicContact OE1-CZ 3.44Å; E184-R188 IonicContact OE1-NE 2.62Å; E184-R188 PolarHBondContact OE1-NE 3.46Å; E184-R188 IonicContact OE1-NH2 2.94Å; E184-R188 PolarHBondContact OE1-NH2 2.96Å
185Q98.8Very high98.5Very high68 Ų6855.6 Ų55.632%0.31828%0.276SS..Hα-helixtrans-65.8-36.8173.6-65.4172.3-93.300111.5D179 S182 M183 L200D179-Q185 PolarHBondContact O-NE2 3.07Å; D179-Q185 PolarHBondContact O-OE1 3.49Å; S182-Q185 WeakPolarHBondContact O-CB 3.27Å; S182-Q185 PolarHBondContact O-N 3.34Å; M183-Q185 PolarHBondContact O-N 3.21Å; Q185-L200 HydrophobicContact CB-CD2 3.71Å
186I98.8Very high98.5Very high0 Ų058.2 Ų58.20%029%0.293CS..Hα-helixtrans-66.7-47.8173.4-55.2-177.8000109.4I51 L52 I161 A162 F170 L180 M183 E184 R188 V189 L204I51-I186 WeakPolarHBondContact CG2-O 3.45Å; L52-I186 HydrophobicContact CB-CB 4.5Å; L52-I186 HydrophobicContact CB-CG2 3.88Å; L52-I186 HydrophobicContact CD1-CG2 4.42Å; I161-I186 HydrophobicContact CD1-CG2 3.75Å; I161-I186 HydrophobicContact CG1-CG2 3.67Å; A162-I186 HydrophobicContact CB-CD1 4.33Å; A162-I186 HydrophobicContact CB-CG2 4.38Å; F170-I186 HydrophobicContact CE2-CD1 3.86Å; F170-I186 HydrophobicContact CZ-CD1 4.02Å; L180-I186 HydrophobicContact CD1-CD1 3.86Å; L180-I186 HydrophobicContact CD1-CG1 3.74Å; L180-I186 HydrophobicContact CD2-CD1 4.12Å; M183-I186 WeakPolarHBondContact O-CB 3.45Å; M183-I186 PolarHBondContact O-N 2.76Å; M183-I186 HydrophobicContact SD-CD1 4.06Å; E184-I186 VanDerWaalsContact C-N 3.31Å; I186-R188 PolarHBondContact O-N 3.18Å; I186-V189 WeakPolarHBondContact O-CB 3.24Å; I186-V189 PolarHBondContact O-N 3.06Å; I186-V189 VanDerWaalsContact O-N 3.12Å; I186-L204 HydrophobicContact CD1-CD1 4.14Å; I186-L204 HydrophobicContact CD1-CD2 4.45Å; I186-L204 HydrophobicContact CG1-CD1 4.12Å
187R98.7Very high98.3Very high110 Ų11064.5 Ų64.542%0.41533%0.326SS..Hα-helixtrans-59.7-29.7-178.6-65.2-171.9-174.698.43.1113.8L52 E54 M183 E184L52-R187 HydrophobicContact CB-CG 4.05Å; L52-R187 HydrophobicContact CD2-CG 4Å; E54-R187 IonicContact OE1-CZ 3.49Å; E54-R187 IonicContact OE1-NE 3.3Å; E54-R187 IonicContact OE1-NH2 3.75Å; E54-R187 PolarHBondContact OE1-NH2 2.89Å; M183-R187 PolarHBondContact O-N 3.18Å; M183-R187 VanDerWaalsContact O-N 3.11Å; E184-R187 PolarHBondContact O-N 3.36Å
188R98.5Very high98.3Very high176 Ų17671.3 Ų71.366%0.66436%0.358SS*.THydrogen-bonded Turntrans-83-7.5-179.8-72.1175.2-173.2-175.75.3114.7E184 I186 M190E184-R188 HydrophobicContact CG-CG 4.48Å; E184-R188 WeakPolarHBondContact O-CB 3.48Å; E184-R188 VanDerWaalsContact O-CG 3.26Å; E184-R188 WeakPolarHBondContact O-CG 3.38Å; E184-R188 PolarHBondContact O-N 3.37Å; E184-R188 IonicContact OE1-CZ 3.44Å; E184-R188 IonicContact OE1-NE 2.62Å; E184-R188 PolarHBondContact OE1-NE 3.46Å; E184-R188 IonicContact OE1-NH2 2.94Å; E184-R188 PolarHBondContact OE1-NH2 2.96Å; I186-R188 PolarHBondContact O-N 3.18Å; R188-M190 PolarHBondContact O-N 3.44Å
189V98.6Very high98.3Very high32 Ų3270.5 Ų70.519%0.19436%0.356CS..  trans-66.3116.7174.5175.80000108.7I51 I161 I186 T193 L201I51-V189 HydrophobicContact CD1-CB 3.72Å; I51-V189 HydrophobicContact CD1-CG1 3.64Å; I161-V189 HydrophobicContact CD1-CB 4.41Å; I161-V189 HydrophobicContact CD1-CG1 4.48Å; I161-V189 HydrophobicContact CD1-CG2 4.27Å; I186-V189 WeakPolarHBondContact O-CB 3.24Å; I186-V189 PolarHBondContact O-N 3.06Å; I186-V189 VanDerWaalsContact O-N 3.12Å; V189-T193 HydrophobicContact CG1-CG2 4.13Å; V189-L201 HydrophobicContact CG1-CD2 4.49Å
190M98.6Very high98.3Very high152 Ų15267.8 Ų67.875%0.74934%0.341SS*.  trans-79.1142.2-179.3-65.6-61.2-66.700110.9R188 T193R188-M190 PolarHBondContact O-N 3.44Å; M190-T193 WeakPolarHBondContact O-CB 3.34Å; M190-T193 WeakPolarHBondContact O-CG2 3.26Å
191R98.8Very high98.3Very high41 Ų4168 Ų6816%0.15534%0.342CS..SBendtrans-117.4148.8173.8-69.2176.5-67.21625.5110.5F46 L47 Q49 I51 C158 L159F46-R191 VanDerWaalsContact O-CZ 3.26Å; F46-R191 PolarHBondContact O-NH1 3.27Å; F46-R191 PolarHBondContact O-NH2 2.92Å; L47-R191 HydrophobicContact CD2-CB 3.7Å; Q49-R191 PolarHBondContact O-NH2 3.02Å; I51-R191 HydrophobicContact CD1-CG 3.77Å; I51-R191 HydrophobicContact CG1-CG 4.31Å; C158-R191 VanDerWaalsContact O-CD 3.26Å; C158-R191 WeakPolarHBondContact O-CD 3.49Å; C158-R191 PolarHBondContact O-NH1 3.07Å; L159-R191 WeakPolarHBondContact O-CD 3.35Å
192P98.8Very high98.4Very high74 Ų7463 Ų6348%0.48132%0.319SS..SBendcis-70.2143.7-2.128.7-34.4000113N157N157-P192 HydrophobicContact CB-CB 3.86Å; N157-P192 VanDerWaalsContact O-CA 3.25Å; N157-P192 WeakPolarHBondContact O-CA 3.34Å
193T98.6Very high98.4Very high44 Ų4460.4 Ų60.427%0.2730%0.301SS..  trans-141.7147.9174.5-172.70000110.7R122 N157 V189 M190 L201R122-T193 PolarHBondContact NH1-O 3Å; N157-T193 WeakPolarHBondContact CA-O 3.28Å; N157-T193 WeakPolarHBondContact CB-O 3.38Å; N157-T193 VanDerWaalsContact CG-O 3.31Å; N157-T193 PolarHBondContact O-N 3.02Å; N157-T193 PolarHBondContact OD1-O 2.98Å; V189-T193 HydrophobicContact CG1-CG2 4.13Å; M190-T193 WeakPolarHBondContact O-CB 3.34Å; M190-T193 WeakPolarHBondContact O-CG2 3.26Å; T193-L201 HydrophobicContact CG2-CD2 3.74Å
194D98.3Very high98.4Very high77 Ų7759.7 Ų59.741%0.41230%0.298SS..PPolyproline II helixtrans-79.9168.1166.6-155.31.1000110.1
195V98.3Very high98.4Very high15 Ų1556.3 Ų56.39%0.09128%0.282CS..PPolyproline II helixtrans-85.3117.7173.6-176.50000108.4C127 L205C127-V195 HydrophobicContact CB-CB 4.04Å; C127-V195 HydrophobicContact CB-CG2 3.66Å; V195-L205 HydrophobicContact CG1-CD2 4.23Å; V195-L205 HydrophobicContact CG2-CD2 3.69Å
196P97.8Very high98.4Very high55 Ų5554.7 Ų54.736%0.35727%0.273SS..PPolyproline II helixtrans-67.7164.5176.330.6-35.3000111Q198 L201 C202P196-Q198 VanDerWaalsContact C-N 3.3Å; P196-Q198 WeakPolarHBondContact CG-O 3.34Å; P196-L201 HydrophobicContact CG-CB 4.15Å; P196-C202 HydrophobicContact CG-CB 4.37Å; P196-C202 WeakPolarHBondContact O-CB 3.1Å
197D95.6Very high98.4Very high134 Ų13454.7 Ų54.772%0.71727%0.273SS*.SBendtrans-73.4-20.6175.255.8-6.6000113.3C202D197-C202 PolarHBondContact O-SG 3.42Å; D197-C202 VanDerWaalsContact O-SG 3.33Å
198Q97.4Very high98.4Very high148 Ų14849.7 Ų49.769%0.69225%0.254SS*.SBendtrans-149.4168.9178.363.6-177.3-4.800112.9P196P196-Q198 VanDerWaalsContact C-N 3.3Å; P196-Q198 WeakPolarHBondContact CG-O 3.34Å
199G98.3Very high98.4Very high21 Ų2142.1 Ų42.122%0.21623%0.228CC..SBendtrans87.9-178.1175.600000113.7L201 C202 D203G199-L201 PolarHBondContact O-N 3.24Å; G199-C202 WeakPolarHBondContact O-CA 3.11Å; G199-C202 VanDerWaalsContact O-CB 3.27Å; G199-C202 WeakPolarHBondContact O-CB 3.45Å; G199-C202 PolarHBondContact O-N 3.3Å; G199-D203 PolarHBondContact O-N 3.48Å
200L98.6Very high98.4Very high23 Ų2343.1 Ų43.112%0.1223%0.232CC..Hα-helixtrans-40.3-52.6-169.8179.261.1000116.1D179 L180 Q185 D203 L204D179-L200 HydrophobicContact CB-CB 4.27Å; L180-L200 HydrophobicContact CB-CD1 3.72Å; L180-L200 HydrophobicContact CD1-CD1 4.09Å; L180-L200 HydrophobicContact CG-CD1 4.36Å; Q185-L200 HydrophobicContact CB-CD2 3.71Å; L200-D203 PolarHBondContact O-N 3.32Å; L200-L204 HydrophobicContact CD1-CD1 3.98Å; L200-L204 HydrophobicContact CD1-CG 4.12Å; L200-L204 HydrophobicContact CG-CD1 4.13Å; L200-L204 VanDerWaalsContact O-CG 3.32Å; L200-L204 WeakPolarHBondContact O-CG 3.29Å; L200-L204 PolarHBondContact O-N 3.11Å
201L98.8Very high98.3Very high11 Ų1143.7 Ų43.76%0.05823%0.23CC..Hα-helixtrans-69.1-35.6-177.8176.859.9000112.2I161 V189 T193 P196 G199 L205I161-L201 HydrophobicContact CB-CD1 4.16Å; I161-L201 HydrophobicContact CD1-CD1 3.78Å; I161-L201 HydrophobicContact CG2-CD1 3.66Å; V189-L201 HydrophobicContact CG1-CD2 4.49Å; T193-L201 HydrophobicContact CG2-CD2 3.74Å; P196-L201 HydrophobicContact CG-CB 4.15Å; G199-L201 PolarHBondContact O-N 3.24Å; L201-L205 HydrophobicContact CD1-CD1 4.05Å
202C98.8Very high98.2Very high0 Ų048 Ų480%026%0.257CS..Hα-helixtrans-61.9-50172.8-178.10000109.4P196 D197 G199 L204 L205 W206 V223P196-C202 HydrophobicContact CG-CB 4.37Å; P196-C202 WeakPolarHBondContact O-CB 3.1Å; D197-C202 PolarHBondContact O-SG 3.42Å; D197-C202 VanDerWaalsContact O-SG 3.33Å; G199-C202 WeakPolarHBondContact O-CA 3.11Å; G199-C202 VanDerWaalsContact O-CB 3.27Å; G199-C202 WeakPolarHBondContact O-CB 3.45Å; G199-C202 PolarHBondContact O-N 3.3Å; C202-L204 PolarHBondContact O-N 2.73Å; C202-L205 CarbonylContact O-C 3.59Å; C202-L205 PolarHBondContact O-N 2.98Å; C202-W206 WeakPolarHBondContact O-CB 3.21Å; C202-W206 VanDerWaalsContact O-CD1 3.29Å; C202-W206 PolarHBondContact O-N 3.46Å; C202-V223 WeakPolarHBondContact SG-CG2 3.42Å
203D98.9Very high98.1Very high1 Ų145.8 Ų45.81%0.00524%0.241CC..Hα-helixtrans-64.9-38.6-174.3-59.3-27.5000114S177 G199 L200 L205 W206 S207 S224S177-D203 VanDerWaalsContact CB-CB 3.48Å; S177-D203 WeakPolarHBondContact CB-OD2 3.46Å; S177-D203 PolarHBondContact OG-OD2 2.96Å; G199-D203 PolarHBondContact O-N 3.48Å; L200-D203 PolarHBondContact O-N 3.32Å; D203-L205 PolarHBondContact O-N 2.88Å; D203-L205 VanDerWaalsContact O-N 3.14Å; D203-W206 PolarHBondContact O-N 3.39Å; D203-S207 WeakPolarHBondContact O-CB 3.39Å; D203-S207 PolarHBondContact O-N 3.38Å; D203-S207 PolarHBondContact O-OG 2.82Å; D203-S224 VanDerWaalsContact CA-OG 3.26Å; D203-S224 WeakPolarHBondContact CA-OG 3.18Å; D203-S224 WeakPolarHBondContact OD1-CB 3.37Å; D203-S224 PolarHBondContact OD1-OG 2.76Å
204L98.9Very high98Very high0 Ų051.2 Ų51.20%027%0.268CS..Hα-helixtrans-61-20.9174.5-74172.4000113I161 F170 C172 G174 G175 L180 I186 L200 C202I161-L204 HydrophobicContact CD1-CD1 3.89Å; I161-L204 HydrophobicContact CG1-CD1 4.26Å; F170-L204 HydrophobicContact CE1-CD2 4.39Å; F170-L204 HydrophobicContact CZ-CD2 3.94Å; C172-L204 HydrophobicContact CB-CD2 4.44Å; G174-L204 WeakPolarHBondContact CA-O 3.46Å; G174-L204 PolarHBondContact N-O 2.74Å; G175-L204 WeakPolarHBondContact O-CD2 3.41Å; L180-L204 HydrophobicContact CD2-CD2 4.27Å; I186-L204 HydrophobicContact CD1-CD1 4.14Å; I186-L204 HydrophobicContact CD1-CD2 4.45Å; I186-L204 HydrophobicContact CG1-CD1 4.12Å; L200-L204 HydrophobicContact CD1-CD1 3.98Å; L200-L204 HydrophobicContact CD1-CG 4.12Å; L200-L204 HydrophobicContact CG-CD1 4.13Å; L200-L204 VanDerWaalsContact O-CG 3.32Å; L200-L204 WeakPolarHBondContact O-CG 3.29Å; L200-L204 PolarHBondContact O-N 3.11Å; C202-L204 PolarHBondContact O-N 2.73Å
205L98.8Very high97.9Very high0 Ų048.6 Ų48.60%026%0.259CS..Hα-helixtrans-107.8-15.1-179.4-86.262.9000113.1R122 G123 N124 I161 H173 V195 L201 C202 D203R122-L205 HydrophobicContact CB-CD2 4.45Å; R122-L205 HydrophobicContact CG-CD2 4.1Å; G123-L205 WeakPolarHBondContact O-CD2 3.28Å; N124-L205 HydrophobicContact CB-CB 4.27Å; I161-L205 HydrophobicContact CB-CD1 4.49Å; H173-L205 PolarHBondContact CD2-O 3.11Å; V195-L205 HydrophobicContact CG1-CD2 4.23Å; V195-L205 HydrophobicContact CG2-CD2 3.69Å; L201-L205 HydrophobicContact CD1-CD1 4.05Å; C202-L205 CarbonylContact O-C 3.59Å; C202-L205 PolarHBondContact O-N 2.98Å; D203-L205 PolarHBondContact O-N 2.88Å; D203-L205 VanDerWaalsContact O-N 3.14Å
206W98.8Very high98Very high34 Ų3452.1 Ų52.113%0.12927%0.271CS..Hα-helixtrans-129.4-19.3-169.8-76.6100.8000116.1N124 I130 C202 D203 N219 V223 H248N124-W206 HydrophobicContact CB-CD2 3.88Å; N124-W206 VanDerWaalsContact CB-CE2 3.46Å; N124-W206 HydrophobicContact CB-CE3 4.45Å; N124-W206 HydrophobicContact CB-CG 4.33Å; N124-W206 HydrophobicContact CB-CH2 4.36Å; N124-W206 HydrophobicContact CB-CZ2 3.74Å; N124-W206 WeakPolarHBondContact ND2-CH2 3.44Å; N124-W206 WeakPolarHBondContact ND2-CZ2 3.38Å; N124-W206 WeakPolarHBondContact ND2-CZ3 3.14Å; I130-W206 HydrophobicContact CD1-CH2 3.75Å; I130-W206 HydrophobicContact CD1-CZ2 3.62Å; I130-W206 HydrophobicContact CG1-CH2 4.28Å; I130-W206 HydrophobicContact CG1-CZ2 3.79Å; C202-W206 WeakPolarHBondContact O-CB 3.21Å; C202-W206 VanDerWaalsContact O-CD1 3.29Å; C202-W206 PolarHBondContact O-N 3.46Å; D203-W206 PolarHBondContact O-N 3.39Å; W206-N219 PolarHBondContact O-ND2 3.31Å; W206-V223 HydrophobicContact CB-CG1 4.32Å; W206-V223 HydrophobicContact CB-CG2 4.41Å; W206-V223 HydrophobicContact CD2-CG1 3.56Å; W206-V223 HydrophobicContact CD2-CG2 4.24Å; W206-V223 HydrophobicContact CE3-CG1 3.27Å; W206-V223 HydrophobicContact CG-CG1 4.06Å; W206-V223 HydrophobicContact CG-CG2 4.1Å; W206-V223 HydrophobicContact CH2-CG1 4.26Å; W206-V223 HydrophobicContact CZ3-CG1 3.66Å; W206-H248 AromaticContact CE3-CE1 3.85Å; W206-H248 AromaticContact CE3-NE2 3.98Å
207S98.9Very high98Very high0 Ų050.4 Ų50.40%026%0.263CS..  trans-71.7151.8-176.161.70000112.3G174 G175 L176 D203 F225 R246G174-S207 CarbonylContact C-O 3.51Å; G175-S207 WeakPolarHBondContact CA-OG 3.24Å; G175-S207 PolarHBondContact N-OG 2.88Å; G175-S207 VanDerWaalsContact N-OG 3.14Å; L176-S207 PolarHBondContact N-OG 3.04Å; L176-S207 WeakPolarHBondContact O-CB 3.12Å; L176-S207 PolarHBondContact O-OG 3.36Å; D203-S207 WeakPolarHBondContact O-CB 3.39Å; D203-S207 PolarHBondContact O-N 3.38Å; D203-S207 PolarHBondContact O-OG 2.82Å; S207-F225 WeakPolarHBondContact CA-O 3.22Å; S207-F225 VanDerWaalsContact CB-O 3.29Å; S207-F225 WeakPolarHBondContact CB-O 3.37Å; S207-R246 PolarHBondContact O-NH2 2.83Å
208D98.8Very high98Very high5 Ų552.7 Ų52.73%0.02727%0.269CS..EExtended strand (participates in β ladder)trans-128143.8-177.5-73.2-54.2000112.4N219 R221 F225 T226 F227 R246 H248 Q249D208-N219 PolarHBondContact OD2-ND2 2.79Å; D208-R221 IonicContact OD1-NH2 2.85Å; D208-R221 IonicContact OD2-CZ 3.49Å; D208-R221 IonicContact OD2-NE 3.64Å; D208-R221 PolarHBondContact OD2-NE 2.7Å; D208-R221 IonicContact OD2-NH2 2.75Å; D208-R221 PolarHBondContact OD2-NH2 3.44Å; D208-F225 PolarHBondContact N-O 3.06Å; D208-T226 HydrophobicContact CB-CG2 4.47Å; D208-T226 CarbonylContact O-C 3.48Å; D208-T226 WeakPolarHBondContact O-CA 3.28Å; D208-F227 VanDerWaalsContact C-CE1 3.41Å; D208-F227 VanDerWaalsContact O-CD1 3.28Å; D208-F227 WeakPolarHBondContact O-CD1 3.38Å; D208-F227 WeakPolarHBondContact O-CE1 3.49Å; D208-F227 PolarHBondContact O-N 3.46Å; D208-R246 IonicContact OD1-CZ 3.94Å; D208-R246 IonicContact OD1-NH1 2.75Å; D208-R246 PolarHBondContact OD1-NH1 3.41Å; D208-R246 IonicContact OD1-NH2 3.56Å; D208-R246 PolarHBondContact OD1-NH2 3.37Å; D208-H248 IonicContact OD1-CD2 3.96Å; D208-H248 PolarHBondContact OD1-CD2 2.99Å; D208-H248 VanDerWaalsContact OD1-CD2 3.3Å; D208-H248 IonicContact OD2-CD2 3.21Å; D208-Q249 VanDerWaalsContact OD1-CG 3.24Å; D208-Q249 WeakPolarHBondContact OD1-CG 3.19Å; D208-Q249 PolarHBondContact OD1-NE2 2.72Å; D208-Q249 PolarHBondContact OD1-OE1 2.77Å
209P98.7Very high98Very high17 Ų1746.3 Ų46.311%0.1124%0.24CC..EExtended strand (participates in β ladder)trans-70.1140.216830.4-34000110.9F227 F258 L263P209-F227 WeakPolarHBondContact CA-O 3.19Å; P209-F227 HydrophobicContact CB-CE2 3.98Å; P209-F227 HydrophobicContact CB-CZ 4.1Å; P209-F258 HydrophobicContact CB-CD1 3.71Å; P209-F258 HydrophobicContact CB-CD2 4.27Å; P209-F258 HydrophobicContact CB-CE1 3.77Å; P209-F258 HydrophobicContact CB-CE2 4.33Å; P209-F258 HydrophobicContact CB-CG 3.96Å; P209-F258 HydrophobicContact CB-CZ 4.08Å; P209-L263 HydrophobicContact CB-CD1 4.37Å; P209-L263 HydrophobicContact CB-CD2 4.47Å; P209-L263 HydrophobicContact CG-CD2 4.09Å
210D98.4Very high97.9Very high53 Ų5353.5 Ų53.528%0.28327%0.274SS..  trans-137129.5173.6-169.5-27.3000110.3D212 V213 T226 F227 G228D210-D212 VanDerWaalsContact C-N 3.34Å; D210-D212 PolarHBondContact OD1-N 3.31Å; D210-V213 HydrophobicContact CB-CB 4.01Å; D210-V213 HydrophobicContact CB-CG2 3.67Å; D210-T226 HydrophobicContact CB-CG2 4.13Å; D210-F227 PolarHBondContact N-O 2.98Å; D210-G228 WeakPolarHBondContact O-CA 3.47Å
211K96.5Very high97.7Very high164 Ų16457.5 Ų57.571%0.71329%0.287SS*.SBendtrans-74.7-24.6-178.465.8-178.9-179.9-174.70113.2F258K211-F258 HydrophobicContact CB-CE2 4.04Å
212D96.9Very high97.6Very high133 Ų13360.6 Ų60.671%0.71132%0.322SS*.SBendtrans-94.5-5-174.8-62.2-46.1000111.3D210D210-D212 VanDerWaalsContact C-N 3.34Å; D210-D212 PolarHBondContact OD1-N 3.31Å
213V96.4Very high97.5Very high26 Ų2661.9 Ų61.916%0.15833%0.33CS..  trans-93.2132.7177.9172.10000111.8D210 G228D210-V213 HydrophobicContact CB-CB 4.01Å; D210-V213 HydrophobicContact CB-CG2 3.67Å; V213-G228 VanDerWaalsContact O-CA 3.26Å; V213-G228 WeakPolarHBondContact O-CA 3.47Å
214L95.6Very high97.5Very high159 Ų15962.9 Ų62.983%0.83234%0.337SS*.SBendtrans-98.6117.5167.8-63.5176000109.4W216L214-W216 PolarHBondContact O-N 2.76Å
215G97.8Very high97.5Very high21 Ų2166.8 Ų66.822%0.21635%0.354CS..SBendtrans74.2-118.5-175.500000111.6F227 G228 V231G215-F227 WeakPolarHBondContact O-CA 3.34Å; G215-G228 PolarHBondContact O-N 3.38Å; G215-V231 WeakPolarHBondContact O-CG2 3.44Å
216W98.6Very high97.5Very high90 Ų9067.2 Ų67.234%0.34136%0.356SS..EExtended strand (participates in β ladder)trans-113.8139.7-179.8-62.895.9000110.5L176 S177 P178 L214 F225 T226 F227 V231L176-W216 VanDerWaalsContact C-CH2 3.49Å; L176-W216 HydrophobicContact CB-CH2 3.75Å; L176-W216 WeakPolarHBondContact O-CH2 3.42Å; L176-W216 WeakPolarHBondContact O-CZ3 3.34Å; S177-W216 VanDerWaalsContact C-CZ2 3.4Å; P178-W216 VanDerWaalsContact CA-CZ2 3.43Å; P178-W216 HydrophobicContact CB-CD2 4.07Å; P178-W216 HydrophobicContact CB-CG 4.47Å; P178-W216 HydrophobicContact CB-CZ2 3.97Å; P178-W216 HydrophobicContact CG-CD2 4.41Å; P178-W216 HydrophobicContact CG-CE3 4.5Å; L214-W216 PolarHBondContact O-N 2.76Å; W216-F225 HydrophobicContact CE3-CB 3.71Å; W216-F225 HydrophobicContact CE3-CG 4.28Å; W216-F225 HydrophobicContact CZ3-CB 4.22Å; W216-T226 CarbonylContact C-O 3.59Å; W216-T226 WeakPolarHBondContact CA-O 3.4Å; W216-F227 HydrophobicContact CD2-CB 4.38Å; W216-F227 HydrophobicContact CE3-CB 3.77Å; W216-F227 HydrophobicContact CH2-CB 4.11Å; W216-F227 HydrophobicContact CZ3-CB 3.64Å; W216-F227 HydrophobicContact CZ3-CD1 4.07Å; W216-F227 HydrophobicContact CZ3-CG 4.18Å; W216-V231 HydrophobicContact CH2-CG1 4.06Å; W216-V231 HydrophobicContact CZ2-CG1 3.55Å
217G98.1Very high97.5Very high19 Ų1965.6 Ų65.620%0.19635%0.35CS..EExtended strand (participates in β ladder)trans-131.3172.8179.900000112.6F225 T226G217-F225 WeakPolarHBondContact O-CA 3.13Å; G217-T226 VanDerWaalsContact CA-OG1 3.27Å; G217-T226 WeakPolarHBondContact CA-OG1 3.16Å; G217-T226 PolarHBondContact N-O 2.94Å; G217-T226 PolarHBondContact O-N 3.06Å; G217-T226 PolarHBondContact O-OG1 3.01Å
218E96.5Very high97.5Very high181 Ų18165.6 Ų65.685%0.84635%0.35SS*.EExtended strand (participates in β ladder)trans-66.9148.9170.3-65.4-173.8166.600110.2T226E218-T226 WeakPolarHBondContact O-CG2 3.24Å; E218-T226 PolarHBondContact O-OG1 3.33Å
219N97.6Very high97.5Very high15 Ų1568.2 Ų68.28%0.0837%0.369CS..  trans-108.1125.8175.5-168.1-37.9000109.8W206 D208 R221 G222 V223 F225 T226W206-N219 PolarHBondContact O-ND2 3.31Å; D208-N219 PolarHBondContact OD2-ND2 2.79Å; N219-R221 PolarHBondContact O-N 2.87Å; N219-R221 WeakPolarHBondContact OD1-CB 3.37Å; N219-R221 VanDerWaalsContact OD1-CG 3.25Å; N219-R221 WeakPolarHBondContact OD1-CG 3.43Å; N219-R221 PolarHBondContact OD1-N 2.95Å; N219-G222 PolarHBondContact O-N 2.94Å; N219-V223 WeakPolarHBondContact CB-O 3.43Å; N219-F225 PolarHBondContact ND2-O 3.43Å; N219-T226 HydrophobicContact CB-CG2 4.23Å
220D95.8Very high97.5Very high172 Ų17272 Ų7292%0.9239%0.385SS*.THydrogen-bonded Turntrans-60-16.1-180-73.5-16.2000113.5G222D220-G222 PolarHBondContact O-N 3.06Å
221R94.9Very high97.5Very high106 Ų10670.4 Ų70.440%0.438%0.377SS..THydrogen-bonded Turntrans-68.7-13.2171.6-62.1177.2-171-95.314.8113.1D208 N219 V223 H248D208-R221 IonicContact OD1-NH2 2.85Å; D208-R221 IonicContact OD2-CZ 3.49Å; D208-R221 IonicContact OD2-NE 3.64Å; D208-R221 PolarHBondContact OD2-NE 2.7Å; D208-R221 IonicContact OD2-NH2 2.75Å; D208-R221 PolarHBondContact OD2-NH2 3.44Å; N219-R221 PolarHBondContact O-N 2.87Å; N219-R221 WeakPolarHBondContact OD1-CB 3.37Å; N219-R221 VanDerWaalsContact OD1-CG 3.25Å; N219-R221 WeakPolarHBondContact OD1-CG 3.43Å; N219-R221 PolarHBondContact OD1-N 2.95Å; R221-V223 HydrophobicContact CB-CG1 3.93Å; R221-V223 PolarHBondContact O-N 2.75Å; R221-H248 PolarHBondContact NE-NE2 3.23Å; R221-H248 PolarHBondContact NH2-CD2 3.27Å; R221-H248 PolarHBondContact NH2-NE2 3.07Å; R221-H248 PolarHBondContact NH2-O 2.82Å
222G96.4Very high97.6Very high76 Ų7662.6 Ų62.678%0.78434%0.343SS*.SBendtrans72.916.7-175.800000113.7N219 D220N219-G222 PolarHBondContact O-N 2.94Å; D220-G222 PolarHBondContact O-N 3.06Å
223V97.1Very high97.7Very high28 Ų2858 Ų5817%0.1732%0.323CS..SBendtrans-146.5142.7179.759.70000109.6C202 W206 N219 R221C202-V223 WeakPolarHBondContact SG-CG2 3.42Å; W206-V223 HydrophobicContact CB-CG1 4.32Å; W206-V223 HydrophobicContact CB-CG2 4.41Å; W206-V223 HydrophobicContact CD2-CG1 3.56Å; W206-V223 HydrophobicContact CD2-CG2 4.24Å; W206-V223 HydrophobicContact CE3-CG1 3.27Å; W206-V223 HydrophobicContact CG-CG1 4.06Å; W206-V223 HydrophobicContact CG-CG2 4.1Å; W206-V223 HydrophobicContact CH2-CG1 4.26Å; W206-V223 HydrophobicContact CZ3-CG1 3.66Å; N219-V223 WeakPolarHBondContact CB-O 3.43Å; R221-V223 HydrophobicContact CB-CG1 3.93Å; R221-V223 PolarHBondContact O-N 2.75Å
224S98.3Very high97.8Very high22 Ų2262.7 Ų62.715%0.15434%0.342CS..SBendtrans56-151.8-176.1-167.30000113.2D203D203-S224 VanDerWaalsContact CA-OG 3.26Å; D203-S224 WeakPolarHBondContact CA-OG 3.18Å; D203-S224 WeakPolarHBondContact OD1-CB 3.37Å; D203-S224 PolarHBondContact OD1-OG 2.76Å
225F98.6Very high97.9Very high82 Ų8255.8 Ų55.836%0.3631%0.305SS..EExtended strand (participates in β ladder)trans-131.8160.8-169-59.2-81.7000111.9P178 S207 D208 W216 G217 N219P178-F225 HydrophobicContact CG-CD2 3.99Å; P178-F225 HydrophobicContact CG-CE2 3.85Å; P178-F225 HydrophobicContact CG-CZ 4.48Å; S207-F225 WeakPolarHBondContact CA-O 3.22Å; S207-F225 VanDerWaalsContact CB-O 3.29Å; S207-F225 WeakPolarHBondContact CB-O 3.37Å; D208-F225 PolarHBondContact N-O 3.06Å; W216-F225 HydrophobicContact CE3-CB 3.71Å; W216-F225 HydrophobicContact CE3-CG 4.28Å; W216-F225 HydrophobicContact CZ3-CB 4.22Å; G217-F225 WeakPolarHBondContact O-CA 3.13Å; N219-F225 PolarHBondContact ND2-O 3.43Å
226T98.8Very high98Very high9 Ų954.9 Ų54.96%0.05530%0.295CS..EExtended strand (participates in β ladder)trans-94.9152.9158.547.70000110.3D208 D210 W216 G217 E218 N219D208-T226 HydrophobicContact CB-CG2 4.47Å; D208-T226 CarbonylContact O-C 3.48Å; D208-T226 WeakPolarHBondContact O-CA 3.28Å; D210-T226 HydrophobicContact CB-CG2 4.13Å; W216-T226 CarbonylContact C-O 3.59Å; W216-T226 WeakPolarHBondContact CA-O 3.4Å; G217-T226 VanDerWaalsContact CA-OG1 3.27Å; G217-T226 WeakPolarHBondContact CA-OG1 3.16Å; G217-T226 PolarHBondContact N-O 2.94Å; G217-T226 PolarHBondContact O-N 3.06Å; G217-T226 PolarHBondContact O-OG1 3.01Å; E218-T226 WeakPolarHBondContact O-CG2 3.24Å; E218-T226 PolarHBondContact O-OG1 3.33Å; N219-T226 HydrophobicContact CB-CG2 4.23Å
227F98.9Very high98Very high0 Ų058.6 Ų58.60%032%0.316CS..EExtended strand (participates in β ladder)trans-136.3137.7177.459-89.1000113.8L176 D208 P209 D210 G215 W216 V231 V232 L263L176-F227 HydrophobicContact CB-CD1 4.41Å; L176-F227 HydrophobicContact CB-CE1 4.43Å; L176-F227 HydrophobicContact CB-CG 4.47Å; L176-F227 HydrophobicContact CB-CZ 4.5Å; L176-F227 HydrophobicContact CD1-CD2 4.3Å; L176-F227 HydrophobicContact CD1-CE2 4.3Å; L176-F227 HydrophobicContact CG-CE2 4.23Å; L176-F227 HydrophobicContact CG-CZ 4.39Å; D208-F227 VanDerWaalsContact C-CE1 3.41Å; D208-F227 VanDerWaalsContact O-CD1 3.28Å; D208-F227 WeakPolarHBondContact O-CD1 3.38Å; D208-F227 WeakPolarHBondContact O-CE1 3.49Å; D208-F227 PolarHBondContact O-N 3.46Å; P209-F227 WeakPolarHBondContact CA-O 3.19Å; P209-F227 HydrophobicContact CB-CE2 3.98Å; P209-F227 HydrophobicContact CB-CZ 4.1Å; D210-F227 PolarHBondContact N-O 2.98Å; G215-F227 WeakPolarHBondContact O-CA 3.34Å; W216-F227 HydrophobicContact CD2-CB 4.38Å; W216-F227 HydrophobicContact CE3-CB 3.77Å; W216-F227 HydrophobicContact CH2-CB 4.11Å; W216-F227 HydrophobicContact CZ3-CB 3.64Å; W216-F227 HydrophobicContact CZ3-CD1 4.07Å; W216-F227 HydrophobicContact CZ3-CG 4.18Å; F227-V231 HydrophobicContact CB-CB 4.19Å; F227-V231 HydrophobicContact CB-CG1 4.22Å; F227-V231 HydrophobicContact CB-CG2 4.31Å; F227-V232 HydrophobicContact CD2-CG2 3.87Å; F227-V232 HydrophobicContact CE2-CG2 3.71Å; F227-L263 HydrophobicContact CE2-CD1 3.77Å; F227-L263 HydrophobicContact CZ-CD1 3.99Å
228G98.7Very high98Very high0 Ų062.7 Ų62.70%033%0.329CS..  trans-80.9168.4-17800000114.6D210 V213 G215 E230 V231 V232D210-G228 WeakPolarHBondContact O-CA 3.47Å; V213-G228 VanDerWaalsContact O-CA 3.26Å; V213-G228 WeakPolarHBondContact O-CA 3.47Å; G215-G228 PolarHBondContact O-N 3.38Å; G228-E230 PolarHBondContact O-N 2.85Å; G228-E230 VanDerWaalsContact O-N 3.17Å; G228-V231 WeakPolarHBondContact O-CB 3.46Å; G228-V231 PolarHBondContact O-N 3.14Å; G228-V232 PolarHBondContact O-N 2.82Å
229S98.6Very high98.1Very high60 Ų6056.3 Ų56.342%0.4230%0.298SS..Hα-helixtrans-61-27.2179.460.20000114V231 V232 A233S229-V231 VanDerWaalsContact C-N 3.35Å; S229-V232 PolarHBondContact O-N 3.24Å; S229-A233 PolarHBondContact O-N 3.39Å
230E98.3Very high98.2Very high97 Ų9760.9 Ų60.945%0.45332%0.323SS..Hα-helixtrans-67.7-35.7175.5-170.8-174.717400112G228 V232 A233 K234G228-E230 PolarHBondContact O-N 2.85Å; G228-E230 VanDerWaalsContact O-N 3.17Å; E230-V232 VanDerWaalsContact C-N 3.35Å; E230-A233 PolarHBondContact O-N 3.34Å; E230-K234 HydrophobicContact CG-CD 4.23Å; E230-K234 WeakPolarHBondContact O-CB 3.1Å; E230-K234 WeakPolarHBondContact O-CG 3.37Å; E230-K234 PolarHBondContact O-N 2.99Å; E230-K234 WeakPolarHBondContact OE1-CE 3.41Å; E230-K234 IonicContact OE1-NZ 3.55Å; E230-K234 PolarHBondContact OE1-NZ 2.88Å
231V98.8Very high98.3Very high19 Ų1953.2 Ų53.212%0.11528%0.282CS..Hα-helixtrans-64.1-44.9176.1-178.30000109.8L176 G215 W216 F227 G228 S229 K234 F235L176-V231 HydrophobicContact CD1-CG1 3.91Å; G215-V231 WeakPolarHBondContact O-CG2 3.44Å; W216-V231 HydrophobicContact CH2-CG1 4.06Å; W216-V231 HydrophobicContact CZ2-CG1 3.55Å; F227-V231 HydrophobicContact CB-CB 4.19Å; F227-V231 HydrophobicContact CB-CG1 4.22Å; F227-V231 HydrophobicContact CB-CG2 4.31Å; G228-V231 WeakPolarHBondContact O-CB 3.46Å; G228-V231 PolarHBondContact O-N 3.14Å; S229-V231 VanDerWaalsContact C-N 3.35Å; V231-K234 PolarHBondContact O-N 2.94Å; V231-F235 VanDerWaalsContact O-CB 3.3Å; V231-F235 WeakPolarHBondContact O-CB 3.42Å; V231-F235 PolarHBondContact O-N 2.78Å
232V98.9Very high98.5Very high0 Ų052.9 Ų52.90%029%0.288CS..Hα-helixtrans-56.2-53.5174.31720000111L176 F227 G228 S229 E230 K234 F235 L236 I244 F258 A259 Q262 L263L176-V232 HydrophobicContact CD1-CG2 4.48Å; F227-V232 HydrophobicContact CD2-CG2 3.87Å; F227-V232 HydrophobicContact CE2-CG2 3.71Å; G228-V232 PolarHBondContact O-N 2.82Å; S229-V232 PolarHBondContact O-N 3.24Å; E230-V232 VanDerWaalsContact C-N 3.35Å; V232-K234 PolarHBondContact O-N 3.26Å; V232-F235 PolarHBondContact O-N 3.3Å; V232-L236 HydrophobicContact CG1-CD1 3.93Å; V232-L236 HydrophobicContact CG1-CG 4.44Å; V232-L236 WeakPolarHBondContact O-CG 3.37Å; V232-L236 PolarHBondContact O-N 3.48Å; V232-I244 HydrophobicContact CB-CD1 4.46Å; V232-I244 HydrophobicContact CG1-CD1 4.01Å; V232-I244 HydrophobicContact CG2-CD1 4.25Å; V232-F258 HydrophobicContact CG2-CD1 4.15Å; V232-F258 HydrophobicContact CG2-CE1 3.92Å; V232-A259 HydrophobicContact CB-CB 4.13Å; V232-A259 HydrophobicContact CG1-CB 3.96Å; V232-A259 HydrophobicContact CG2-CB 4.49Å; V232-Q262 HydrophobicContact CG1-CB 3.73Å; V232-L263 HydrophobicContact CG1-CB 4.3Å; V232-L263 HydrophobicContact CG2-CD1 4.11Å
233A98.8Very high98.6Very high35 Ų3550 Ų5029%0.28926%0.255SS..Hα-helixtrans-61.2-42.3-177.900000112.5S229 E230 H237S229-A233 PolarHBondContact O-N 3.39Å; E230-A233 PolarHBondContact O-N 3.34Å; A233-H237 VanDerWaalsContact O-CB 3.31Å; A233-H237 WeakPolarHBondContact O-CB 3.4Å; A233-H237 PolarHBondContact O-N 2.91Å
234K98.8Very high98.7Very high125 Ų12548.7 Ų48.754%0.54325%0.247SC..Hα-helixtrans-65.4-42.4177.2-76.1176.8-179.1168.90112.2E230 V231 V232 K238E230-K234 HydrophobicContact CG-CD 4.23Å; E230-K234 WeakPolarHBondContact O-CB 3.1Å; E230-K234 WeakPolarHBondContact O-CG 3.37Å; E230-K234 PolarHBondContact O-N 2.99Å; E230-K234 WeakPolarHBondContact OE1-CE 3.41Å; E230-K234 IonicContact OE1-NZ 3.55Å; E230-K234 PolarHBondContact OE1-NZ 2.88Å; V231-K234 PolarHBondContact O-N 2.94Å; V232-K234 PolarHBondContact O-N 3.26Å; K234-K238 WeakPolarHBondContact O-CB 3.43Å; K234-K238 PolarHBondContact O-N 3.05Å
235F98.9Very high98.7Very high15 Ų1547.6 Ų47.67%0.06624%0.239CC..Hα-helixtrans-61.9-51.4178.6174.7-96.1000111.2F170 L176 L180 M183 V231 V232 H237 K238 H239 L241 I244F170-F235 HydrophobicContact CB-CE1 4.24Å; F170-F235 HydrophobicContact CD1-CE1 4.07Å; F170-F235 HydrophobicContact CD1-CZ 4.12Å; F170-F235 HydrophobicContact CD2-CZ 4.35Å; F170-F235 HydrophobicContact CE1-CZ 4.33Å; F170-F235 HydrophobicContact CG-CE1 4.1Å; F170-F235 HydrophobicContact CG-CZ 4.13Å; L176-F235 HydrophobicContact CD1-CB 3.77Å; L176-F235 HydrophobicContact CD1-CD1 4.25Å; L176-F235 HydrophobicContact CD1-CD2 4.43Å; L176-F235 HydrophobicContact CD1-CG 3.9Å; L176-F235 HydrophobicContact CD2-CD1 3.74Å; L176-F235 HydrophobicContact CD2-CD2 3.87Å; L176-F235 HydrophobicContact CD2-CE1 3.72Å; L176-F235 HydrophobicContact CD2-CE2 3.87Å; L176-F235 HydrophobicContact CD2-CG 3.79Å; L176-F235 HydrophobicContact CD2-CZ 3.76Å; L180-F235 HydrophobicContact CD2-CE2 3.62Å; L180-F235 HydrophobicContact CD2-CZ 4.09Å; L180-F235 HydrophobicContact CG-CE2 4.11Å; M183-F235 HydrophobicContact CE-CE1 4.36Å; M183-F235 HydrophobicContact CE-CE2 4.09Å; M183-F235 HydrophobicContact CE-CZ 3.52Å; V231-F235 VanDerWaalsContact O-CB 3.3Å; V231-F235 WeakPolarHBondContact O-CB 3.42Å; V231-F235 PolarHBondContact O-N 2.78Å; V232-F235 PolarHBondContact O-N 3.3Å; F235-H237 PolarHBondContact O-N 3.24Å; F235-K238 PolarHBondContact O-N 3.03Å; F235-H239 AromaticContact CD2-CD2 3.58Å; F235-H239 AromaticContact CE2-CD2 3.52Å; F235-H239 AromaticContact CE2-NE2 3.92Å; F235-H239 PolarHBondContact O-CD2 2.95Å; F235-H239 VanDerWaalsContact O-CD2 3.28Å; F235-H239 PolarHBondContact O-N 3.47Å; F235-H239 VanDerWaalsContact O-N 3.11Å; F235-L241 HydrophobicContact CD1-CD1 4.32Å; F235-L241 HydrophobicContact CE1-CD1 3.58Å; F235-L241 HydrophobicContact CZ-CD1 4.14Å; F235-I244 HydrophobicContact CD1-CD1 3.91Å; F235-I244 HydrophobicContact CD1-CG1 4.25Å; F235-I244 HydrophobicContact CE1-CD1 4.31Å; F235-I244 HydrophobicContact CE1-CG1 4.29Å
236L98.8Very high98.8Very high2 Ų243.7 Ų43.71%0.0122%0.222CC..Hα-helixtrans-58.8-48179-71.6178.2000111.6V232 K238 H239 D240 L241 I244 Q262V232-L236 HydrophobicContact CG1-CD1 3.93Å; V232-L236 HydrophobicContact CG1-CG 4.44Å; V232-L236 WeakPolarHBondContact O-CG 3.37Å; V232-L236 PolarHBondContact O-N 3.48Å; L236-K238 PolarHBondContact O-N 3.3Å; L236-H239 PolarHBondContact O-N 3.3Å; L236-D240 PolarHBondContact O-N 3.38Å; L236-L241 WeakPolarHBondContact CB-O 3.39Å; L236-L241 HydrophobicContact CD2-CB 3.4Å; L236-L241 VanDerWaalsContact CD2-CB 3.4Å; L236-L241 HydrophobicContact CD2-CD1 4.36Å; L236-L241 PolarHBondContact O-N 3.26Å; L236-I244 HydrophobicContact CD2-CG1 3.94Å; L236-I244 HydrophobicContact CG-CG1 4.47Å; L236-Q262 HydrophobicContact CD1-CB 3.54Å; L236-Q262 HydrophobicContact CD1-CG 4Å
237H98.8Very high98.8Very high167 Ų16743.3 Ų43.377%0.77322%0.219SC*.Hα-helixtrans-61.5-42.4178.2-177.663.9000112.8A233 F235 H239A233-H237 VanDerWaalsContact O-CB 3.31Å; A233-H237 WeakPolarHBondContact O-CB 3.4Å; A233-H237 PolarHBondContact O-N 2.91Å; F235-H237 PolarHBondContact O-N 3.24Å; H237-H239 VanDerWaalsContact C-N 3.28Å; H237-H239 PolarHBondContact O-N 2.85Å
238K98.7Very high98.7Very high106 Ų10643.8 Ų43.846%0.46122%0.222SC..Hα-helixtrans-64.4-33.2-179.6177.6178.9174.3-172.80112.7Q181 K234 F235 L236Q181-K238 WeakPolarHBondContact O-CE 3.39Å; Q181-K238 PolarHBondContact O-NZ 2.99Å; K234-K238 WeakPolarHBondContact O-CB 3.43Å; K234-K238 PolarHBondContact O-N 3.05Å; F235-K238 PolarHBondContact O-N 3.03Å; L236-K238 PolarHBondContact O-N 3.3Å
239H98.6Very high98.7Very high46 Ų4646.4 Ų46.421%0.21323%0.234CC..Hα-helixtrans-106.97.4-174.1-66.1-64.9000113.8Q181 M183 F235 L236 H237 L241Q181-H239 PolarHBondContact O-CE1 2.86Å; M183-H239 HydrophobicContact CE-CB 4.25Å; F235-H239 AromaticContact CD2-CD2 3.58Å; F235-H239 AromaticContact CE2-CD2 3.52Å; F235-H239 AromaticContact CE2-NE2 3.92Å; F235-H239 PolarHBondContact O-CD2 2.95Å; F235-H239 VanDerWaalsContact O-CD2 3.28Å; F235-H239 PolarHBondContact O-N 3.47Å; F235-H239 VanDerWaalsContact O-N 3.11Å; L236-H239 PolarHBondContact O-N 3.3Å; H237-H239 VanDerWaalsContact C-N 3.28Å; H237-H239 PolarHBondContact O-N 2.85Å; H239-L241 VanDerWaalsContact C-N 3.26Å; H239-L241 HydrophobicContact CB-CD1 3.82Å; H239-L241 HydrophobicContact CB-CG 4.06Å; H239-L241 PolarHBondContact O-N 3.02Å
240D98.6Very high98.7Very high112 Ų11245.8 Ų45.860%0.59923%0.228SC*.THydrogen-bonded Turntrans53.239.9-176.6-165.745.5000114.1K168 L236K168-D240 VanDerWaalsContact NZ-CG 3.3Å; K168-D240 PolarHBondContact NZ-O 3.36Å; K168-D240 IonicContact NZ-OD1 3.91Å; K168-D240 IonicContact NZ-OD2 2.72Å; K168-D240 PolarHBondContact NZ-OD2 3.21Å; L236-D240 PolarHBondContact O-N 3.38Å
241L98.8Very high98.7Very high11 Ų1141.7 Ų41.76%0.05821%0.209CC..  trans-101.4156.4178-65.9165.8000110.8I164 E167 F170 M183 F235 L236 H239I164-L241 HydrophobicContact CG2-CD2 4.26Å; E167-L241 WeakPolarHBondContact O-CD2 3.17Å; F170-L241 HydrophobicContact CB-CD1 3.73Å; F170-L241 HydrophobicContact CB-CD2 4.48Å; M183-L241 HydrophobicContact CE-CD1 3.94Å; F235-L241 HydrophobicContact CD1-CD1 4.32Å; F235-L241 HydrophobicContact CE1-CD1 3.58Å; F235-L241 HydrophobicContact CZ-CD1 4.14Å; L236-L241 WeakPolarHBondContact CB-O 3.39Å; L236-L241 HydrophobicContact CD2-CB 3.4Å; L236-L241 VanDerWaalsContact CD2-CB 3.4Å; L236-L241 HydrophobicContact CD2-CD1 4.36Å; L236-L241 PolarHBondContact O-N 3.26Å; H239-L241 VanDerWaalsContact C-N 3.26Å; H239-L241 HydrophobicContact CB-CD1 3.82Å; H239-L241 HydrophobicContact CB-CG 4.06Å; H239-L241 PolarHBondContact O-N 3.02Å
242D98.7Very high98.5Very high99 Ų9948 Ų4853%0.52924%0.238SC..SBendtrans-104.2-31.2179.4-66.5-24000112.8K168K168-D242 HydrophobicContact CB-CB 4.4Å; K168-D242 WeakPolarHBondContact CD-OD2 3.41Å; K168-D242 PolarHBondContact O-N 3.14Å
243L98.9Very high98.4Very high15 Ų1552.2 Ų52.28%0.07926%0.26CS..EExtended strand (participates in β ladder)trans-145.7142-171.3-179.464.5000112.4K168 I169 F170 R261 V264 M283K168-L243 PolarHBondContact O-N 3.46Å; I169-L243 CarbonylContact C-O 3.55Å; I169-L243 WeakPolarHBondContact CA-O 3.25Å; I169-L243 HydrophobicContact CD1-CD2 4.42Å; I169-L243 HydrophobicContact CG1-CB 4.28Å; I169-L243 HydrophobicContact CG1-CD2 4.43Å; I169-L243 HydrophobicContact CG2-CB 4.13Å; I169-L243 HydrophobicContact CG2-CD2 3.98Å; I169-L243 HydrophobicContact CG2-CG 4.09Å; F170-L243 PolarHBondContact N-O 3.36Å; L243-R261 WeakPolarHBondContact CD1-O 3.3Å; L243-V264 HydrophobicContact CD1-CB 4.43Å; L243-V264 HydrophobicContact CD1-CG1 4.12Å; L243-V264 HydrophobicContact CD2-CG1 4.13Å; L243-V264 HydrophobicContact CG-CG1 4.4Å; L243-M283 HydrophobicContact CD2-CE 4.13Å; L243-M283 HydrophobicContact CD2-SD 4.35Å
244I98.9Very high98.4Very high0 Ų050.6 Ų50.60%025%0.246CC..EExtended strand (participates in β ladder)trans-100.2125.6159.8-61.6167.8000108.5F170 L176 V232 F235 L236 Q262 L263 V264F170-I244 HydrophobicContact CD1-CG2 4.42Å; F170-I244 CarbonylContact O-C 3.48Å; F170-I244 WeakPolarHBondContact O-CA 3.29Å; L176-I244 HydrophobicContact CD1-CD1 3.75Å; L176-I244 HydrophobicContact CD2-CD1 3.82Å; L176-I244 HydrophobicContact CG-CD1 3.93Å; V232-I244 HydrophobicContact CB-CD1 4.46Å; V232-I244 HydrophobicContact CG1-CD1 4.01Å; V232-I244 HydrophobicContact CG2-CD1 4.25Å; F235-I244 HydrophobicContact CD1-CD1 3.91Å; F235-I244 HydrophobicContact CD1-CG1 4.25Å; F235-I244 HydrophobicContact CE1-CD1 4.31Å; F235-I244 HydrophobicContact CE1-CG1 4.29Å; L236-I244 HydrophobicContact CD2-CG1 3.94Å; L236-I244 HydrophobicContact CG-CG1 4.47Å; I244-Q262 PolarHBondContact N-O 3.34Å; I244-L263 HydrophobicContact CB-CB 4.14Å; I244-L263 HydrophobicContact CB-CD1 4Å; I244-L263 HydrophobicContact CB-CG 3.96Å; I244-L263 HydrophobicContact CD1-CD1 4.27Å; I244-L263 HydrophobicContact CG2-CD1 3.78Å; I244-L263 HydrophobicContact CG2-CG 4Å; I244-L263 CarbonylContact O-C 3.42Å; I244-L263 VanDerWaalsContact O-CA 3.25Å; I244-L263 WeakPolarHBondContact O-CA 3.46Å; I244-V264 PolarHBondContact O-N 3.41Å
245C98.9Very high98.4Very high0 Ų047.8 Ų47.80%023%0.233CC..EExtended strand (participates in β ladder)trans-111.3120.6172.2-175.20000109.5I169 F170 C171 C172 V264 L266 M283I169-C245 HydrophobicContact CG2-CB 3.84Å; F170-C245 PolarHBondContact O-N 3.44Å; C171-C245 VanDerWaalsContact CA-O 3.26Å; C171-C245 WeakPolarHBondContact CA-O 3.19Å; C172-C245 PolarHBondContact N-O 3.22Å; C245-V264 HydrophobicContact CB-CG1 4.06Å; C245-L266 VanDerWaalsContact SG-CD1 3.56Å; C245-M283 HydrophobicContact CB-CE 4.12Å
246R98.9Very high98.4Very high0 Ų052.5 Ų52.50%026%0.255CS..EExtended strand (participates in β ladder)trans-138.4176.3-176.270.478.153.9147.522113.1C172 H173 G174 S207 D208 H248 L263 V264 T265 L266C172-R246 VanDerWaalsContact O-CA 3.28Å; C172-R246 WeakPolarHBondContact O-CA 3.06Å; H173-R246 PolarHBondContact O-NE 3.04Å; G174-R246 WeakPolarHBondContact O-CB 3.01Å; G174-R246 PolarHBondContact O-NE 3.41Å; G174-R246 PolarHBondContact O-NH2 2.81Å; S207-R246 PolarHBondContact O-NH2 2.83Å; D208-R246 IonicContact OD1-CZ 3.94Å; D208-R246 IonicContact OD1-NH1 2.75Å; D208-R246 PolarHBondContact OD1-NH1 3.41Å; D208-R246 IonicContact OD1-NH2 3.56Å; D208-R246 PolarHBondContact OD1-NH2 3.37Å; R246-H248 PolarHBondContact NH2-CD2 3.49Å; R246-L263 HydrophobicContact CG-CD1 4.37Å; R246-L263 HydrophobicContact CG-CD2 4.02Å; R246-L263 HydrophobicContact CG-CG 4.33Å; R246-V264 PolarHBondContact N-O 3.35Å; R246-T265 VanDerWaalsContact CD-OG1 3.26Å; R246-T265 WeakPolarHBondContact CD-OG1 3.28Å; R246-T265 CarbonylContact O-C 3.56Å; R246-T265 WeakPolarHBondContact O-CA 3.25Å; R246-L266 PolarHBondContact O-N 3.42Å
247A98.9Very high98.4Very high0 Ų055.7 Ų55.70%027%0.269CS..  trans-128.5-125.3-17600000114.1D64 L90 H173 Q249 T265 L266D64-A247 WeakPolarHBondContact OD1-CB 3.3Å; L90-A247 HydrophobicContact CB-CB 3.73Å; L90-A247 HydrophobicContact CD1-CB 3.95Å; H173-A247 PolarHBondContact O-N 3.11Å; A247-Q249 PolarHBondContact O-N 3.46Å; A247-T265 WeakPolarHBondContact O-CG2 3.48Å; A247-L266 WeakPolarHBondContact CA-O 3.41Å; A247-L266 WeakPolarHBondContact CB-O 3.42Å
248H98.6Very high98.4Very high10 Ų1049.2 Ų49.25%0.04624%0.239CC..SBendtrans65.3-20160.7-168.564.1000119.4D64 N124 H173 W206 D208 R221 R246D64-H248 PolarHBondContact OD1-N 3.46Å; D64-H248 WeakPolarHBondContact OD2-CA 3.31Å; N124-H248 PolarHBondContact OD1-CE1 3Å; N124-H248 VanDerWaalsContact OD1-CE1 3.26Å; N124-H248 PolarHBondContact OD1-ND1 2.75Å; H173-H248 AromaticContact CD2-CG 3.98Å; H173-H248 AromaticContact CD2-ND1 3.66Å; H173-H248 WeakPolarHBondContact NE2-CB 3.2Å; H173-H248 AromaticContact NE2-CG 3.56Å; H173-H248 AromaticContact NE2-ND1 3.07Å; H173-H248 PolarHBondContact NE2-ND1 2.82Å; W206-H248 AromaticContact CE3-CE1 3.85Å; W206-H248 AromaticContact CE3-NE2 3.98Å; D208-H248 IonicContact OD1-CD2 3.96Å; D208-H248 PolarHBondContact OD1-CD2 2.99Å; D208-H248 VanDerWaalsContact OD1-CD2 3.3Å; D208-H248 IonicContact OD2-CD2 3.21Å; R221-H248 PolarHBondContact NE-NE2 3.23Å; R221-H248 PolarHBondContact NH2-CD2 3.27Å; R221-H248 PolarHBondContact NH2-NE2 3.07Å; R221-H248 PolarHBondContact NH2-O 2.82Å; R246-H248 PolarHBondContact NH2-CD2 3.49Å
249Q98.4Very high98.4Very high56 Ų5644.8 Ų44.826%0.26222%0.222SC..SBendtrans-119.2129.8176.3-77.9174.2-49.900110.1D208 A247 V251 T265 F267D208-Q249 VanDerWaalsContact OD1-CG 3.24Å; D208-Q249 WeakPolarHBondContact OD1-CG 3.19Å; D208-Q249 PolarHBondContact OD1-NE2 2.72Å; D208-Q249 PolarHBondContact OD1-OE1 2.77Å; A247-Q249 PolarHBondContact O-N 3.46Å; Q249-V251 PolarHBondContact O-N 3.12Å; Q249-T265 HydrophobicContact CB-CG2 4.19Å; Q249-F267 WeakPolarHBondContact O-CD2 3.45Å
250V97.9Very high98.3Very high47 Ų4752.2 Ų52.229%0.28525%0.254SS..  trans-65.5126.3171.4-174.60000108.5F267 Y272 F276 N278V250-F267 HydrophobicContact CG1-CE1 4.49Å; V250-F267 HydrophobicContact CG2-CD2 4.32Å; V250-F267 HydrophobicContact CG2-CE1 4.08Å; V250-F267 HydrophobicContact CG2-CE2 3.77Å; V250-F267 HydrophobicContact CG2-CZ 3.65Å; V250-Y272 HydrophobicContact CG2-CD1 3.53Å; V250-Y272 HydrophobicContact CG2-CE1 4.03Å; V250-Y272 HydrophobicContact CG2-CG 4.19Å; V250-F276 HydrophobicContact CG1-CB 4.33Å; V250-F276 HydrophobicContact CG1-CD1 4.02Å; V250-F276 HydrophobicContact CG1-CG 4.15Å; V250-N278 HydrophobicContact CG1-CB 3.79Å
251V97.6Very high98.3Very high10 Ų1055.5 Ų55.56%0.06126%0.257CS..  trans-127.6143.8178.1-68.40000109.7Q249 D253 G254 E256 T265 F267 N278Q249-V251 PolarHBondContact O-N 3.12Å; V251-D253 PolarHBondContact O-N 2.97Å; V251-G254 VanDerWaalsContact CG2-C 3.47Å; V251-G254 PolarHBondContact O-N 3.39Å; V251-G254 VanDerWaalsContact O-N 3.07Å; V251-E256 HydrophobicContact CB-CB 3.89Å; V251-E256 HydrophobicContact CG1-CB 3.65Å; V251-E256 HydrophobicContact CG2-CB 4.37Å; V251-T265 HydrophobicContact CG1-CG2 3.78Å; V251-T265 HydrophobicContact CG2-CG2 4.36Å; V251-F267 HydrophobicContact CG2-CB 4.09Å; V251-N278 WeakPolarHBondContact O-CB 3.38Å
252E96.1Very high98.3Very high153 Ų15358 Ų5872%0.71527%0.269SS*.THydrogen-bonded Turntrans-56.4-48.9-165.7-174.4175.1-177.300113.2G254 N278 A279E252-G254 VanDerWaalsContact C-N 3.29Å; E252-G254 PolarHBondContact O-N 3.29Å; E252-N278 CarbonylContact O-C 3.49Å; E252-N278 VanDerWaalsContact O-CA 3.31Å; E252-N278 WeakPolarHBondContact O-CA 3.29Å; E252-A279 PolarHBondContact O-N 2.98Å
253D96.7Very high98.3Very high88 Ų8853.3 Ų53.347%0.47124%0.244SC..THydrogen-bonded Turntrans-89.79-177.8-72.9-41.6000113.5V251 Y255V251-D253 PolarHBondContact O-N 2.97Å; D253-Y255 HydrophobicContact CB-CD1 4.35Å; D253-Y255 HydrophobicContact CB-CE1 4.28Å; D253-Y255 PolarHBondContact O-N 3.04Å
254G98.3Very high98.3Very high0 Ų052.6 Ų52.60%024%0.24CC..SBendtrans74.7-8.8-172.800000114V251 E252 F267 A279 A281V251-G254 VanDerWaalsContact CG2-C 3.47Å; V251-G254 PolarHBondContact O-N 3.39Å; V251-G254 VanDerWaalsContact O-N 3.07Å; E252-G254 VanDerWaalsContact C-N 3.29Å; E252-G254 PolarHBondContact O-N 3.29Å; G254-F267 WeakPolarHBondContact CA-O 3.26Å; G254-F267 PolarHBondContact O-N 3.11Å; G254-F267 VanDerWaalsContact O-O 3.13Å; G254-A279 VanDerWaalsContact CA-O 3.24Å; G254-A279 WeakPolarHBondContact CA-O 3.27Å; G254-A279 PolarHBondContact N-O 3Å; G254-A281 VanDerWaalsContact C-CB 3.42Å; G254-A281 WeakPolarHBondContact O-CB 3.33Å
255Y98.8Very high98.3Very high66 Ų6652.8 Ų52.826%0.25924%0.241SC..EExtended strand (participates in β ladder)trans-140.1150.7164.777.5-75.8000111D253 F257 V264 T265 A281 F293 I295D253-Y255 HydrophobicContact CB-CD1 4.35Å; D253-Y255 HydrophobicContact CB-CE1 4.28Å; D253-Y255 PolarHBondContact O-N 3.04Å; Y255-F257 HydrophobicContact CD2-CD2 4.44Å; Y255-F257 HydrophobicContact CD2-CE2 4.32Å; Y255-F257 HydrophobicContact CE2-CD2 4.14Å; Y255-F257 AromaticContact CE2-CE2 3.94Å; Y255-F257 HydrophobicContact CE2-CE2 3.94Å; Y255-V264 HydrophobicContact CD2-CG2 4.43Å; Y255-T265 CarbonylContact C-O 3.56Å; Y255-T265 WeakPolarHBondContact CA-O 3.41Å; Y255-A281 HydrophobicContact CD1-CB 4.28Å; Y255-F293 HydrophobicContact CD1-CB 4.06Å; Y255-F293 HydrophobicContact CD1-CD1 4Å; Y255-F293 AromaticContact CD1-CG 3.97Å; Y255-F293 HydrophobicContact CD1-CG 3.97Å; Y255-F293 AromaticContact CD2-CD1 3.74Å; Y255-F293 HydrophobicContact CD2-CD1 3.74Å; Y255-F293 AromaticContact CD2-CD2 3.98Å; Y255-F293 HydrophobicContact CD2-CD2 3.98Å; Y255-F293 AromaticContact CD2-CE1 3.67Å; Y255-F293 HydrophobicContact CD2-CE1 3.67Å; Y255-F293 AromaticContact CD2-CE2 3.93Å; Y255-F293 HydrophobicContact CD2-CE2 3.93Å; Y255-F293 AromaticContact CD2-CG 3.9Å; Y255-F293 HydrophobicContact CD2-CG 3.9Å; Y255-F293 AromaticContact CD2-CZ 3.78Å; Y255-F293 HydrophobicContact CD2-CZ 3.78Å; Y255-F293 HydrophobicContact CE1-CB 4.06Å; Y255-F293 HydrophobicContact CE1-CD2 4.47Å; Y255-F293 HydrophobicContact CE1-CG 4.12Å; Y255-F293 HydrophobicContact CE2-CD1 4.36Å; Y255-F293 AromaticContact CE2-CD2 3.79Å; Y255-F293 HydrophobicContact CE2-CD2 3.79Å; Y255-F293 HydrophobicContact CE2-CE1 4.42Å; Y255-F293 AromaticContact CE2-CE2 3.88Å; Y255-F293 HydrophobicContact CE2-CE2 3.88Å; Y255-F293 HydrophobicContact CE2-CG 4.05Å; Y255-F293 HydrophobicContact CE2-CZ 4.2Å; Y255-F293 HydrophobicContact CG-CB 4.43Å; Y255-F293 AromaticContact CG-CD1 3.54Å; Y255-F293 HydrophobicContact CG-CD1 3.54Å; Y255-F293 HydrophobicContact CG-CD2 4.4Å; Y255-F293 AromaticContact CG-CE1 3.83Å; Y255-F293 HydrophobicContact CG-CE1 3.83Å; Y255-F293 AromaticContact CG-CG 3.86Å; Y255-F293 HydrophobicContact CG-CG 3.86Å; Y255-F293 HydrophobicContact CG-CZ 4.4Å; Y255-I295 HydrophobicContact CD1-CD1 4.44Å; Y255-I295 HydrophobicContact CD1-CG1 4.44Å; Y255-I295 HydrophobicContact CE1-CD1 3.86Å; Y255-I295 HydrophobicContact CE1-CG1 4.28Å
256E98.8Very high98.3Very high114 Ų11452.8 Ų52.853%0.53324%0.241SC..EExtended strand (participates in β ladder)trans-146135.6173.7-171.7172.691.300110.8V251 V264 T265V251-E256 HydrophobicContact CB-CB 3.89Å; V251-E256 HydrophobicContact CG1-CB 3.65Å; V251-E256 HydrophobicContact CG2-CB 4.37Å; E256-V264 WeakPolarHBondContact O-CA 3.43Å; E256-T265 PolarHBondContact N-O 3.45Å; E256-T265 PolarHBondContact O-N 3.42Å
257F98.8Very high98.3Very high70 Ų7052.9 Ų52.931%0.30724%0.241SC..EExtended strand (participates in β ladder)trans-90.2143.2175.5-78.5-67.7000111.9Y255 R261 L263 V264 F293Y255-F257 HydrophobicContact CD2-CD2 4.44Å; Y255-F257 HydrophobicContact CD2-CE2 4.32Å; Y255-F257 HydrophobicContact CE2-CD2 4.14Å; Y255-F257 AromaticContact CE2-CE2 3.94Å; Y255-F257 HydrophobicContact CE2-CE2 3.94Å; F257-R261 HydrophobicContact CB-CB 4.49Å; F257-R261 HydrophobicContact CB-CG 4.06Å; F257-R261 HydrophobicContact CD1-CB 3.64Å; F257-R261 HydrophobicContact CD1-CG 3.88Å; F257-R261 HydrophobicContact CD2-CG 4.09Å; F257-R261 HydrophobicContact CE1-CB 3.92Å; F257-R261 HydrophobicContact CE1-CG 4.28Å; F257-R261 HydrophobicContact CE2-CG 4.47Å; F257-R261 HydrophobicContact CG-CB 4.06Å; F257-R261 HydrophobicContact CG-CG 3.76Å; F257-L263 WeakPolarHBondContact CA-O 3.34Å; F257-V264 HydrophobicContact CD1-CB 3.9Å; F257-V264 HydrophobicContact CD1-CG2 4.14Å; F257-V264 HydrophobicContact CE1-CB 3.91Å; F257-V264 HydrophobicContact CE1-CG2 4.11Å; F257-F293 HydrophobicContact CE1-CZ 4.24Å; F257-F293 AromaticContact CE2-CE2 3.8Å; F257-F293 HydrophobicContact CE2-CE2 3.8Å; F257-F293 HydrophobicContact CE2-CZ 4.03Å; F257-F293 AromaticContact CZ-CE2 3.6Å; F257-F293 HydrophobicContact CZ-CE2 3.6Å; F257-F293 AromaticContact CZ-CZ 3.56Å; F257-F293 HydrophobicContact CZ-CZ 3.56Å
258F98.7Very high98.3Very high31 Ų3153 Ų5314%0.13624%0.242CC..EExtended strand (participates in β ladder)trans-126.4163173.4179.1-105.7000110.7P209 K211 V232 K260 R261 Q262 L263P209-F258 HydrophobicContact CB-CD1 3.71Å; P209-F258 HydrophobicContact CB-CD2 4.27Å; P209-F258 HydrophobicContact CB-CE1 3.77Å; P209-F258 HydrophobicContact CB-CE2 4.33Å; P209-F258 HydrophobicContact CB-CG 3.96Å; P209-F258 HydrophobicContact CB-CZ 4.08Å; K211-F258 HydrophobicContact CB-CE2 4.04Å; V232-F258 HydrophobicContact CG2-CD1 4.15Å; V232-F258 HydrophobicContact CG2-CE1 3.92Å; F258-K260 PolarHBondContact O-N 3.27Å; F258-R261 WeakPolarHBondContact O-CA 3.41Å; F258-R261 PolarHBondContact O-N 2.95Å; F258-Q262 PolarHBondContact O-N 3.28Å; F258-L263 HydrophobicContact CB-CB 4.17Å; F258-L263 HydrophobicContact CB-CD2 3.84Å; F258-L263 HydrophobicContact CD1-CB 4.17Å; F258-L263 HydrophobicContact CD1-CD1 4.48Å; F258-L263 HydrophobicContact CD1-CD2 4.49Å; F258-L263 PolarHBondContact N-O 3.39Å; F258-L263 PolarHBondContact O-N 2.96Å
259A98.1Very high98.3Very high13 Ų1352.5 Ų52.511%0.10724%0.24CC..G310 helixtrans47.754.8173.900000114V232 R261 Q262V232-A259 HydrophobicContact CB-CB 4.13Å; V232-A259 HydrophobicContact CG1-CB 3.96Å; V232-A259 HydrophobicContact CG2-CB 4.49Å; A259-R261 VanDerWaalsContact C-N 3.29Å; A259-R261 PolarHBondContact O-N 2.99Å; A259-Q262 HydrophobicContact CB-CB 4.21Å; A259-Q262 WeakPolarHBondContact O-CB 3.47Å; A259-Q262 VanDerWaalsContact O-CG 3.24Å; A259-Q262 WeakPolarHBondContact O-CG 3.32Å; A259-Q262 PolarHBondContact O-N 3.11Å; A259-Q262 VanDerWaalsContact O-N 3.11Å; A259-Q262 PolarHBondContact O-OE1 3.12Å
260K97.9Very high98.2Very high202 Ų20250 Ų5088%0.87823%0.228SC*.G310 helixtrans55.340.9-178.1-57.9176.5179.2175.70113.4F258 Q262F258-K260 PolarHBondContact O-N 3.27Å; K260-Q262 VanDerWaalsContact C-N 3.26Å; K260-Q262 PolarHBondContact O-N 3.19Å
261R98.3Very high98.1Very high180 Ų18049.7 Ų49.768%0.67923%0.225SC*.G310 helixtrans69.315.4-178.4-50.4-176.7172.8-179-3.9115.2L243 F257 F258 A259 L263L243-R261 WeakPolarHBondContact CD1-O 3.3Å; F257-R261 HydrophobicContact CB-CB 4.49Å; F257-R261 HydrophobicContact CB-CG 4.06Å; F257-R261 HydrophobicContact CD1-CB 3.64Å; F257-R261 HydrophobicContact CD1-CG 3.88Å; F257-R261 HydrophobicContact CD2-CG 4.09Å; F257-R261 HydrophobicContact CE1-CB 3.92Å; F257-R261 HydrophobicContact CE1-CG 4.28Å; F257-R261 HydrophobicContact CE2-CG 4.47Å; F257-R261 HydrophobicContact CG-CB 4.06Å; F257-R261 HydrophobicContact CG-CG 3.76Å; F258-R261 WeakPolarHBondContact O-CA 3.41Å; F258-R261 PolarHBondContact O-N 2.95Å; A259-R261 VanDerWaalsContact C-N 3.29Å; A259-R261 PolarHBondContact O-N 2.99Å; R261-L263 VanDerWaalsContact C-N 3.28Å
262Q98.8Very high97.9Very high64 Ų6450.2 Ų50.230%0.29923%0.227SC..THydrogen-bonded Turntrans-78.9-14173.1-69.3-170.9-72.300113V232 L236 I244 F258 A259 K260V232-Q262 HydrophobicContact CG1-CB 3.73Å; L236-Q262 HydrophobicContact CD1-CB 3.54Å; L236-Q262 HydrophobicContact CD1-CG 4Å; I244-Q262 PolarHBondContact N-O 3.34Å; F258-Q262 PolarHBondContact O-N 3.28Å; A259-Q262 HydrophobicContact CB-CB 4.21Å; A259-Q262 WeakPolarHBondContact O-CB 3.47Å; A259-Q262 VanDerWaalsContact O-CG 3.24Å; A259-Q262 WeakPolarHBondContact O-CG 3.32Å; A259-Q262 PolarHBondContact O-N 3.11Å; A259-Q262 VanDerWaalsContact O-N 3.11Å; A259-Q262 PolarHBondContact O-OE1 3.12Å; K260-Q262 VanDerWaalsContact C-N 3.26Å; K260-Q262 PolarHBondContact O-N 3.19Å
263L98.9Very high97.3Very high0 Ų045.3 Ų45.30%021%0.209CC..EExtended strand (participates in β ladder)trans-134.1142.5170.2-179.5154000109.4P209 F227 V232 I244 R246 F257 F258 R261P209-L263 HydrophobicContact CB-CD1 4.37Å; P209-L263 HydrophobicContact CB-CD2 4.47Å; P209-L263 HydrophobicContact CG-CD2 4.09Å; F227-L263 HydrophobicContact CE2-CD1 3.77Å; F227-L263 HydrophobicContact CZ-CD1 3.99Å; V232-L263 HydrophobicContact CG1-CB 4.3Å; V232-L263 HydrophobicContact CG2-CD1 4.11Å; I244-L263 HydrophobicContact CB-CB 4.14Å; I244-L263 HydrophobicContact CB-CD1 4Å; I244-L263 HydrophobicContact CB-CG 3.96Å; I244-L263 HydrophobicContact CD1-CD1 4.27Å; I244-L263 HydrophobicContact CG2-CD1 3.78Å; I244-L263 HydrophobicContact CG2-CG 4Å; I244-L263 CarbonylContact O-C 3.42Å; I244-L263 VanDerWaalsContact O-CA 3.25Å; I244-L263 WeakPolarHBondContact O-CA 3.46Å; R246-L263 HydrophobicContact CG-CD1 4.37Å; R246-L263 HydrophobicContact CG-CD2 4.02Å; R246-L263 HydrophobicContact CG-CG 4.33Å; F257-L263 WeakPolarHBondContact CA-O 3.34Å; F258-L263 HydrophobicContact CB-CB 4.17Å; F258-L263 HydrophobicContact CB-CD2 3.84Å; F258-L263 HydrophobicContact CD1-CB 4.17Å; F258-L263 HydrophobicContact CD1-CD1 4.48Å; F258-L263 HydrophobicContact CD1-CD2 4.49Å; F258-L263 PolarHBondContact N-O 3.39Å; F258-L263 PolarHBondContact O-N 2.96Å; R261-L263 VanDerWaalsContact C-N 3.28Å
264V98.9Very high96.7Very high0 Ų043.3 Ų43.30%021%0.209CC..EExtended strand (participates in β ladder)trans-126.2131.817065.70000110.5L243 I244 C245 R246 Y255 E256 F257 L266 M283 F293L243-V264 HydrophobicContact CD1-CB 4.43Å; L243-V264 HydrophobicContact CD1-CG1 4.12Å; L243-V264 HydrophobicContact CD2-CG1 4.13Å; L243-V264 HydrophobicContact CG-CG1 4.4Å; I244-V264 PolarHBondContact O-N 3.41Å; C245-V264 HydrophobicContact CB-CG1 4.06Å; R246-V264 PolarHBondContact N-O 3.35Å; Y255-V264 HydrophobicContact CD2-CG2 4.43Å; E256-V264 WeakPolarHBondContact O-CA 3.43Å; F257-V264 HydrophobicContact CD1-CB 3.9Å; F257-V264 HydrophobicContact CD1-CG2 4.14Å; F257-V264 HydrophobicContact CE1-CB 3.91Å; F257-V264 HydrophobicContact CE1-CG2 4.11Å; V264-L266 HydrophobicContact CG2-CD2 4.3Å; V264-M283 HydrophobicContact CG1-CE 4.34Å; V264-M283 HydrophobicContact CG1-SD 4.02Å; V264-F293 HydrophobicContact CG2-CE1 3.86Å; V264-F293 HydrophobicContact CG2-CZ 3.96Å
265T98.9Very high96Very high4 Ų451 Ų513%0.02525%0.245CC..EExtended strand (participates in β ladder)trans-93.7130.8168.5-63.50000108.5R246 A247 Q249 V251 Y255 E256R246-T265 VanDerWaalsContact CD-OG1 3.26Å; R246-T265 WeakPolarHBondContact CD-OG1 3.28Å; R246-T265 CarbonylContact O-C 3.56Å; R246-T265 WeakPolarHBondContact O-CA 3.25Å; A247-T265 WeakPolarHBondContact O-CG2 3.48Å; Q249-T265 HydrophobicContact CB-CG2 4.19Å; V251-T265 HydrophobicContact CG1-CG2 3.78Å; V251-T265 HydrophobicContact CG2-CG2 4.36Å; Y255-T265 CarbonylContact C-O 3.56Å; Y255-T265 WeakPolarHBondContact CA-O 3.41Å; E256-T265 PolarHBondContact N-O 3.45Å; E256-T265 PolarHBondContact O-N 3.42Å
266L98.9Very high95.6Very high0 Ų052.3 Ų52.30%025%0.252CS..EExtended strand (participates in β ladder)trans-115.8134.5174.3-66.1-178.1000110.4I61 L90 C245 R246 A247 V264 M283 F293I61-L266 HydrophobicContact CB-CD1 4.12Å; I61-L266 HydrophobicContact CG2-CD1 3.95Å; I61-L266 WeakPolarHBondContact O-CD1 3.23Å; L90-L266 HydrophobicContact CD1-CB 4.45Å; L90-L266 HydrophobicContact CD1-CD1 4.33Å; C245-L266 VanDerWaalsContact SG-CD1 3.56Å; R246-L266 PolarHBondContact O-N 3.42Å; A247-L266 WeakPolarHBondContact CA-O 3.41Å; A247-L266 WeakPolarHBondContact CB-O 3.42Å; V264-L266 HydrophobicContact CG2-CD2 4.3Å; L266-M283 HydrophobicContact CD1-CB 3.78Å; L266-M283 HydrophobicContact CD2-CB 4.17Å; L266-F293 HydrophobicContact CD2-CD1 4.1Å; L266-F293 HydrophobicContact CD2-CE1 3.88Å
267F98.8Very high95.3Very high2 Ų254 Ų541%0.00927%0.265CS..BIsolated β-bridgetrans-134.1123.5172.8-161.6-90.6000108.5D64 Q249 V250 V251 G254 A269 Y272 G280 A281D64-F267 HydrophobicContact CB-CD2 3.85Å; D64-F267 HydrophobicContact CB-CE2 3.53Å; D64-F267 HydrophobicContact CB-CZ 3.98Å; D64-F267 WeakPolarHBondContact OD2-CE2 3.38Å; Q249-F267 WeakPolarHBondContact O-CD2 3.45Å; V250-F267 HydrophobicContact CG1-CE1 4.49Å; V250-F267 HydrophobicContact CG2-CD2 4.32Å; V250-F267 HydrophobicContact CG2-CE1 4.08Å; V250-F267 HydrophobicContact CG2-CE2 3.77Å; V250-F267 HydrophobicContact CG2-CZ 3.65Å; V251-F267 HydrophobicContact CG2-CB 4.09Å; G254-F267 WeakPolarHBondContact CA-O 3.26Å; G254-F267 PolarHBondContact O-N 3.11Å; G254-F267 VanDerWaalsContact O-O 3.13Å; F267-A269 HydrophobicContact CD1-CB 4.3Å; F267-A269 HydrophobicContact CE1-CB 3.64Å; F267-A269 VanDerWaalsContact CE1-O 3.26Å; F267-A269 WeakPolarHBondContact CE1-O 3.42Å; F267-A269 HydrophobicContact CZ-CB 4.27Å; F267-Y272 HydrophobicContact CE1-CD1 4.49Å; F267-Y272 AromaticContact CE1-CD2 3.89Å; F267-Y272 HydrophobicContact CE1-CD2 3.89Å; F267-Y272 AromaticContact CE1-CG 3.8Å; F267-Y272 HydrophobicContact CE1-CG 3.8Å; F267-Y272 HydrophobicContact CZ-CD1 4.04Å; F267-Y272 AromaticContact CZ-CD2 3.65Å; F267-Y272 HydrophobicContact CZ-CD2 3.65Å; F267-Y272 HydrophobicContact CZ-CE1 4.31Å; F267-Y272 AromaticContact CZ-CE2 3.94Å; F267-Y272 HydrophobicContact CZ-CE2 3.94Å; F267-Y272 AromaticContact CZ-CG 3.68Å; F267-Y272 HydrophobicContact CZ-CG 3.68Å; F267-G280 CarbonylContact O-C 3.56Å; F267-G280 WeakPolarHBondContact O-CA 3.39Å; F267-A281 PolarHBondContact O-N 2.76Å
268S98.7Very high95.3Very high2 Ų251 Ų511%0.01425%0.251CS..  trans-108.3-0.5-168.1-61.90000114.1G63 D64 P270 A281G63-S268 PolarHBondContact N-OG 3.26Å; D64-S268 CarbonylContact O-C 3.55Å; D64-S268 VanDerWaalsContact O-C 3.27Å; D64-S268 WeakPolarHBondContact O-CA 3.33Å; D64-S268 WeakPolarHBondContact O-CB 3.26Å; D64-S268 PolarHBondContact O-N 3.04Å; D64-S268 VanDerWaalsContact O-N 3.16Å; S268-P270 WeakPolarHBondContact O-CD 3.37Å; S268-A281 PolarHBondContact OG-O 3.14Å
269A97.8Very high95.2Very high1 Ų149.8 Ų49.81%0.00825%0.248CC..  trans-96.798.2175.800000111.2D64 Q68 F267 Y272 N278D64-A269 PolarHBondContact O-N 2.91Å; Q68-A269 HydrophobicContact CG-CB 4.36Å; F267-A269 HydrophobicContact CD1-CB 4.3Å; F267-A269 HydrophobicContact CE1-CB 3.64Å; F267-A269 VanDerWaalsContact CE1-O 3.26Å; F267-A269 WeakPolarHBondContact CE1-O 3.42Å; F267-A269 HydrophobicContact CZ-CB 4.27Å; A269-Y272 HydrophobicContact CB-CD2 4.15Å; A269-N278 PolarHBondContact O-ND2 3.29Å
270P96.8Very high95.2Very high2 Ų249.2 Ų49.21%0.01324%0.243CC..THydrogen-bonded Turntrans-68.4148.4178.229-35.8000111.8Q68 D71 S268 Y272 L296 P298Q68-P270 PolarHBondContact NE2-O 3.4Å; D71-P270 HydrophobicContact CB-CG 4.02Å; S268-P270 WeakPolarHBondContact O-CD 3.37Å; P270-Y272 VanDerWaalsContact C-N 3.27Å; P270-Y272 PolarHBondContact O-N 3.45Å; P270-L296 HydrophobicContact CG-CD2 4.04Å; P270-L296 HydrophobicContact CG-CG 4.37Å; P270-P298 HydrophobicContact CB-CG 4.34Å
271N95.1Very high95.2Very high41 Ų4139.8 Ų39.822%0.21920%0.202CC..THydrogen-bonded Turntrans47.753.9-178.4167.781.1000110.7C273 G274 F276 N278 P298N271-C273 PolarHBondContact O-N 3.03Å; N271-G274 WeakPolarHBondContact O-CA 3.48Å; N271-G274 PolarHBondContact O-N 3.02Å; N271-F276 CarbonylContact C-O 3.5Å; N271-F276 WeakPolarHBondContact CA-O 3.26Å; N271-F276 PolarHBondContact OD1-O 3.17Å; N271-N278 PolarHBondContact N-O 2.99Å; N271-N278 PolarHBondContact N-OD1 3.14Å; N271-P298 HydrophobicContact CB-CB 3.83Å; N271-P298 HydrophobicContact CB-CG 3.9Å
272Y93.3Very high95.2Very high22 Ų2231.4 Ų31.49%0.08617%0.171CC..G310 helixtrans-53.7130.8-169.1-179.4-123.7000111.4H66 R96 V250 F267 A269 P270 G274 E275 F276 N278H66-Y272 HydrophobicContact CB-CE2 3.74Å; H66-Y272 AromaticContact CD2-CE2 3.22Å; H66-Y272 WeakPolarHBondContact CD2-CE2 3.36Å; H66-Y272 AromaticContact CD2-CZ 3.55Å; H66-Y272 PolarHBondContact CD2-OH 3.2Å; H66-Y272 VanDerWaalsContact CD2-OH 3.24Å; H66-Y272 AromaticContact CG-CE2 3.69Å; H66-Y272 AromaticContact NE2-CE2 4Å; H66-Y272 AromaticContact NE2-CZ 3.82Å; H66-Y272 PolarHBondContact NE2-OH 2.73Å; H66-Y272 VanDerWaalsContact NE2-OH 3.1Å; R96-Y272 HydrophobicContact CB-CE2 4.37Å; R96-Y272 WeakPolarHBondContact CG-OH 3.17Å; V250-Y272 HydrophobicContact CG2-CD1 3.53Å; V250-Y272 HydrophobicContact CG2-CE1 4.03Å; V250-Y272 HydrophobicContact CG2-CG 4.19Å; F267-Y272 HydrophobicContact CE1-CD1 4.49Å; F267-Y272 AromaticContact CE1-CD2 3.89Å; F267-Y272 HydrophobicContact CE1-CD2 3.89Å; F267-Y272 AromaticContact CE1-CG 3.8Å; F267-Y272 HydrophobicContact CE1-CG 3.8Å; F267-Y272 HydrophobicContact CZ-CD1 4.04Å; F267-Y272 AromaticContact CZ-CD2 3.65Å; F267-Y272 HydrophobicContact CZ-CD2 3.65Å; F267-Y272 HydrophobicContact CZ-CE1 4.31Å; F267-Y272 AromaticContact CZ-CE2 3.94Å; F267-Y272 HydrophobicContact CZ-CE2 3.94Å; F267-Y272 AromaticContact CZ-CG 3.68Å; F267-Y272 HydrophobicContact CZ-CG 3.68Å; A269-Y272 HydrophobicContact CB-CD2 4.15Å; P270-Y272 VanDerWaalsContact C-N 3.27Å; P270-Y272 PolarHBondContact O-N 3.45Å; Y272-G274 PolarHBondContact O-N 2.89Å; Y272-E275 PolarHBondContact O-N 3.04Å; Y272-F276 AromaticContact CD1-CD2 3.79Å; Y272-F276 HydrophobicContact CD1-CD2 3.79Å; Y272-F276 AromaticContact CD1-CE2 3.89Å; Y272-F276 HydrophobicContact CD1-CE2 3.89Å; Y272-F276 HydrophobicContact CG-CD2 4.43Å; Y272-F276 WeakPolarHBondContact O-CD2 3.39Å; Y272-F276 PolarHBondContact O-N 3.38Å; Y272-N278 WeakPolarHBondContact CB-OD1 3.38Å; Y272-N278 PolarHBondContact N-OD1 3.35Å
273C85.4Confident95.2Very high50 Ų5028.4 Ų28.434%0.33816%0.157SC..G310 helixtrans56.13.3-175.2-66.30000115.6N271 E275N271-C273 PolarHBondContact O-N 3.03Å; C273-E275 HydrophobicContact CB-CB 4.47Å; C273-E275 HydrophobicContact CB-CG 4.26Å
274G84.1Confident95.2Very high46 Ų4629.1 Ų29.147%0.47416%0.162SC..G310 helixtrans70.315.3-16800000114.6N271 Y272N271-G274 WeakPolarHBondContact O-CA 3.48Å; N271-G274 PolarHBondContact O-N 3.02Å; Y272-G274 PolarHBondContact O-N 2.89Å
275E83.7Confident95.2Very high162 Ų16229.3 Ų29.376%0.75716%0.163SC*.THydrogen-bonded Turntrans-112.5-28.8-176.6-65.2-179.6178.300112.3Y272 C273Y272-E275 PolarHBondContact O-N 3.04Å; C273-E275 HydrophobicContact CB-CB 4.47Å; C273-E275 HydrophobicContact CB-CG 4.26Å
276F89.8Confident95.2Very high93 Ų9331.6 Ų31.641%0.40818%0.175SC..  trans-100.3152176.7-63.1-96.2000110.3V250 N271 Y272 N278V250-F276 HydrophobicContact CG1-CB 4.33Å; V250-F276 HydrophobicContact CG1-CD1 4.02Å; V250-F276 HydrophobicContact CG1-CG 4.15Å; N271-F276 CarbonylContact C-O 3.5Å; N271-F276 WeakPolarHBondContact CA-O 3.26Å; N271-F276 PolarHBondContact OD1-O 3.17Å; Y272-F276 AromaticContact CD1-CD2 3.79Å; Y272-F276 HydrophobicContact CD1-CD2 3.79Å; Y272-F276 AromaticContact CD1-CE2 3.89Å; Y272-F276 HydrophobicContact CD1-CE2 3.89Å; Y272-F276 HydrophobicContact CG-CD2 4.43Å; Y272-F276 WeakPolarHBondContact O-CD2 3.39Å; Y272-F276 PolarHBondContact O-N 3.38Å; F276-N278 VanDerWaalsContact CB-OD1 3.29Å; F276-N278 WeakPolarHBondContact CB-OD1 3.36Å
277D92.8Very high95Very high150 Ų15039.1 Ų39.180%0.80221%0.211SC*.  trans-98.820174.6-75.6-31.1000112.2
278N97Very high94.9Very high5 Ų544.4 Ų44.43%0.02724%0.243CC..PPolyproline II helixtrans-69.1151.6-177.372.1-69.3000113.1V250 V251 E252 A269 N271 Y272 F276 P298V250-N278 HydrophobicContact CG1-CB 3.79Å; V251-N278 WeakPolarHBondContact O-CB 3.38Å; E252-N278 CarbonylContact O-C 3.49Å; E252-N278 VanDerWaalsContact O-CA 3.31Å; E252-N278 WeakPolarHBondContact O-CA 3.29Å; A269-N278 PolarHBondContact O-ND2 3.29Å; N271-N278 PolarHBondContact N-O 2.99Å; N271-N278 PolarHBondContact N-OD1 3.14Å; Y272-N278 WeakPolarHBondContact CB-OD1 3.38Å; Y272-N278 PolarHBondContact N-OD1 3.35Å; F276-N278 VanDerWaalsContact CB-OD1 3.29Å; F276-N278 WeakPolarHBondContact CB-OD1 3.36Å; N278-P298 WeakPolarHBondContact O-CG 3.22Å
279A97.3Very high94.7Very high7 Ų746.7 Ų46.76%0.05826%0.255CS..PPolyproline II helixtrans-81166.5161.300000111.4E252 G254 I295E252-A279 PolarHBondContact O-N 2.98Å; G254-A279 VanDerWaalsContact CA-O 3.24Å; G254-A279 WeakPolarHBondContact CA-O 3.27Å; G254-A279 PolarHBondContact N-O 3Å; A279-I295 HydrophobicContact CB-CG2 3.52Å
280G98.3Very high94.7Very high1 Ų152.2 Ų52.21%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-100.1152.316300000109.6F267 I295 L296F267-G280 CarbonylContact O-C 3.56Å; F267-G280 WeakPolarHBondContact O-CA 3.39Å; G280-I295 CarbonylContact O-C 3.27Å; G280-I295 WeakPolarHBondContact O-CA 3.42Å; G280-L296 PolarHBondContact N-O 3.34Å; G280-L296 PolarHBondContact O-N 3.07Å
281A98.6Very high94.8Very high3 Ų354.2 Ų54.23%0.02530%0.296CS..EExtended strand (participates in β ladder)trans-135.7160.1170.700000112.4G254 Y255 F267 S268 Q294G254-A281 VanDerWaalsContact C-CB 3.42Å; G254-A281 WeakPolarHBondContact O-CB 3.33Å; Y255-A281 HydrophobicContact CD1-CB 4.28Å; F267-A281 PolarHBondContact O-N 2.76Å; S268-A281 PolarHBondContact OG-O 3.14Å; A281-Q294 WeakPolarHBondContact CA-O 3.45Å
282M98.5Very high94.9Very high5 Ų555 Ų553%0.02530%0.304CS..EExtended strand (participates in β ladder)trans-125.8146.8160.266.5177.881.600109.1K60 I61 L75 F293 Q294K60-M282 HydrophobicContact CB-SD 4.42Å; K60-M282 HydrophobicContact CD-SD 3.93Å; K60-M282 HydrophobicContact CG-SD 4.45Å; I61-M282 CarbonylContact O-C 3.52Å; I61-M282 WeakPolarHBondContact O-CA 3.41Å; L75-M282 HydrophobicContact CB-CE 4.35Å; L75-M282 HydrophobicContact CD1-CE 4.42Å; L75-M282 HydrophobicContact CD2-CE 3.3Å; L75-M282 HydrophobicContact CD2-SD 4.38Å; L75-M282 HydrophobicContact CG-CE 3.39Å; L75-M282 VanDerWaalsContact O-CE 3.32Å; L75-M282 WeakPolarHBondContact O-CE 3.43Å; M282-F293 WeakPolarHBondContact O-CA 3.41Å; M282-Q294 HydrophobicContact CG-CB 3.72Å; M282-Q294 HydrophobicContact CG-CG 4.41Å; M282-Q294 PolarHBondContact N-O 3.44Å; M282-Q294 PolarHBondContact O-N 3.08Å; M282-Q294 HydrophobicContact SD-CB 4.3Å; M282-Q294 PolarHBondContact SD-OE1 2.94Å
283M98.8Very high95.2Very high0 Ų056.2 Ų56.20%031%0.31CS..EExtended strand (participates in β ladder)trans-98.9120172.6-173170.972.500109.4K60 I61 L243 C245 V264 L266 V285 C291 S292 F293K60-M283 CarbonylContact C-O 3.45Å; K60-M283 WeakPolarHBondContact CA-O 3.49Å; I61-M283 HydrophobicContact CD1-CE 3.79Å; I61-M283 PolarHBondContact N-O 2.92Å; I61-M283 PolarHBondContact O-N 2.89Å; L243-M283 HydrophobicContact CD2-CE 4.13Å; L243-M283 HydrophobicContact CD2-SD 4.35Å; C245-M283 HydrophobicContact CB-CE 4.12Å; V264-M283 HydrophobicContact CG1-CE 4.34Å; V264-M283 HydrophobicContact CG1-SD 4.02Å; L266-M283 HydrophobicContact CD1-CB 3.78Å; L266-M283 HydrophobicContact CD2-CB 4.17Å; M283-V285 HydrophobicContact CE-CG2 3.95Å; M283-V285 HydrophobicContact CG-CG2 4.41Å; M283-C291 HydrophobicContact CG-CB 4.11Å; M283-C291 HydrophobicContact SD-CB 3.86Å; M283-S292 CarbonylContact C-O 3.51Å; M283-S292 WeakPolarHBondContact CA-O 3.39Å; M283-F293 HydrophobicContact CB-CD1 4.08Å; M283-F293 HydrophobicContact CB-CE1 3.9Å; M283-F293 HydrophobicContact CG-CD1 4.22Å; M283-F293 HydrophobicContact CG-CE1 3.78Å; M283-F293 HydrophobicContact CG-CZ 4.18Å; M283-F293 HydrophobicContact SD-CE1 3.78Å; M283-F293 HydrophobicContact SD-CZ 3.87Å
284S98.7Very high95.8Very high16 Ų1655.9 Ų55.911%0.11230%0.303CS..EExtended strand (participates in β ladder)trans-90125168.8-61.20000109.1K60 C291 S292 Q294K60-S284 PolarHBondContact NZ-OG 2.97Å; S284-C291 WeakPolarHBondContact O-CA 3.27Å; S284-S292 PolarHBondContact N-O 2.9Å; S284-S292 PolarHBondContact O-N 3.25Å; S284-Q294 PolarHBondContact OG-OE1 3.17Å
285V98.6Very high96.4Very high3 Ų356.6 Ų56.62%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-108.4120.3172.2-172.60000106.8A57 P58 L59 I61 I169 M283 L289A57-V285 HydrophobicContact CB-CG1 4.06Å; P58-V285 VanDerWaalsContact CA-O 3.25Å; P58-V285 WeakPolarHBondContact CA-O 3.26Å; L59-V285 HydrophobicContact CD2-CB 3.98Å; L59-V285 HydrophobicContact CD2-CG2 4.36Å; L59-V285 PolarHBondContact N-O 2.58Å; L59-V285 PolarHBondContact O-N 3.3Å; I61-V285 HydrophobicContact CD1-CG2 4.08Å; I169-V285 HydrophobicContact CD1-CG1 3.94Å; I169-V285 HydrophobicContact CD1-CG2 4.03Å; M283-V285 HydrophobicContact CE-CG2 3.95Å; M283-V285 HydrophobicContact CG-CG2 4.41Å; V285-L289 HydrophobicContact CG1-CD2 3.75Å
286D97.8Very high96.9Very high52 Ų5249.9 Ų49.928%0.27827%0.265SS..  trans-89.5175.5175.673.817.3000112.5A57 T288 L289 M290A57-D286 WeakPolarHBondContact CB-O 3.5Å; D286-T288 PolarHBondContact O-N 2.83Å; D286-T288 WeakPolarHBondContact OD1-CA 3.33Å; D286-T288 WeakPolarHBondContact OD1-CB 3.48Å; D286-T288 PolarHBondContact OD1-N 2.99Å; D286-T288 PolarHBondContact OD1-OG1 2.88Å; D286-L289 WeakPolarHBondContact O-CA 3.18Å; D286-L289 PolarHBondContact O-N 2.91Å; D286-L289 PolarHBondContact OD1-N 3.28Å; D286-M290 PolarHBondContact N-O 3.39Å; D286-M290 WeakPolarHBondContact OD1-CB 3.36Å; D286-M290 PolarHBondContact OD1-N 3.47Å; D286-M290 WeakPolarHBondContact OD2-CB 3.17Å; D286-M290 WeakPolarHBondContact OD2-CE 3.42Å
287E96.3Very high97Very high159 Ų15952.8 Ų52.874%0.74328%0.277SS*.THydrogen-bonded Turntrans-58.1-15.7-179.5-65.7172.8-167.400114.1P58P58-E287 HydrophobicContact CG-CG 4.3Å
288T96.4Very high96.7Very high112 Ų11248 Ų4869%0.68725%0.254SS*.THydrogen-bonded Turntrans-99.510.1176.769.80000112.9D286 M290D286-T288 PolarHBondContact O-N 2.83Å; D286-T288 WeakPolarHBondContact OD1-CA 3.33Å; D286-T288 WeakPolarHBondContact OD1-CB 3.48Å; D286-T288 PolarHBondContact OD1-N 2.99Å; D286-T288 PolarHBondContact OD1-OG1 2.88Å; T288-M290 PolarHBondContact O-N 3.31Å
289L94.8Very high95.8Very high51 Ų5150.7 Ų50.727%0.26728%0.278SS..  trans61.417.6-171.6-68171.8000114.1D166 K168 I169 V285 D286 C291D166-L289 HydrophobicContact CB-CD1 4.09Å; D166-L289 HydrophobicContact CB-CD2 3.75Å; D166-L289 HydrophobicContact CB-CG 4.25Å; D166-L289 WeakPolarHBondContact OD2-CD2 3.01Å; K168-L289 HydrophobicContact CB-CD1 3.86Å; K168-L289 HydrophobicContact CG-CD1 3.83Å; I169-L289 HydrophobicContact CD1-CD2 4.15Å; V285-L289 HydrophobicContact CG1-CD2 3.75Å; D286-L289 WeakPolarHBondContact O-CA 3.18Å; D286-L289 PolarHBondContact O-N 2.91Å; D286-L289 PolarHBondContact OD1-N 3.28Å; L289-C291 PolarHBondContact O-N 3.02Å
290M97.4Very high94.5Very high116 Ų11659.3 Ų59.357%0.57132%0.317SS*.  trans-71.4117.7174.1-174.4178.157.100109.2D286 T288D286-M290 PolarHBondContact N-O 3.39Å; D286-M290 WeakPolarHBondContact OD1-CB 3.36Å; D286-M290 PolarHBondContact OD1-N 3.47Å; D286-M290 WeakPolarHBondContact OD2-CB 3.17Å; D286-M290 WeakPolarHBondContact OD2-CE 3.42Å; T288-M290 PolarHBondContact O-N 3.31Å
291C98.4Very high92.7Very high45 Ų4567.4 Ų67.430%0.30435%0.352SS..EExtended strand (participates in β ladder)trans-90.8125.2178.5-63.90000110.9M283 S284 L289M283-C291 HydrophobicContact CG-CB 4.11Å; M283-C291 HydrophobicContact SD-CB 3.86Å; S284-C291 WeakPolarHBondContact O-CA 3.27Å; L289-C291 PolarHBondContact O-N 3.02Å
292S98.2Very high90.4Very high57 Ų5776.8 Ų76.840%0.39939%0.392SS..EExtended strand (participates in β ladder)trans-129.3154.1173.561.30000111.1M283 S284M283-S292 CarbonylContact C-O 3.51Å; M283-S292 WeakPolarHBondContact CA-O 3.39Å; S284-S292 PolarHBondContact N-O 2.9Å; S284-S292 PolarHBondContact O-N 3.25Å
293F98.4Very high87.6Confident47 Ų4785.5 Ų85.521%0.20643%0.43CS..EExtended strand (participates in β ladder)trans-114.5130.1-174.7-59.2-86.3000111.2Y255 F257 V264 L266 M282 M283Y255-F293 HydrophobicContact CD1-CB 4.06Å; Y255-F293 HydrophobicContact CD1-CD1 4Å; Y255-F293 AromaticContact CD1-CG 3.97Å; Y255-F293 HydrophobicContact CD1-CG 3.97Å; Y255-F293 AromaticContact CD2-CD1 3.74Å; Y255-F293 HydrophobicContact CD2-CD1 3.74Å; Y255-F293 AromaticContact CD2-CD2 3.98Å; Y255-F293 HydrophobicContact CD2-CD2 3.98Å; Y255-F293 AromaticContact CD2-CE1 3.67Å; Y255-F293 HydrophobicContact CD2-CE1 3.67Å; Y255-F293 AromaticContact CD2-CE2 3.93Å; Y255-F293 HydrophobicContact CD2-CE2 3.93Å; Y255-F293 AromaticContact CD2-CG 3.9Å; Y255-F293 HydrophobicContact CD2-CG 3.9Å; Y255-F293 AromaticContact CD2-CZ 3.78Å; Y255-F293 HydrophobicContact CD2-CZ 3.78Å; Y255-F293 HydrophobicContact CE1-CB 4.06Å; Y255-F293 HydrophobicContact CE1-CD2 4.47Å; Y255-F293 HydrophobicContact CE1-CG 4.12Å; Y255-F293 HydrophobicContact CE2-CD1 4.36Å; Y255-F293 AromaticContact CE2-CD2 3.79Å; Y255-F293 HydrophobicContact CE2-CD2 3.79Å; Y255-F293 HydrophobicContact CE2-CE1 4.42Å; Y255-F293 AromaticContact CE2-CE2 3.88Å; Y255-F293 HydrophobicContact CE2-CE2 3.88Å; Y255-F293 HydrophobicContact CE2-CG 4.05Å; Y255-F293 HydrophobicContact CE2-CZ 4.2Å; Y255-F293 HydrophobicContact CG-CB 4.43Å; Y255-F293 AromaticContact CG-CD1 3.54Å; Y255-F293 HydrophobicContact CG-CD1 3.54Å; Y255-F293 HydrophobicContact CG-CD2 4.4Å; Y255-F293 AromaticContact CG-CE1 3.83Å; Y255-F293 HydrophobicContact CG-CE1 3.83Å; Y255-F293 AromaticContact CG-CG 3.86Å; Y255-F293 HydrophobicContact CG-CG 3.86Å; Y255-F293 HydrophobicContact CG-CZ 4.4Å; F257-F293 HydrophobicContact CE1-CZ 4.24Å; F257-F293 AromaticContact CE2-CE2 3.8Å; F257-F293 HydrophobicContact CE2-CE2 3.8Å; F257-F293 HydrophobicContact CE2-CZ 4.03Å; F257-F293 AromaticContact CZ-CE2 3.6Å; F257-F293 HydrophobicContact CZ-CE2 3.6Å; F257-F293 AromaticContact CZ-CZ 3.56Å; F257-F293 HydrophobicContact CZ-CZ 3.56Å; V264-F293 HydrophobicContact CG2-CE1 3.86Å; V264-F293 HydrophobicContact CG2-CZ 3.96Å; L266-F293 HydrophobicContact CD2-CD1 4.1Å; L266-F293 HydrophobicContact CD2-CE1 3.88Å; M282-F293 WeakPolarHBondContact O-CA 3.41Å; M283-F293 HydrophobicContact CB-CD1 4.08Å; M283-F293 HydrophobicContact CB-CE1 3.9Å; M283-F293 HydrophobicContact CG-CD1 4.22Å; M283-F293 HydrophobicContact CG-CE1 3.78Å; M283-F293 HydrophobicContact CG-CZ 4.18Å; M283-F293 HydrophobicContact SD-CE1 3.78Å; M283-F293 HydrophobicContact SD-CZ 3.87Å
294Q97.6Very high85Confident43 Ų4391.2 Ų91.220%0.20147%0.467CS..EExtended strand (participates in β ladder)trans-106.2114.8170.2-63.3179.7-87.800108.5Y78 A281 M282 S284Y78-Q294 HydrophobicContact CD1-CB 3.92Å; Y78-Q294 HydrophobicContact CE1-CB 3.85Å; Y78-Q294 HydrophobicContact CE1-CG 4.42Å; Y78-Q294 PolarHBondContact O-NE2 2.82Å; Y78-Q294 VanDerWaalsContact O-NE2 3.1Å; A281-Q294 WeakPolarHBondContact CA-O 3.45Å; M282-Q294 HydrophobicContact CG-CB 3.72Å; M282-Q294 HydrophobicContact CG-CG 4.41Å; M282-Q294 PolarHBondContact N-O 3.44Å; M282-Q294 PolarHBondContact O-N 3.08Å; M282-Q294 HydrophobicContact SD-CB 4.3Å; M282-Q294 PolarHBondContact SD-OE1 2.94Å; S284-Q294 PolarHBondContact OG-OE1 3.17Å
295I97.2Very high82.4Confident61 Ų6198 Ų9831%0.31350%0.502SS..EExtended strand (participates in β ladder)trans-99.4121.2-172.9-54.6171.2000110.3Y255 A279 G280Y255-I295 HydrophobicContact CD1-CD1 4.44Å; Y255-I295 HydrophobicContact CD1-CG1 4.44Å; Y255-I295 HydrophobicContact CE1-CD1 3.86Å; Y255-I295 HydrophobicContact CE1-CG1 4.28Å; A279-I295 HydrophobicContact CB-CG2 3.52Å; G280-I295 CarbonylContact O-C 3.27Å; G280-I295 WeakPolarHBondContact O-CA 3.42Å
296L93.4Very high79.9Confident22 Ų22101.4 Ų101.412%0.11554%0.538CS..EExtended strand (participates in β ladder)trans-92.899.4171.8-171.867.3000110D71 R74 P270 G280D71-L296 HydrophobicContact CB-CD2 4.33Å; R74-L296 HydrophobicContact CB-CD1 4.11Å; R74-L296 HydrophobicContact CB-CD2 4.02Å; P270-L296 HydrophobicContact CG-CD2 4.04Å; P270-L296 HydrophobicContact CG-CG 4.37Å; G280-L296 PolarHBondContact N-O 3.34Å; G280-L296 PolarHBondContact O-N 3.07Å
297K91.8Very high77.4Confident153 Ų153104.1 Ų104.167%0.66556%0.561SS**PPolyproline II helixtrans-67.6151.2173.8-68-173.3177.2-174.60111.7R74 A299R74-K297 PolarHBondContact NH2-O 3.47Å; K297-A299 PolarHBondContact O-N 2.79Å
298P87.8Confident74.9Confident49 Ų49107.4 Ų107.432%0.31857%0.566SS.*PPolyproline II helixtrans-49.3139.5172.5-28.536.4000111.8P270 N271 N278 E300P270-P298 HydrophobicContact CB-CG 4.34Å; N271-P298 HydrophobicContact CB-CB 3.83Å; N271-P298 HydrophobicContact CB-CG 3.9Å; N278-P298 WeakPolarHBondContact O-CG 3.22Å; P298-E300 PolarHBondContact O-N 3.07Å
299A77.6Confident72.4Confident63 Ų63107.8 Ų107.852%0.52157%0.571SS.*PPolyproline II helixtrans-63.4132.4174.300000109.5K297 K301K297-A299 PolarHBondContact O-N 2.79Å; A299-K301 PolarHBondContact O-N 3.13Å; A299-K301 VanDerWaalsContact O-N 3.16Å
300E69.4Low70.1Confident187 Ų187111.7 Ų111.787%0.87460%0.597SS**PPolyproline II helixtrans-57.4123.8176.8-68.4-171.8169.500110.1P298 K302P298-E300 PolarHBondContact O-N 3.07Å; E300-K302 PolarHBondContact O-N 3.28Å
301K60.9Low67.5Low172 Ų172112.1 Ų112.175%0.74861%0.606SS**  trans-63.8100.7167.7-69.9176.9-175.91660106.6A299 K303A299-K301 PolarHBondContact O-N 3.13Å; A299-K301 VanDerWaalsContact O-N 3.16Å; K301-K303 PolarHBondContact O-N 2.93Å
302K50.9Low64.9Low199 Ų199115.1 Ų115.187%0.86563%0.625SS**  trans-51.7109.9167.4-81.5-172177.9179.90107E300E300-K302 PolarHBondContact O-N 3.28Å
303K38.9Very low62.1Low188 Ų188118.2 Ų118.282%0.81764%0.644SS**  trans-52.8126.2172-75.5-178.4178.9174.60106.2K301 N305K301-K303 PolarHBondContact O-N 2.93Å; K303-N305 PolarHBondContact O-N 2.62Å; K303-N305 VanDerWaalsContact O-N 3.12Å
304P45.6Very low59.6Low121 Ų121127.8 Ų127.879%0.78668%0.678SS**  trans-55.6126.7170.722.1-29.4000106.8G306P304-G306 PolarHBondContact O-N 3.17Å
305N42.7Very low56.8Low158 Ų158133.1 Ų133.185%0.84571%0.708SS**  trans-45113.1176.1-88.9-13.6000108.1K303 S307K303-N305 PolarHBondContact O-N 2.62Å; K303-N305 VanDerWaalsContact O-N 3.12Å; N305-S307 PolarHBondContact O-N 3.09Å
306G46.6Very low54.1Low75 Ų75138.8 Ų138.877%0.77374%0.736SS**  trans-72.869.3-176.400000111.1P304 R308P304-G306 PolarHBondContact O-N 3.17Å; G306-R308 PolarHBondContact O-N 3.27Å; G306-R308 VanDerWaalsContact O-N 3.16Å
307S45.4Very low51.8Low108 Ų108144.4 Ų144.476%0.75577%0.77SS**  trans-79.581.6154.160.10000107N305 P309N305-S307 PolarHBondContact O-N 3.09Å; S307-P309 WeakPolarHBondContact O-CD 3.44Å
308R44.7Very low49.3Very low228 Ų228142.8 Ų142.886%0.8677%0.774SS**  trans-58.5126.9165.4-76-177.5174-179.9-1.7107.3G306 V310G306-R308 PolarHBondContact O-N 3.27Å; G306-R308 VanDerWaalsContact O-N 3.16Å; R308-V310 PolarHBondContact O-N 3.07Å
309P42.8Very low47.1Very low121 Ų121150.4 Ų150.479%0.78680%0.801SS**  trans-61123.1166.3-11.825.2000107.4S307 T311S307-P309 WeakPolarHBondContact O-CD 3.44Å; P309-T311 PolarHBondContact O-N 2.62Å; P309-T311 VanDerWaalsContact O-N 3.15Å
310V46.5Very low45.4Very low133 Ų133156.1 Ų156.181%0.80682%0.817SS**  trans-65.4113.3173.1177.30000107.4R308R308-V310 PolarHBondContact O-N 3.07Å
311T43.6Very low44Very low125 Ų125150.6 Ų150.677%0.76781%0.811SS**PPolyproline II helixtrans-61.7123.5170.4-40.10000108.4P309P309-T311 PolarHBondContact O-N 2.62Å; P309-T311 VanDerWaalsContact O-N 3.15Å
312P42.1Very low43.1Very low108 Ų108152.1 Ų152.170%0.70182%0.817SS**PPolyproline II helixtrans-67.1141.3178.41.56.8000110.3R314P312-R314 PolarHBondContact O-N 3.06Å
313P40.8Very low42.4Very low122 Ų122156.3 Ų156.379%0.79284%0.835SS**PPolyproline II helixtrans-63.7135.4178.622.9-29.5000111.1N315P313-N315 PolarHBondContact O-N 2.87Å
314R45.2Very low42.6Very low248 Ų248154.7 Ų154.794%0.93684%0.836SS**PPolyproline II helixtrans-70.4116.6-177.3-158.4174.1-173.6174.71.5109.5P312 M316P312-R314 PolarHBondContact O-N 3.06Å; R314-M316 PolarHBondContact O-N 3.33Å
315N40Very low42.4Very low154 Ų154156.5 Ų156.582%0.82484%0.839SS**PPolyproline II helixtrans-49.5128.4176.7-80.1-25000112.2P313 V317P313-N315 PolarHBondContact O-N 2.87Å; N315-V317 PolarHBondContact O-N 3.4Å
316M40.5Very low42.4Very low181 Ų181156.4 Ų156.489%0.89284%0.839SS**PPolyproline II helixtrans-64.9121166.8-70.1-178.9173.500109.2R314 T318R314-M316 PolarHBondContact O-N 3.33Å; M316-T318 PolarHBondContact O-N 3.26Å; M316-T318 VanDerWaalsContact O-N 3.14Å
317V44Very low42.1Very low140 Ų140161.2 Ų161.285%0.84884%0.843SS**  trans-68.6107.1171.1177.30000108.2N315 K319N315-V317 PolarHBondContact O-N 3.4Å; V317-K319 PolarHBondContact O-N 2.9Å
318T40.4Very low41.9Very low119 Ų119164.5 Ų164.573%0.7385%0.848SS**  trans-66.9115.6167.842.60000109.7M316 Q320M316-T318 PolarHBondContact O-N 3.26Å; M316-T318 VanDerWaalsContact O-N 3.14Å; T318-Q320 PolarHBondContact O-N 2.76Å
319K40.8Very low41.7Very low208 Ų208160.3 Ų160.390%0.90485%0.847SS**  trans-62108.7161.3-84.2179.9172.7178.10108.7V317V317-K319 PolarHBondContact O-N 2.9Å
320Q41.9Very low41.7Very low183 Ų183163.1 Ų163.186%0.85585%0.852SS**  trans-89112.4158.5-81-176.6-3.700108.4T318T318-Q320 PolarHBondContact O-N 2.76Å
321G39.2Very low41.3Very low71 Ų71165.4 Ų165.473%0.73286%0.855SS**  trans-81.4136.5155.700000109.3
322K42.1Very low41.1Very low204 Ų204168.8 Ų168.889%0.88786%0.862SS**  trans-169.788.1155.7-104.9-179-170.8-176.70109.8
323K36.3Very low41Very low287 Ų287174.3 Ų174.3100%1.24888%0.877SS**  168.60117-98.6-174.2173.5-177.30109.8

Retrieved 323 of 323 residues in 151.8 ms (Link to these results)

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