C4Q4W0_SCHMA Loading...

Prefoldin subunit 6

AlphaFold DB , UniProt , Accession C4Q4W0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 125 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
1M75Confident91.7Very high78 Ų7882.9 Ų82.938%0.38440%0.403SS..  0-78.90-49.5-39.4-77.600114.2V4 Y5 L114 E117 H118M1-V4 WeakPolarHBondContact O-CA 3.31Å; M1-V4 WeakPolarHBondContact O-CB 3.45Å; M1-V4 PolarHBondContact O-N 3.46Å; M1-Y5 HydrophobicContact CB-CD2 4.25Å; M1-Y5 HydrophobicContact CB-CE2 4.11Å; M1-Y5 HydrophobicContact CE-CE2 3.89Å; M1-Y5 WeakPolarHBondContact O-CD2 3.34Å; M1-Y5 PolarHBondContact O-N 2.86Å; M1-Y5 VanDerWaalsContact O-N 3.12Å; M1-L114 HydrophobicContact CE-CD2 3.51Å; M1-L114 HydrophobicContact SD-CD2 4.4Å; M1-E117 HydrophobicContact CE-CB 4.21Å; M1-E117 PolarHBondContact N-OE2 3.46Å; M1-E117 VanDerWaalsContact N-OE2 3.11Å; M1-E117 HydrophobicContact SD-CB 3.52Å; M1-E117 VanDerWaalsContact SD-CB 3.52Å; M1-E117 HydrophobicContact SD-CG 4.3Å; M1-H118 VanDerWaalsContact CE-NE2 3.29Å; M1-H118 WeakPolarHBondContact CE-NE2 3.2Å
2E84.7Confident92.1Very high144 Ų14480.5 Ų80.567%0.67339%0.392SS*.Hα-helixtrans-52-46.1-167.5-171.359.3-153.100115.6V4 Y5 K6E2-V4 VanDerWaalsContact C-N 3.27Å; E2-V4 PolarHBondContact O-N 2.82Å; E2-Y5 PolarHBondContact O-N 2.57Å; E2-K6 PolarHBondContact O-N 2.98Å
3P89.9Confident92.6Very high88 Ų8884.5 Ų84.557%0.57141%0.41SS*.Hα-helixtrans-65.6-28.2177.8-21.934.8000114R7P3-R7 WeakPolarHBondContact O-CG 3.39Å; P3-R7 PolarHBondContact O-N 2.94Å
4V91.3Very high92.9Very high12 Ų1285.9 Ų85.97%0.07341%0.413CS..Hα-helixtrans-75.5-43.1179.1-1750000110M1 E2 K6 R7 L8 L110 K113 L114M1-V4 WeakPolarHBondContact O-CA 3.31Å; M1-V4 WeakPolarHBondContact O-CB 3.45Å; M1-V4 PolarHBondContact O-N 3.46Å; E2-V4 VanDerWaalsContact C-N 3.27Å; E2-V4 PolarHBondContact O-N 2.82Å; V4-K6 PolarHBondContact O-N 3.44Å; V4-R7 PolarHBondContact O-N 2.9Å; V4-L8 WeakPolarHBondContact O-CB 3.48Å; V4-L8 PolarHBondContact O-N 2.97Å; V4-L110 HydrophobicContact CG1-CD2 3.94Å; V4-K113 HydrophobicContact CG2-CD 4.33Å; V4-L114 HydrophobicContact CB-CD2 3.91Å; V4-L114 HydrophobicContact CB-CG 4.35Å; V4-L114 HydrophobicContact CG1-CD1 4.23Å; V4-L114 HydrophobicContact CG1-CD2 3.75Å; V4-L114 HydrophobicContact CG1-CG 3.63Å
5Y92.2Very high93.3Very high84 Ų8481.4 Ų81.433%0.32940%0.395SS..Hα-helixtrans-59-45.4172.9-79.5-69.3000112M1 E2 R7 L8 N9 L114 H118M1-Y5 HydrophobicContact CB-CD2 4.25Å; M1-Y5 HydrophobicContact CB-CE2 4.11Å; M1-Y5 HydrophobicContact CE-CE2 3.89Å; M1-Y5 WeakPolarHBondContact O-CD2 3.34Å; M1-Y5 PolarHBondContact O-N 2.86Å; M1-Y5 VanDerWaalsContact O-N 3.12Å; E2-Y5 PolarHBondContact O-N 2.57Å; Y5-R7 VanDerWaalsContact C-N 3.34Å; Y5-R7 PolarHBondContact O-N 3.5Å; Y5-L8 WeakPolarHBondContact O-CB 3.45Å; Y5-L8 PolarHBondContact O-N 3.12Å; Y5-N9 PolarHBondContact O-N 3.46Å; Y5-L114 HydrophobicContact CD1-CD1 3.91Å; Y5-L114 HydrophobicContact CD1-CD2 4.38Å; Y5-L114 HydrophobicContact CD2-CD2 3.94Å; Y5-L114 HydrophobicContact CE1-CD1 3.76Å; Y5-L114 HydrophobicContact CE1-CD2 4.16Å; Y5-L114 HydrophobicContact CE2-CD2 3.68Å; Y5-L114 HydrophobicContact CG-CD1 4.47Å; Y5-L114 HydrophobicContact CG-CD2 4.27Å; Y5-H118 PolarHBondContact OH-NE2 3.03Å
6K94.9Very high93.5Very high157 Ų15783.1 Ų83.168%0.68340%0.402SS*.Hα-helixtrans-58.6-43.9176.7-172.2175.9-177.9175.90112.5E2 V4 A10E2-K6 PolarHBondContact O-N 2.98Å; V4-K6 PolarHBondContact O-N 3.44Å; K6-A10 PolarHBondContact O-N 2.82Å; K6-A10 VanDerWaalsContact O-N 3.1Å
7R95Very high93.8Very high168 Ų16880.4 Ų80.463%0.63440%0.402SS*.Hα-helixtrans-66.5-40.4176.6-72.8177.5-174.3-175.61.5112.2P3 V4 Y5 A10 E11 L110P3-R7 WeakPolarHBondContact O-CG 3.39Å; P3-R7 PolarHBondContact O-N 2.94Å; V4-R7 PolarHBondContact O-N 2.9Å; Y5-R7 VanDerWaalsContact C-N 3.34Å; Y5-R7 PolarHBondContact O-N 3.5Å; R7-A10 PolarHBondContact O-N 3.21Å; R7-E11 PolarHBondContact O-N 3.32Å; R7-L110 HydrophobicContact CB-CD1 4.11Å; R7-L110 HydrophobicContact CB-CD2 4.3Å
8L96.2Very high94.1Very high15 Ų1576.5 Ų76.58%0.07938%0.382CS..Hα-helixtrans-60.1-48.5177175.562.4000111V4 Y5 A10 E11 I12 I107 L110 Q111 L114V4-L8 WeakPolarHBondContact O-CB 3.48Å; V4-L8 PolarHBondContact O-N 2.97Å; Y5-L8 WeakPolarHBondContact O-CB 3.45Å; Y5-L8 PolarHBondContact O-N 3.12Å; L8-A10 VanDerWaalsContact C-N 3.33Å; L8-A10 PolarHBondContact O-N 3.41Å; L8-E11 PolarHBondContact O-N 3.04Å; L8-I12 HydrophobicContact CD1-CD1 4.01Å; L8-I12 HydrophobicContact CD1-CG1 4.37Å; L8-I12 HydrophobicContact CG-CD1 3.91Å; L8-I12 VanDerWaalsContact O-CG1 3.31Å; L8-I12 WeakPolarHBondContact O-CG1 3.47Å; L8-I12 PolarHBondContact O-N 2.92Å; L8-I107 HydrophobicContact CD1-CB 4.3Å; L8-I107 HydrophobicContact CD1-CG1 4.3Å; L8-I107 HydrophobicContact CD1-CG2 3.88Å; L8-L110 HydrophobicContact CB-CB 4.38Å; L8-L110 HydrophobicContact CB-CD1 4.42Å; L8-L110 HydrophobicContact CD1-CB 4.21Å; L8-Q111 HydrophobicContact CD1-CG 4.03Å; L8-Q111 HydrophobicContact CD2-CG 4.26Å; L8-L114 HydrophobicContact CD2-CD1 3.69Å
9N95.7Very high94.3Very high86 Ų8676.2 Ų76.246%0.4638%0.38SS..Hα-helixtrans-61.7-41.8178.3-69.9-14.8000111.8Y5 E11 I12 E13Y5-N9 PolarHBondContact O-N 3.46Å; N9-E11 PolarHBondContact O-N 2.62Å; N9-I12 PolarHBondContact O-N 3.35Å; N9-E13 WeakPolarHBondContact O-CG 3.45Å; N9-E13 PolarHBondContact O-N 3.37Å
10A97Very high94.5Very high48 Ų4878.9 Ų78.940%0.39739%0.389SS..Hα-helixtrans-61-42.6176.700000112.9K6 R7 L8 E13 K14K6-A10 PolarHBondContact O-N 2.82Å; K6-A10 VanDerWaalsContact O-N 3.1Å; R7-A10 PolarHBondContact O-N 3.21Å; L8-A10 VanDerWaalsContact C-N 3.33Å; L8-A10 PolarHBondContact O-N 3.41Å; A10-E13 PolarHBondContact O-N 3.08Å; A10-K14 WeakPolarHBondContact O-CB 3.33Å; A10-K14 PolarHBondContact O-N 2.94Å
11E97Very high94.6Very high32 Ų3278.5 Ų78.515%0.1539%0.386CS..Hα-helixtrans-68.7-34.8176.4-69.6-57.6135.700112.3R7 L8 N9 K14 A15 Q106 I107 L110R7-E11 PolarHBondContact O-N 3.32Å; L8-E11 PolarHBondContact O-N 3.04Å; N9-E11 PolarHBondContact O-N 2.62Å; E11-K14 PolarHBondContact O-N 3.44Å; E11-A15 WeakPolarHBondContact O-CB 3.1Å; E11-A15 PolarHBondContact O-N 3.45Å; E11-Q106 VanDerWaalsContact CD-OE1 3.25Å; E11-Q106 HydrophobicContact CG-CB 4.19Å; E11-Q106 PolarHBondContact OE1-OE1 3.01Å; E11-I107 HydrophobicContact CB-CD1 4.32Å; E11-I107 HydrophobicContact CB-CG1 3.74Å; E11-L110 HydrophobicContact CG-CD1 4.32Å
12I96.9Very high95.7Very high54 Ų5475 Ų7528%0.27737%0.369SS..Hα-helixtrans-63.7-49173.9-69.9167.1000110.6L8 N9 K14 A15 Q16 I107L8-I12 HydrophobicContact CD1-CD1 4.01Å; L8-I12 HydrophobicContact CD1-CG1 4.37Å; L8-I12 HydrophobicContact CG-CD1 3.91Å; L8-I12 VanDerWaalsContact O-CG1 3.31Å; L8-I12 WeakPolarHBondContact O-CG1 3.47Å; L8-I12 PolarHBondContact O-N 2.92Å; N9-I12 PolarHBondContact O-N 3.35Å; I12-K14 VanDerWaalsContact C-N 3.3Å; I12-K14 PolarHBondContact O-N 2.77Å; I12-A15 PolarHBondContact O-N 2.92Å; I12-Q16 VanDerWaalsContact O-CG 3.31Å; I12-Q16 WeakPolarHBondContact O-CG 3.35Å; I12-Q16 PolarHBondContact O-N 2.88Å; I12-I107 HydrophobicContact CG1-CD1 3.89Å; I12-I107 HydrophobicContact CG1-CG1 4.16Å
13E97.6Very high96.4Very high133 Ų13373.3 Ų73.362%0.62136%0.361SS*.Hα-helixtrans-60-42.1177.7-74.7175.4-175.400111.5N9 A10 Q16 G17N9-E13 WeakPolarHBondContact O-CG 3.45Å; N9-E13 PolarHBondContact O-N 3.37Å; A10-E13 PolarHBondContact O-N 3.08Å; E13-Q16 PolarHBondContact O-N 3.29Å; E13-G17 PolarHBondContact O-N 3.47Å
14K97.9Very high96.8Very high104 Ų10475.5 Ų75.545%0.45236%0.362SS..Hα-helixtrans-61.3-46.9175.1-176.5-178.9171.9-166.70112A10 E11 I12 Q16 G17 I18A10-K14 WeakPolarHBondContact O-CB 3.33Å; A10-K14 PolarHBondContact O-N 2.94Å; E11-K14 PolarHBondContact O-N 3.44Å; I12-K14 VanDerWaalsContact C-N 3.3Å; I12-K14 PolarHBondContact O-N 2.77Å; K14-Q16 VanDerWaalsContact C-N 3.32Å; K14-Q16 PolarHBondContact O-N 3.37Å; K14-G17 PolarHBondContact O-N 3.3Å; K14-I18 HydrophobicContact CG-CD1 4.23Å; K14-I18 WeakPolarHBondContact O-CG1 3.44Å; K14-I18 PolarHBondContact O-N 3.48Å
15A97.6Very high97.1Very high18 Ų1875.8 Ų75.815%0.14936%0.362CS..Hα-helixtrans-61.5-39.7177.100000112.2E11 I12 I18 Q19 C103 I107E11-A15 WeakPolarHBondContact O-CB 3.1Å; E11-A15 PolarHBondContact O-N 3.45Å; I12-A15 PolarHBondContact O-N 2.92Å; A15-I18 PolarHBondContact O-N 3.48Å; A15-Q19 PolarHBondContact O-N 3.04Å; A15-C103 HydrophobicContact CB-CB 4.01Å; A15-I107 HydrophobicContact CB-CD1 4.35Å
16Q97.6Very high97.3Very high108 Ų10875.8 Ų75.851%0.50536%0.364SS..Hα-helixtrans-65.5-38.7174.2-70.6174.2-3.800112.1I12 E13 K14 Q19 K20I12-Q16 VanDerWaalsContact O-CG 3.31Å; I12-Q16 WeakPolarHBondContact O-CG 3.35Å; I12-Q16 PolarHBondContact O-N 2.88Å; E13-Q16 PolarHBondContact O-N 3.29Å; K14-Q16 VanDerWaalsContact C-N 3.32Å; K14-Q16 PolarHBondContact O-N 3.37Å; Q16-Q19 PolarHBondContact O-N 3.01Å; Q16-K20 WeakPolarHBondContact O-CG 3.4Å; Q16-K20 PolarHBondContact O-N 3Å; Q16-K20 VanDerWaalsContact O-N 3.09Å
17G98.2Very high97.5Very high38 Ų3873.4 Ų73.439%0.39236%0.355SS..Hα-helixtrans-60.4-48.7174.200000112.2E13 K14 Q19 K20 E21E13-G17 PolarHBondContact O-N 3.47Å; K14-G17 PolarHBondContact O-N 3.3Å; G17-Q19 VanDerWaalsContact C-N 3.33Å; G17-Q19 PolarHBondContact O-N 2.86Å; G17-K20 PolarHBondContact O-N 3.07Å; G17-E21 PolarHBondContact O-N 3.43Å
18I98.3Very high97.6Very high10 Ų1069.2 Ų69.25%0.05135%0.345CS..Hα-helixtrans-58.3-45.2175.4-69.1164.9000110.7K14 A15 K20 E21 I22 L96 Q99 Q100K14-I18 HydrophobicContact CG-CD1 4.23Å; K14-I18 WeakPolarHBondContact O-CG1 3.44Å; K14-I18 PolarHBondContact O-N 3.48Å; A15-I18 PolarHBondContact O-N 3.48Å; I18-K20 VanDerWaalsContact C-N 3.3Å; I18-K20 PolarHBondContact O-N 3.5Å; I18-E21 WeakPolarHBondContact O-CB 3.47Å; I18-E21 PolarHBondContact O-N 2.87Å; I18-E21 VanDerWaalsContact O-N 3.1Å; I18-I22 HydrophobicContact CG2-CD1 3.9Å; I18-I22 HydrophobicContact CG2-CG1 4.38Å; I18-I22 WeakPolarHBondContact O-CG1 3.25Å; I18-I22 PolarHBondContact O-N 3.38Å; I18-L96 HydrophobicContact CG2-CB 4.04Å; I18-L96 HydrophobicContact CG2-CD2 4.14Å; I18-L96 WeakPolarHBondContact CG2-O 3.5Å; I18-Q99 HydrophobicContact CD1-CB 3.84Å; I18-Q100 HydrophobicContact CG2-CB 3.94Å
19Q98Very high97.6Very high71 Ų7170.5 Ų70.533%0.33235%0.351SS..Hα-helixtrans-59.9-39.8179-174.860.772.800112.7A15 Q16 G17 Q23A15-Q19 PolarHBondContact O-N 3.04Å; Q16-Q19 PolarHBondContact O-N 3.01Å; G17-Q19 VanDerWaalsContact C-N 3.33Å; G17-Q19 PolarHBondContact O-N 2.86Å; Q19-Q23 WeakPolarHBondContact O-CG 2.89Å; Q19-Q23 PolarHBondContact O-N 3.43Å; Q19-Q23 VanDerWaalsContact O-N 3.11Å
20K98.2Very high97.7Very high129 Ų12973.4 Ų73.456%0.56136%0.355SS*.Hα-helixtrans-66.7-38.3175.5-71.8173.5-1781760111.8Q16 G17 I18 Q23 K24Q16-K20 WeakPolarHBondContact O-CG 3.4Å; Q16-K20 PolarHBondContact O-N 3Å; Q16-K20 VanDerWaalsContact O-N 3.09Å; G17-K20 PolarHBondContact O-N 3.07Å; I18-K20 VanDerWaalsContact C-N 3.3Å; I18-K20 PolarHBondContact O-N 3.5Å; K20-Q23 PolarHBondContact O-N 3.18Å; K20-K24 WeakPolarHBondContact O-CG 3.23Å; K20-K24 PolarHBondContact O-N 2.97Å; K20-K24 VanDerWaalsContact O-N 3.15Å
21E98Very high97.8Very high71 Ų7176.6 Ų76.633%0.33236%0.362SS..Hα-helixtrans-64.8-46.7176.1-168.4178.9156.600111.3G17 I18 Q23 K24 I25 R92 L96G17-E21 PolarHBondContact O-N 3.43Å; I18-E21 WeakPolarHBondContact O-CB 3.47Å; I18-E21 PolarHBondContact O-N 2.87Å; I18-E21 VanDerWaalsContact O-N 3.1Å; E21-Q23 VanDerWaalsContact C-N 3.29Å; E21-Q23 PolarHBondContact O-N 2.85Å; E21-K24 WeakPolarHBondContact O-CB 3.33Å; E21-K24 PolarHBondContact O-N 3.06Å; E21-K24 VanDerWaalsContact O-N 3.11Å; E21-I25 HydrophobicContact CG-CD1 4.08Å; E21-I25 WeakPolarHBondContact O-CG1 3.49Å; E21-I25 PolarHBondContact O-N 3.27Å; E21-R92 IonicContact OE1-CZ 3.86Å; E21-R92 IonicContact OE1-NE 3.23Å; E21-R92 PolarHBondContact OE1-NE 3.38Å; E21-R92 VanDerWaalsContact OE1-NE 3.17Å; E21-R92 IonicContact OE1-NH2 3.67Å; E21-R92 PolarHBondContact OE1-NH2 3.34Å; E21-R92 IonicContact OE2-NH2 3.92Å; E21-L96 HydrophobicContact CB-CD1 4.17Å; E21-L96 HydrophobicContact CG-CD1 3.77Å
22I98.3Very high97.8Very high5 Ų576.3 Ų76.33%0.02636%0.361CS..Hα-helixtrans-54.5-46.5174.7-70.9172.2000110.8I18 K24 I25 F26 L96 E97I18-I22 HydrophobicContact CG2-CD1 3.9Å; I18-I22 HydrophobicContact CG2-CG1 4.38Å; I18-I22 WeakPolarHBondContact O-CG1 3.25Å; I18-I22 PolarHBondContact O-N 3.38Å; I22-K24 VanDerWaalsContact C-N 3.34Å; I22-K24 PolarHBondContact O-N 2.95Å; I22-I25 PolarHBondContact O-N 2.87Å; I22-F26 HydrophobicContact CG2-CD2 3.52Å; I22-F26 HydrophobicContact CG2-CE2 3.3Å; I22-F26 HydrophobicContact CG2-CZ 4.46Å; I22-F26 VanDerWaalsContact O-CD2 3.26Å; I22-F26 WeakPolarHBondContact O-CD2 3.47Å; I22-F26 PolarHBondContact O-N 3.42Å; I22-L96 HydrophobicContact CD1-CB 3.91Å; I22-L96 HydrophobicContact CG1-CB 3.63Å; I22-L96 HydrophobicContact CG1-CD1 3.91Å; I22-L96 HydrophobicContact CG1-CG 4.41Å; I22-E97 HydrophobicContact CD1-CG 4.11Å
23Q98.1Very high97.9Very high109 Ų10975.8 Ų75.851%0.50936%0.362SS..Hα-helixtrans-60.9-39.9178.5-74.6172.7-12.600113Q19 K20 E21 F26 Q27Q19-Q23 WeakPolarHBondContact O-CG 2.89Å; Q19-Q23 PolarHBondContact O-N 3.43Å; Q19-Q23 VanDerWaalsContact O-N 3.11Å; K20-Q23 PolarHBondContact O-N 3.18Å; E21-Q23 VanDerWaalsContact C-N 3.29Å; E21-Q23 PolarHBondContact O-N 2.85Å; Q23-F26 PolarHBondContact O-N 2.93Å; Q23-Q27 WeakPolarHBondContact O-CG 3.44Å; Q23-Q27 PolarHBondContact O-N 3.49Å; Q23-Q27 VanDerWaalsContact O-N 3.11Å
24K98.3Very high97.9Very high134 Ų13472.4 Ų72.458%0.58336%0.357SS*.Hα-helixtrans-64.2-44.1175.4-71.5173.6-180-177.90111.4K20 E21 I22 F26 Q27 L28K20-K24 WeakPolarHBondContact O-CG 3.23Å; K20-K24 PolarHBondContact O-N 2.97Å; K20-K24 VanDerWaalsContact O-N 3.15Å; E21-K24 WeakPolarHBondContact O-CB 3.33Å; E21-K24 PolarHBondContact O-N 3.06Å; E21-K24 VanDerWaalsContact O-N 3.11Å; I22-K24 VanDerWaalsContact C-N 3.34Å; I22-K24 PolarHBondContact O-N 2.95Å; K24-F26 VanDerWaalsContact C-N 3.34Å; K24-F26 PolarHBondContact O-N 3.07Å; K24-Q27 WeakPolarHBondContact O-CB 3.49Å; K24-Q27 PolarHBondContact O-N 3.12Å; K24-L28 PolarHBondContact O-N 3.07Å; K24-L28 VanDerWaalsContact O-N 3.07Å
25I98Very high98Very high17 Ų1771 Ų719%0.08735%0.352CS..Hα-helixtrans-65.2-39.9178.8-62.1164.5000110.4E21 I22 Q27 L28 H29 H89 R92 I93 L96E21-I25 HydrophobicContact CG-CD1 4.08Å; E21-I25 WeakPolarHBondContact O-CG1 3.49Å; E21-I25 PolarHBondContact O-N 3.27Å; I22-I25 PolarHBondContact O-N 2.87Å; I25-Q27 VanDerWaalsContact C-N 3.32Å; I25-Q27 PolarHBondContact O-N 3.4Å; I25-L28 PolarHBondContact O-N 2.89Å; I25-H29 WeakPolarHBondContact O-CB 3.41Å; I25-H29 PolarHBondContact O-N 3.44Å; I25-H89 HydrophobicContact CG2-CB 3.66Å; I25-R92 HydrophobicContact CD1-CB 4.36Å; I25-R92 HydrophobicContact CD1-CG 3.55Å; I25-I93 HydrophobicContact CB-CD1 4.41Å; I25-I93 HydrophobicContact CB-CG1 4.15Å; I25-I93 HydrophobicContact CG2-CD1 3.77Å; I25-I93 HydrophobicContact CG2-CG1 3.66Å; I25-L96 HydrophobicContact CD1-CD1 3.4Å
26F97.3Very high98Very high84 Ų8471.2 Ų71.237%0.36835%0.351SS..Hα-helixtrans-61-37.1173.1-84.4-58.9000113.5I22 Q23 K24 R30 I93I22-F26 HydrophobicContact CG2-CD2 3.52Å; I22-F26 HydrophobicContact CG2-CE2 3.3Å; I22-F26 HydrophobicContact CG2-CZ 4.46Å; I22-F26 VanDerWaalsContact O-CD2 3.26Å; I22-F26 WeakPolarHBondContact O-CD2 3.47Å; I22-F26 PolarHBondContact O-N 3.42Å; Q23-F26 PolarHBondContact O-N 2.93Å; K24-F26 VanDerWaalsContact C-N 3.34Å; K24-F26 PolarHBondContact O-N 3.07Å; F26-R30 WeakPolarHBondContact O-CG 3.34Å; F26-R30 PolarHBondContact O-N 2.7Å; F26-I93 HydrophobicContact CD1-CD1 3.92Å; F26-I93 HydrophobicContact CD2-CD1 4.5Å; F26-I93 HydrophobicContact CE1-CD1 3.79Å; F26-I93 HydrophobicContact CE2-CD1 4.39Å; F26-I93 HydrophobicContact CG-CD1 4.27Å; F26-I93 HydrophobicContact CZ-CD1 4.03Å; F26-I93 HydrophobicContact CZ-CG2 4.18Å
27Q97.7Very high98.1Very high107 Ų10768.8 Ų68.850%0.535%0.346SS..Hα-helixtrans-63.9-46.8174.5-74.5173.5-16.700111.4Q23 K24 I25 R30 Q31Q23-Q27 WeakPolarHBondContact O-CG 3.44Å; Q23-Q27 PolarHBondContact O-N 3.49Å; Q23-Q27 VanDerWaalsContact O-N 3.11Å; K24-Q27 WeakPolarHBondContact O-CB 3.49Å; K24-Q27 PolarHBondContact O-N 3.12Å; I25-Q27 VanDerWaalsContact C-N 3.32Å; I25-Q27 PolarHBondContact O-N 3.4Å; Q27-R30 VanDerWaalsContact CG-NH2 3.32Å; Q27-R30 PolarHBondContact O-N 3.14Å; Q27-Q31 WeakPolarHBondContact O-CG 3.33Å; Q27-Q31 PolarHBondContact O-N 2.95Å; Q27-Q31 VanDerWaalsContact O-N 3.14Å
28L97.5Very high98.1Very high81 Ų8172.7 Ų72.742%0.42435%0.354SS..Hα-helixtrans-62.5-44.6176.6-69.1170.8000111.7K24 I25 R30 Q31 L32K24-L28 PolarHBondContact O-N 3.07Å; K24-L28 VanDerWaalsContact O-N 3.07Å; I25-L28 PolarHBondContact O-N 2.89Å; L28-R30 PolarHBondContact O-N 3.42Å; L28-Q31 WeakPolarHBondContact O-CB 3.25Å; L28-Q31 PolarHBondContact O-N 3.14Å; L28-Q31 VanDerWaalsContact O-N 3.15Å; L28-L32 WeakPolarHBondContact O-CG 3.34Å; L28-L32 PolarHBondContact O-N 3.43Å
29H97Very high98.1Very high42 Ų4272.7 Ų72.719%0.19435%0.354CS..Hα-helixtrans-56.3-48.9175.8178-65.9000110.9I25 Q31 L32 S33 D90I25-H29 WeakPolarHBondContact O-CB 3.41Å; I25-H29 PolarHBondContact O-N 3.44Å; H29-Q31 VanDerWaalsContact C-N 3.29Å; H29-Q31 PolarHBondContact O-N 3.25Å; H29-L32 PolarHBondContact O-N 2.96Å; H29-L32 VanDerWaalsContact O-N 3.17Å; H29-S33 PolarHBondContact CE1-OG 3.19Å; H29-S33 PolarHBondContact ND1-OG 3.49Å; H29-S33 PolarHBondContact O-N 3.29Å; H29-S33 PolarHBondContact O-OG 3.1Å; H29-D90 IonicContact CD2-OD1 3.26Å; H29-D90 PolarHBondContact CD2-OD1 2.99Å; H29-D90 VanDerWaalsContact CD2-OD1 3.23Å; H29-D90 IonicContact NE2-OD1 2.76Å; H29-D90 PolarHBondContact NE2-OD1 3.48Å
30R97.6Very high98.1Very high147 Ų14773.7 Ų73.756%0.55536%0.359SS*.Hα-helixtrans-58.9-39.7177.7-75.6-167.9-60.1-89.84.3112.7F26 Q27 L28 S33 A34F26-R30 WeakPolarHBondContact O-CG 3.34Å; F26-R30 PolarHBondContact O-N 2.7Å; Q27-R30 VanDerWaalsContact CG-NH2 3.32Å; Q27-R30 PolarHBondContact O-N 3.14Å; L28-R30 PolarHBondContact O-N 3.42Å; R30-S33 PolarHBondContact O-N 3.33Å; R30-A34 PolarHBondContact O-N 3.37Å; R30-A34 VanDerWaalsContact O-N 3.11Å
31Q98.2Very high98.1Very high115 Ų11571.5 Ų71.554%0.53735%0.353SS..Hα-helixtrans-65.1-43.8176-70.5174.6-28.600111.5Q27 L28 H29 A34 Q35Q27-Q31 WeakPolarHBondContact O-CG 3.33Å; Q27-Q31 PolarHBondContact O-N 2.95Å; Q27-Q31 VanDerWaalsContact O-N 3.14Å; L28-Q31 WeakPolarHBondContact O-CB 3.25Å; L28-Q31 PolarHBondContact O-N 3.14Å; L28-Q31 VanDerWaalsContact O-N 3.15Å; H29-Q31 VanDerWaalsContact C-N 3.29Å; H29-Q31 PolarHBondContact O-N 3.25Å; Q31-A34 PolarHBondContact O-N 2.84Å; Q31-Q35 WeakPolarHBondContact O-CG 3.47Å; Q31-Q35 PolarHBondContact O-N 3.48Å
32L98.5Very high98.1Very high25 Ų2570.8 Ų70.813%0.13135%0.353CS..Hα-helixtrans-63.9-41176.3-70.4172.2000111.9L28 H29 A34 Q35 L36 I82 E85 I86L28-L32 WeakPolarHBondContact O-CG 3.34Å; L28-L32 PolarHBondContact O-N 3.43Å; H29-L32 PolarHBondContact O-N 2.96Å; H29-L32 VanDerWaalsContact O-N 3.17Å; L32-A34 VanDerWaalsContact C-N 3.34Å; L32-A34 PolarHBondContact O-N 3.34Å; L32-Q35 PolarHBondContact O-N 3.34Å; L32-L36 WeakPolarHBondContact O-CB 3.14Å; L32-L36 PolarHBondContact O-N 3.34Å; L32-I82 HydrophobicContact CB-CG2 4.15Å; L32-I82 HydrophobicContact CD2-CG2 4.3Å; L32-I82 WeakPolarHBondContact O-CG2 3.42Å; L32-E85 HydrophobicContact CD1-CB 4.01Å; L32-I86 HydrophobicContact CB-CD1 4.15Å; L32-I86 HydrophobicContact CB-CG1 3.72Å; L32-I86 HydrophobicContact CD1-CG1 4.33Å
33S98Very high98.1Very high43 Ų4372.6 Ų72.630%0.30136%0.363SS..Hα-helixtrans-62.5-39.7176-54.60000112.4H29 R30 L36 S37H29-S33 PolarHBondContact CE1-OG 3.19Å; H29-S33 PolarHBondContact ND1-OG 3.49Å; H29-S33 PolarHBondContact O-N 3.29Å; H29-S33 PolarHBondContact O-OG 3.1Å; R30-S33 PolarHBondContact O-N 3.33Å; S33-L36 PolarHBondContact O-N 3.07Å; S33-S37 PolarHBondContact O-N 2.87Å
34A98.4Very high98.1Very high62 Ų6272.9 Ų72.951%0.51236%0.364SS..Hα-helixtrans-64.2-44.217500000111.6R30 Q31 L32 L36 S37 E38R30-A34 PolarHBondContact O-N 3.37Å; R30-A34 VanDerWaalsContact O-N 3.11Å; Q31-A34 PolarHBondContact O-N 2.84Å; L32-A34 VanDerWaalsContact C-N 3.34Å; L32-A34 PolarHBondContact O-N 3.34Å; A34-L36 VanDerWaalsContact C-N 3.33Å; A34-L36 PolarHBondContact O-N 3.39Å; A34-S37 PolarHBondContact O-N 3.45Å; A34-E38 PolarHBondContact O-N 3.05Å
35Q98.5Very high98.1Very high74 Ų7471.4 Ų71.435%0.34636%0.363SS..Hα-helixtrans-64.5-36.9175.3-69.1178.825.700112.4Q31 L32 E38 N39 I82Q31-Q35 WeakPolarHBondContact O-CG 3.47Å; Q31-Q35 PolarHBondContact O-N 3.48Å; L32-Q35 PolarHBondContact O-N 3.34Å; Q35-E38 PolarHBondContact O-N 3.04Å; Q35-N39 PolarHBondContact O-N 3.05Å; Q35-N39 PolarHBondContact O-ND2 3.48Å; Q35-I82 HydrophobicContact CB-CD1 3.98Å
36L98.6Very high98Very high24 Ų2471.4 Ų71.413%0.12636%0.362CS..Hα-helixtrans-60.2-52.6176.1-17860.9000110.1L32 S33 A34 E38 N39 E40 I79 I82 I86L32-L36 WeakPolarHBondContact O-CB 3.14Å; L32-L36 PolarHBondContact O-N 3.34Å; S33-L36 PolarHBondContact O-N 3.07Å; A34-L36 VanDerWaalsContact C-N 3.33Å; A34-L36 PolarHBondContact O-N 3.39Å; L36-E38 VanDerWaalsContact C-N 3.3Å; L36-E38 PolarHBondContact O-N 2.76Å; L36-N39 PolarHBondContact O-N 3.04Å; L36-E40 HydrophobicContact CD1-CG 4.36Å; L36-E40 HydrophobicContact CG-CG 4.39Å; L36-E40 WeakPolarHBondContact O-CG 3.48Å; L36-E40 PolarHBondContact O-N 3.44Å; L36-I79 HydrophobicContact CD1-CB 4.37Å; L36-I79 HydrophobicContact CD1-CG1 4.44Å; L36-I79 HydrophobicContact CD1-CG2 3.86Å; L36-I82 HydrophobicContact CB-CG2 3.78Å; L36-I82 HydrophobicContact CD1-CB 4.43Å; L36-I82 HydrophobicContact CD1-CG2 4.26Å; L36-I86 HydrophobicContact CB-CD1 4.39Å; L36-I86 HydrophobicContact CD2-CD1 3.87Å
37S98.5Very high98Very high57 Ų5769.7 Ų69.740%0.39937%0.368SS..Hα-helixtrans-58.8-40.4179177.80000112.3S33 A34 N39 E40 N41S33-S37 PolarHBondContact O-N 2.87Å; A34-S37 PolarHBondContact O-N 3.45Å; S37-N39 PolarHBondContact O-N 3.05Å; S37-E40 PolarHBondContact O-N 3.1Å; S37-N41 VanDerWaalsContact O-CG 3.27Å; S37-N41 PolarHBondContact O-N 3Å; S37-N41 PolarHBondContact O-ND2 3.24Å
38E98.3Very high98Very high120 Ų12071.8 Ų71.856%0.56138%0.376SS*.Hα-helixtrans-60.1-45.4174-173.9-175.217400111.8A34 Q35 L36 N41 V42A34-E38 PolarHBondContact O-N 3.05Å; Q35-E38 PolarHBondContact O-N 3.04Å; L36-E38 VanDerWaalsContact C-N 3.3Å; L36-E38 PolarHBondContact O-N 2.76Å; E38-N41 PolarHBondContact O-N 3.48Å; E38-V42 WeakPolarHBondContact O-CG2 3.34Å; E38-V42 PolarHBondContact O-N 2.88Å
39N98.4Very high98Very high9 Ų970.6 Ų70.65%0.04837%0.37CS..Hα-helixtrans-71.9-31.2180-76.8-93.6000112.6Q35 L36 S37 V42 I43 V75 R78 I79Q35-N39 PolarHBondContact O-N 3.05Å; Q35-N39 PolarHBondContact O-ND2 3.48Å; L36-N39 PolarHBondContact O-N 3.04Å; S37-N39 PolarHBondContact O-N 3.05Å; N39-V42 PolarHBondContact O-N 3.3Å; N39-I43 PolarHBondContact O-N 2.98Å; N39-V75 HydrophobicContact CB-CG1 4.13Å; N39-V75 WeakPolarHBondContact O-CG1 3.38Å; N39-R78 VanDerWaalsContact OD1-CD 3.25Å; N39-R78 WeakPolarHBondContact OD1-CD 3.39Å; N39-I79 HydrophobicContact CB-CD1 4.34Å; N39-I79 HydrophobicContact CB-CG1 3.71Å
40E98.6Very high97.8Very high92 Ų9272.7 Ų72.743%0.4338%0.383SS..Hα-helixtrans-62.4-43.6172.3-74.7173.2157.400111.3L36 S37 I43 E44 I79L36-E40 HydrophobicContact CD1-CG 4.36Å; L36-E40 HydrophobicContact CG-CG 4.39Å; L36-E40 WeakPolarHBondContact O-CG 3.48Å; L36-E40 PolarHBondContact O-N 3.44Å; S37-E40 PolarHBondContact O-N 3.1Å; E40-I43 WeakPolarHBondContact O-CG2 3.29Å; E40-I43 PolarHBondContact O-N 2.75Å; E40-E44 PolarHBondContact O-N 3.39Å; E40-E44 VanDerWaalsContact O-N 3.1Å; E40-I79 HydrophobicContact CG-CD1 4.38Å
41N98.5Very high97.5Very high84 Ų8474.9 Ų74.945%0.44940%0.399SS..Hα-helixtrans-63.5-43.3173.7-63.5-22.4000111.3S37 E38 I43 E44 D45S37-N41 VanDerWaalsContact O-CG 3.27Å; S37-N41 PolarHBondContact O-N 3Å; S37-N41 PolarHBondContact O-ND2 3.24Å; E38-N41 PolarHBondContact O-N 3.48Å; N41-I43 PolarHBondContact O-N 3.21Å; N41-E44 WeakPolarHBondContact O-CB 3.37Å; N41-E44 PolarHBondContact O-N 3.17Å; N41-D45 PolarHBondContact O-N 2.81Å
42V98Very high97.3Very high55 Ų5574 Ų7433%0.33341%0.406SS..Hα-helixtrans-62.9-41.6179173.50000111.7E38 N39 E44 D45 L46 V75E38-V42 WeakPolarHBondContact O-CG2 3.34Å; E38-V42 PolarHBondContact O-N 2.88Å; N39-V42 PolarHBondContact O-N 3.3Å; V42-E44 VanDerWaalsContact C-N 3.31Å; V42-E44 PolarHBondContact O-N 2.91Å; V42-D45 PolarHBondContact O-N 3.48Å; V42-L46 HydrophobicContact CG1-CD1 4.21Å; V42-L46 HydrophobicContact CG1-CG 4.4Å; V42-L46 WeakPolarHBondContact O-CB 3.45Å; V42-L46 VanDerWaalsContact O-CG 3.25Å; V42-L46 WeakPolarHBondContact O-CG 3.41Å; V42-L46 PolarHBondContact O-N 3.27Å; V42-V75 HydrophobicContact CB-CG1 4.4Å; V42-V75 HydrophobicContact CG1-CG1 4.28Å; V42-V75 HydrophobicContact CG1-CG2 3.83Å
43I98Very high97.2Very high44 Ų4476 Ų7623%0.22642%0.417CS..Hα-helixtrans-68.5-33.6178.8-166.168.4000111.7N39 E40 N41 L46 G47 K72 V75 I79N39-I43 PolarHBondContact O-N 2.98Å; E40-I43 WeakPolarHBondContact O-CG2 3.29Å; E40-I43 PolarHBondContact O-N 2.75Å; N41-I43 PolarHBondContact O-N 3.21Å; I43-L46 HydrophobicContact CD1-CD1 4.48Å; I43-G47 PolarHBondContact O-N 3.35Å; I43-K72 HydrophobicContact CD1-CB 4.07Å; I43-K72 HydrophobicContact CD1-CG 4.07Å; I43-V75 HydrophobicContact CB-CG1 3.84Å; I43-V75 HydrophobicContact CD1-CB 4.19Å; I43-V75 HydrophobicContact CD1-CG1 4.31Å; I43-I79 HydrophobicContact CB-CD1 4.07Å; I43-I79 HydrophobicContact CG2-CD1 3.62Å
44E98.2Very high97.1Very high115 Ų11577.5 Ų77.554%0.53742%0.424SS..Hα-helixtrans-64.3-48.3172.7-172.5179.3178.300111E40 N41 V42 L46 G47 F48E40-E44 PolarHBondContact O-N 3.39Å; E40-E44 VanDerWaalsContact O-N 3.1Å; N41-E44 WeakPolarHBondContact O-CB 3.37Å; N41-E44 PolarHBondContact O-N 3.17Å; V42-E44 VanDerWaalsContact C-N 3.31Å; V42-E44 PolarHBondContact O-N 2.91Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 3.05Å; E44-G47 VanDerWaalsContact O-CA 3.23Å; E44-G47 WeakPolarHBondContact O-CA 3.42Å; E44-G47 PolarHBondContact O-N 3.06Å; E44-F48 HydrophobicContact CG-CE2 3.91Å; E44-F48 HydrophobicContact CG-CZ 4.38Å; E44-F48 WeakPolarHBondContact O-CD2 3.4Å; E44-F48 PolarHBondContact O-N 3.36Å
45D97.7Very high97Very high103 Ų10375.8 Ų75.855%0.55141%0.406SS*.Hα-helixtrans-57.1-45.3176.1-74.9-19.6000111.8N41 V42 G47 F48N41-D45 PolarHBondContact O-N 2.81Å; V42-D45 PolarHBondContact O-N 3.48Å; D45-G47 PolarHBondContact O-N 3.49Å; D45-F48 PolarHBondContact O-N 2.85Å
46L97.5Very high97Very high16 Ų1678.5 Ų78.58%0.08441%0.414CS..Hα-helixtrans-62.5-26.7173.7-69176.2000112.2V42 I43 E44 F48 L49 I55 L68 A71 K72 V75V42-L46 HydrophobicContact CG1-CD1 4.21Å; V42-L46 HydrophobicContact CG1-CG 4.4Å; V42-L46 WeakPolarHBondContact O-CB 3.45Å; V42-L46 VanDerWaalsContact O-CG 3.25Å; V42-L46 WeakPolarHBondContact O-CG 3.41Å; V42-L46 PolarHBondContact O-N 3.27Å; I43-L46 HydrophobicContact CD1-CD1 4.48Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 3.05Å; L46-F48 VanDerWaalsContact C-N 3.29Å; L46-F48 PolarHBondContact O-N 3.45Å; L46-L49 HydrophobicContact CD2-CD1 3.92Å; L46-L49 PolarHBondContact O-N 3.11Å; L46-I55 HydrophobicContact CD2-CD1 3.73Å; L46-I55 HydrophobicContact CD2-CG1 4.45Å; L46-L68 HydrophobicContact CB-CD1 4.49Å; L46-L68 HydrophobicContact CD2-CD1 4.26Å; L46-A71 HydrophobicContact CD1-CB 4.06Å; L46-A71 HydrophobicContact CD2-CB 4.26Å; L46-K72 VanDerWaalsContact C-CE 3.41Å; L46-K72 HydrophobicContact CB-CG 3.93Å; L46-K72 HydrophobicContact CD1-CG 4.11Å; L46-K72 WeakPolarHBondContact O-CE 3.4Å; L46-K72 PolarHBondContact O-NZ 2.99Å; L46-V75 HydrophobicContact CD1-CG2 4.04Å
47G97Very high96.9Very high48 Ų4882.4 Ų82.450%0.49543%0.43SS..Hα-helixtrans-62.4-32.6175.200000113.5I43 E44 D45 L49I43-G47 PolarHBondContact O-N 3.35Å; E44-G47 VanDerWaalsContact O-CA 3.23Å; E44-G47 WeakPolarHBondContact O-CA 3.42Å; E44-G47 PolarHBondContact O-N 3.06Å; D45-G47 PolarHBondContact O-N 3.49Å; G47-L49 VanDerWaalsContact C-N 3.31Å
48F97.3Very high96.8Very high151 Ų15185.4 Ų85.466%0.66244%0.441SS*.THydrogen-bonded Turntrans-79.5-11.2177.7-62.1-66.5000114.1E44 D45 L46E44-F48 HydrophobicContact CG-CE2 3.91Å; E44-F48 HydrophobicContact CG-CZ 4.38Å; E44-F48 WeakPolarHBondContact O-CD2 3.4Å; E44-F48 PolarHBondContact O-N 3.36Å; D45-F48 PolarHBondContact O-N 2.85Å; L46-F48 VanDerWaalsContact C-N 3.29Å; L46-F48 PolarHBondContact O-N 3.45Å
49L97.1Very high96.7Very high57 Ų5783.1 Ų83.130%0.29844%0.435SS..  trans-87149.1-178.6-56.2-179.5000112L46 G47 N53 I55 L68L46-L49 HydrophobicContact CD2-CD1 3.92Å; L46-L49 PolarHBondContact O-N 3.11Å; G47-L49 VanDerWaalsContact C-N 3.31Å; L49-N53 WeakPolarHBondContact CA-OD1 3.47Å; L49-N53 HydrophobicContact CB-CB 4.24Å; L49-N53 HydrophobicContact CD2-CB 4.09Å; L49-I55 HydrophobicContact CD1-CD1 3.75Å; L49-I55 HydrophobicContact CD1-CG1 3.75Å; L49-L68 HydrophobicContact CB-CD1 3.87Å; L49-L68 HydrophobicContact CB-CD2 4.33Å; L49-L68 HydrophobicContact CD1-CD1 4.3Å
50N93.7Very high96.6Very high85 Ų8585.7 Ų85.746%0.45546%0.464SS..  trans-123.9179173.864.759.4000111.2S52 N53N50-S52 PolarHBondContact O-N 3.04Å; N50-S52 VanDerWaalsContact O-N 3.12Å; N50-S52 VanDerWaalsContact OD1-CB 3.31Å; N50-S52 WeakPolarHBondContact OD1-CB 3.43Å; N50-S52 PolarHBondContact OD1-N 3.15Å; N50-S52 PolarHBondContact OD1-OG 3.14Å; N50-N53 PolarHBondContact N-OD1 3.27Å; N50-N53 WeakPolarHBondContact O-CB 3.46Å; N50-N53 PolarHBondContact O-N 3.46Å; N50-N53 PolarHBondContact O-OD1 3.41Å; N50-N53 PolarHBondContact OD1-OD1 3.41Å
51E90.7Very high96.5Very high194 Ų19487.6 Ų87.691%0.90748%0.484SS*.THydrogen-bonded Turntrans-63.5-17.7-174.8-62.3179.4-179.900114.7N53E51-N53 VanDerWaalsContact C-N 3.33Å
52S94.5Very high96.5Very high97 Ų9787.6 Ų87.668%0.67849%0.487SS*.THydrogen-bonded Turntrans-78.5-19.2173.975.60000112.8N50N50-S52 PolarHBondContact O-N 3.04Å; N50-S52 VanDerWaalsContact O-N 3.12Å; N50-S52 VanDerWaalsContact OD1-CB 3.31Å; N50-S52 WeakPolarHBondContact OD1-CB 3.43Å; N50-S52 PolarHBondContact OD1-N 3.15Å; N50-S52 PolarHBondContact OD1-OG 3.14Å
53N96.8Very high96.5Very high66 Ų6690.5 Ų90.535%0.35350%0.5SS..SBendtrans-79.1140.4177.3-57.6117000110.7L49 N50 E51L49-N53 WeakPolarHBondContact CA-OD1 3.47Å; L49-N53 HydrophobicContact CB-CB 4.24Å; L49-N53 HydrophobicContact CD2-CB 4.09Å; N50-N53 PolarHBondContact N-OD1 3.27Å; N50-N53 WeakPolarHBondContact O-CB 3.46Å; N50-N53 PolarHBondContact O-N 3.46Å; N50-N53 PolarHBondContact O-OD1 3.41Å; N50-N53 PolarHBondContact OD1-OD1 3.41Å; E51-N53 VanDerWaalsContact C-N 3.33Å
54T96Very high96.5Very high75 Ų7591.9 Ų91.946%0.4651%0.511SS..  trans-104.9127.1174.5-58.10000110.2Y56 K65T54-Y56 HydrophobicContact CG2-CD2 4.19Å; T54-Y56 HydrophobicContact CG2-CE1 4.32Å; T54-Y56 HydrophobicContact CG2-CE2 3.47Å; T54-Y56 VanDerWaalsContact CG2-CE2 3.47Å; T54-K65 HydrophobicContact CG2-CD 4.22Å; T54-K65 HydrophobicContact CG2-CG 4.09Å
55I96.1Very high96.5Very high25 Ų2593 Ų9313%0.12851%0.514CS..EExtended strand (participates in β ladder)trans-103140177.6-65.6158.2000109.7L46 L49 K65 Q66 L68 A71L46-I55 HydrophobicContact CD2-CD1 3.73Å; L46-I55 HydrophobicContact CD2-CG1 4.45Å; L49-I55 HydrophobicContact CD1-CD1 3.75Å; L49-I55 HydrophobicContact CD1-CG1 3.75Å; I55-K65 WeakPolarHBondContact O-CA 3.42Å; I55-Q66 HydrophobicContact CG2-CB 4.49Å; I55-Q66 PolarHBondContact O-N 3.42Å; I55-L68 HydrophobicContact CD1-CB 3.87Å; I55-L68 HydrophobicContact CD1-CD1 3.38Å; I55-L68 HydrophobicContact CD1-CG 4.22Å; I55-A71 HydrophobicContact CD1-CB 4.38Å
56Y97.2Very high96.4Very high132 Ų13289.5 Ų89.552%0.51849%0.494SS..EExtended strand (participates in β ladder)trans-125.1136.7171.8-63.1-86000110.1T54 L63 V64 K65T54-Y56 HydrophobicContact CG2-CD2 4.19Å; T54-Y56 HydrophobicContact CG2-CE1 4.32Å; T54-Y56 HydrophobicContact CG2-CE2 3.47Å; T54-Y56 VanDerWaalsContact CG2-CE2 3.47Å; Y56-L63 HydrophobicContact CD1-CB 4.25Å; Y56-L63 HydrophobicContact CG-CB 4.42Å; Y56-V64 CarbonylContact C-O 3.56Å; Y56-V64 WeakPolarHBondContact CA-O 3.37Å; Y56-K65 HydrophobicContact CD1-CB 4.15Å; Y56-K65 HydrophobicContact CE1-CB 3.97Å; Y56-K65 HydrophobicContact CE1-CG 4.42Å
57K96.9Very high96.3Very high106 Ų10693.5 Ų93.546%0.46152%0.516SS..EExtended strand (participates in β ladder)trans-101.6129.9170.8-177.5-179.9179.6-1800109.5V59 V64K57-V59 HydrophobicContact CD-CG2 4.44Å; K57-V59 HydrophobicContact CG-CG2 4.3Å; K57-V59 PolarHBondContact O-N 2.95Å; K57-V64 PolarHBondContact N-O 2.94Å; K57-V64 PolarHBondContact O-N 3.28Å
58L97.1Very high96.3Very high119 Ų11992.8 Ų92.862%0.62350%0.5SS*.EExtended strand (participates in β ladder)trans-74122.6171.5-175.366.9000110.1G60 L63L58-G60 WeakPolarHBondContact CD1-O 3.42Å; L58-L63 HydrophobicContact CB-CD2 4.08Å; L58-L63 HydrophobicContact CD1-CD2 3.96Å
59V96.2Very high96.2Very high72 Ų7289.8 Ų89.844%0.43650%0.498SS..EExtended strand (participates in β ladder)trans-126.5104.4175.4-175.80000107.9K57 V62 V64K57-V59 HydrophobicContact CD-CG2 4.44Å; K57-V59 HydrophobicContact CG-CG2 4.3Å; K57-V59 PolarHBondContact O-N 2.95Å; V59-V62 HydrophobicContact CB-CG2 4.47Å; V59-V62 PolarHBondContact N-O 3.23Å; V59-V62 WeakPolarHBondContact O-CG2 3.49Å; V59-V62 PolarHBondContact O-N 3.39Å; V59-V62 VanDerWaalsContact O-N 3.08Å; V59-V64 HydrophobicContact CB-CG2 4.22Å; V59-V64 HydrophobicContact CG2-CB 4.41Å; V59-V64 HydrophobicContact CG2-CG2 3.93Å
60G96.4Very high96.2Very high64 Ų6491.8 Ų91.866%0.6651%0.506SS*.THydrogen-bonded Turntrans57.4-126.9-172.400000110.7L58L58-G60 WeakPolarHBondContact CD1-O 3.42Å
61P96.8Very high96.3Very high132 Ų13288 Ų8886%0.85749%0.486SS*.THydrogen-bonded Turntrans-85.72177.735.2-34.2000114.6
62V98.1Very high96.6Very high84 Ų8481.9 Ų81.951%0.50946%0.457SS..EExtended strand (participates in β ladder)trans-118.2150.5-172.6-59.80000113.4V59 V64V59-V62 HydrophobicContact CB-CG2 4.47Å; V59-V62 PolarHBondContact N-O 3.23Å; V59-V62 WeakPolarHBondContact O-CG2 3.49Å; V59-V62 PolarHBondContact O-N 3.39Å; V59-V62 VanDerWaalsContact O-N 3.08Å; V62-V64 HydrophobicContact CG2-CG2 4.29Å
63L98.3Very high96.8Very high115 Ų11582.2 Ų82.260%0.60245%0.448SS*.EExtended strand (participates in β ladder)trans-96.7123.4171.7-70.2177.3000109.8Y56 L58Y56-L63 HydrophobicContact CD1-CB 4.25Å; Y56-L63 HydrophobicContact CG-CB 4.42Å; L58-L63 HydrophobicContact CB-CD2 4.08Å; L58-L63 HydrophobicContact CD1-CD2 3.96Å
64V97.8Very high96.8Very high74 Ų7482.1 Ų82.145%0.44845%0.449SS..EExtended strand (participates in β ladder)trans-108.9126.2178.6-177.70000108.6Y56 K57 V59 V62 Q66Y56-V64 CarbonylContact C-O 3.56Å; Y56-V64 WeakPolarHBondContact CA-O 3.37Å; K57-V64 PolarHBondContact N-O 2.94Å; K57-V64 PolarHBondContact O-N 3.28Å; V59-V64 HydrophobicContact CB-CG2 4.22Å; V59-V64 HydrophobicContact CG2-CB 4.41Å; V59-V64 HydrophobicContact CG2-CG2 3.93Å; V62-V64 HydrophobicContact CG2-CG2 4.29Å; V64-Q66 PolarHBondContact O-N 3.02Å
65K97.3Very high96.9Very high139 Ų13979.3 Ų79.360%0.60443%0.432SS*.EExtended strand (participates in β ladder)trans-61.6134.6175.9-172.7179.3178.7-177.30109.3T54 I55 Y56T54-K65 HydrophobicContact CG2-CD 4.22Å; T54-K65 HydrophobicContact CG2-CG 4.09Å; I55-K65 WeakPolarHBondContact O-CA 3.42Å; Y56-K65 HydrophobicContact CD1-CB 4.15Å; Y56-K65 HydrophobicContact CE1-CB 3.97Å; Y56-K65 HydrophobicContact CE1-CG 4.42Å
66Q95.8Very high97.1Very high28 Ų2880.6 Ų80.613%0.13144%0.443CS..EExtended strand (participates in β ladder)trans-131.2143.1178.8-171.3173.10.800109.9I55 V64 E70 A71I55-Q66 HydrophobicContact CG2-CB 4.49Å; I55-Q66 PolarHBondContact O-N 3.42Å; V64-Q66 PolarHBondContact O-N 3.02Å; Q66-E70 HydrophobicContact CG-CB 4.36Å; Q66-A71 HydrophobicContact CG-CB 4.32Å
67D96.1Very high97.1Very high101 Ų10180.4 Ų80.454%0.5445%0.445SS..  trans-72.6143.2175.9-68.9-41.8000111.2S69 E70 A71D67-S69 VanDerWaalsContact C-N 3.29Å; D67-S69 PolarHBondContact O-N 2.76Å; D67-E70 HydrophobicContact CB-CB 4.29Å; D67-E70 PolarHBondContact O-N 2.76Å; D67-A71 WeakPolarHBondContact O-CB 3.37Å; D67-A71 PolarHBondContact O-N 2.88Å
68L96.3Very high97.2Very high33 Ų3381.1 Ų81.117%0.17345%0.445CS..Hα-helixtrans-57.6-41.3-178.8175.462.8000112.4L46 L49 I55 A71 K72L46-L68 HydrophobicContact CB-CD1 4.49Å; L46-L68 HydrophobicContact CD2-CD1 4.26Å; L49-L68 HydrophobicContact CB-CD1 3.87Å; L49-L68 HydrophobicContact CB-CD2 4.33Å; L49-L68 HydrophobicContact CD1-CD1 4.3Å; I55-L68 HydrophobicContact CD1-CB 3.87Å; I55-L68 HydrophobicContact CD1-CD1 3.38Å; I55-L68 HydrophobicContact CD1-CG 4.22Å; L68-A71 PolarHBondContact O-N 3.16Å; L68-K72 HydrophobicContact CD1-CD 4.35Å; L68-K72 HydrophobicContact CD1-CG 4.43Å; L68-K72 HydrophobicContact CG-CD 4.45Å; L68-K72 WeakPolarHBondContact O-CG 3.4Å; L68-K72 PolarHBondContact O-N 3.26Å
69S95.8Very high97.3Very high88 Ų8876.9 Ų76.962%0.61542%0.423SS*.Hα-helixtrans-64.3-45.617851.30000111.9D67 K72 E73D67-S69 VanDerWaalsContact C-N 3.29Å; D67-S69 PolarHBondContact O-N 2.76Å; S69-K72 PolarHBondContact O-N 3.34Å; S69-E73 WeakPolarHBondContact O-CB 3.46Å; S69-E73 PolarHBondContact O-N 3.48Å
70E95.5Very high97.4Very high99 Ų9977.1 Ų77.146%0.46343%0.428SS..Hα-helixtrans-65-40.4177.9-170.9-169.2172.700111.6Q66 D67 E73 T74Q66-E70 HydrophobicContact CG-CB 4.36Å; D67-E70 HydrophobicContact CB-CB 4.29Å; D67-E70 PolarHBondContact O-N 2.76Å; E70-E73 PolarHBondContact O-N 3.26Å; E70-T74 WeakPolarHBondContact O-CB 3.4Å; E70-T74 PolarHBondContact O-N 2.8Å; E70-T74 PolarHBondContact O-OG1 3.17Å
71A96.9Very high97.5Very high6 Ų680.9 Ų80.95%0.0542%0.423CS..Hα-helixtrans-60.5-49.2175.300000111L46 I55 Q66 D67 L68 T74 V75L46-A71 HydrophobicContact CD1-CB 4.06Å; L46-A71 HydrophobicContact CD2-CB 4.26Å; I55-A71 HydrophobicContact CD1-CB 4.38Å; Q66-A71 HydrophobicContact CG-CB 4.32Å; D67-A71 WeakPolarHBondContact O-CB 3.37Å; D67-A71 PolarHBondContact O-N 2.88Å; L68-A71 PolarHBondContact O-N 3.16Å; A71-T74 PolarHBondContact O-N 3.24Å; A71-V75 WeakPolarHBondContact O-CG2 3.44Å; A71-V75 PolarHBondContact O-N 3.23Å; A71-V75 VanDerWaalsContact O-N 3.07Å
72K97.8Very high97.6Very high65 Ų6574.7 Ų74.728%0.28338%0.383SS..Hα-helixtrans-58.9-49.3176.1-76.3-179.8173.8172.80111.6I43 L46 L68 S69 T74 V75 S76I43-K72 HydrophobicContact CD1-CB 4.07Å; I43-K72 HydrophobicContact CD1-CG 4.07Å; L46-K72 VanDerWaalsContact C-CE 3.41Å; L46-K72 HydrophobicContact CB-CG 3.93Å; L46-K72 HydrophobicContact CD1-CG 4.11Å; L46-K72 WeakPolarHBondContact O-CE 3.4Å; L46-K72 PolarHBondContact O-NZ 2.99Å; L68-K72 HydrophobicContact CD1-CD 4.35Å; L68-K72 HydrophobicContact CD1-CG 4.43Å; L68-K72 HydrophobicContact CG-CD 4.45Å; L68-K72 WeakPolarHBondContact O-CG 3.4Å; L68-K72 PolarHBondContact O-N 3.26Å; S69-K72 PolarHBondContact O-N 3.34Å; K72-T74 VanDerWaalsContact C-N 3.32Å; K72-T74 PolarHBondContact O-N 3.39Å; K72-V75 PolarHBondContact O-N 3.02Å; K72-S76 WeakPolarHBondContact O-CB 3.45Å; K72-S76 PolarHBondContact O-N 3.33Å; K72-S76 PolarHBondContact O-OG 3.11Å
73E98Very high97.6Very high104 Ų10474 Ų7449%0.48638%0.378SS..Hα-helixtrans-60.2-42179.9-173.4-177.4177.100112S69 E70 S76 K77S69-E73 WeakPolarHBondContact O-CB 3.46Å; S69-E73 PolarHBondContact O-N 3.48Å; E70-E73 PolarHBondContact O-N 3.26Å; E73-S76 PolarHBondContact O-N 2.91Å; E73-K77 HydrophobicContact CG-CD 4.28Å; E73-K77 WeakPolarHBondContact O-CB 3.4Å; E73-K77 WeakPolarHBondContact O-CG 3.42Å; E73-K77 PolarHBondContact O-N 3.46Å; E73-K77 WeakPolarHBondContact OE1-CE 3.48Å; E73-K77 IonicContact OE1-NZ 2.62Å; E73-K77 PolarHBondContact OE1-NZ 3.34Å
74T97.3Very high97.6Very high63 Ų6371.5 Ų71.539%0.38737%0.371SS..Hα-helixtrans-61.3-47.7178.2-61.20000111.5E70 A71 K72 K77 R78E70-T74 WeakPolarHBondContact O-CB 3.4Å; E70-T74 PolarHBondContact O-N 2.8Å; E70-T74 PolarHBondContact O-OG1 3.17Å; A71-T74 PolarHBondContact O-N 3.24Å; K72-T74 VanDerWaalsContact C-N 3.32Å; K72-T74 PolarHBondContact O-N 3.39Å; T74-K77 PolarHBondContact O-N 3.15Å; T74-R78 PolarHBondContact O-N 3.42Å
75V98.1Very high97.6Very high17 Ų1769.7 Ų69.710%0.10336%0.357CS..Hα-helixtrans-67.8-41.8179.8179.80000110.5N39 V42 I43 L46 A71 K72 K77 R78 I79N39-V75 HydrophobicContact CB-CG1 4.13Å; N39-V75 WeakPolarHBondContact O-CG1 3.38Å; V42-V75 HydrophobicContact CB-CG1 4.4Å; V42-V75 HydrophobicContact CG1-CG1 4.28Å; V42-V75 HydrophobicContact CG1-CG2 3.83Å; I43-V75 HydrophobicContact CB-CG1 3.84Å; I43-V75 HydrophobicContact CD1-CB 4.19Å; I43-V75 HydrophobicContact CD1-CG1 4.31Å; L46-V75 HydrophobicContact CD1-CG2 4.04Å; A71-V75 WeakPolarHBondContact O-CG2 3.44Å; A71-V75 PolarHBondContact O-N 3.23Å; A71-V75 VanDerWaalsContact O-N 3.07Å; K72-V75 PolarHBondContact O-N 3.02Å; V75-K77 PolarHBondContact O-N 3.09Å; V75-R78 WeakPolarHBondContact O-CB 3.26Å; V75-R78 PolarHBondContact O-N 3.04Å; V75-R78 VanDerWaalsContact O-N 3.12Å; V75-I79 HydrophobicContact CG1-CD1 4.11Å; V75-I79 HydrophobicContact CG1-CG1 4.47Å; V75-I79 WeakPolarHBondContact O-CG1 3.35Å; V75-I79 PolarHBondContact O-N 3.07Å
76S98.5Very high97.7Very high52 Ų5264.1 Ų64.136%0.36433%0.334SS..Hα-helixtrans-61.5-40.9176-62.10000113.3K72 E73 R78 I79 S80K72-S76 WeakPolarHBondContact O-CB 3.45Å; K72-S76 PolarHBondContact O-N 3.33Å; K72-S76 PolarHBondContact O-OG 3.11Å; E73-S76 PolarHBondContact O-N 2.91Å; S76-R78 VanDerWaalsContact C-N 3.31Å; S76-R78 PolarHBondContact O-N 3.19Å; S76-I79 PolarHBondContact O-N 3.36Å; S76-S80 WeakPolarHBondContact O-CB 3.33Å; S76-S80 PolarHBondContact O-N 3.04Å; S76-S80 PolarHBondContact O-OG 3.11Å
77K98.6Very high97.8Very high127 Ų12769.2 Ų69.255%0.55236%0.356SS*.Hα-helixtrans-62.8-40.2173.4-76175.5-177168.10111.3E73 T74 V75 S80 Y81E73-K77 HydrophobicContact CG-CD 4.28Å; E73-K77 WeakPolarHBondContact O-CB 3.4Å; E73-K77 WeakPolarHBondContact O-CG 3.42Å; E73-K77 PolarHBondContact O-N 3.46Å; E73-K77 WeakPolarHBondContact OE1-CE 3.48Å; E73-K77 IonicContact OE1-NZ 2.62Å; E73-K77 PolarHBondContact OE1-NZ 3.34Å; T74-K77 PolarHBondContact O-N 3.15Å; V75-K77 PolarHBondContact O-N 3.09Å; K77-S80 PolarHBondContact O-N 3.13Å; K77-Y81 WeakPolarHBondContact O-CB 3.49Å; K77-Y81 PolarHBondContact O-N 3.31Å
78R98.4Very high97.9Very high121 Ų12172.2 Ų72.246%0.45736%0.36SS..Hα-helixtrans-65.4-45.6177.6-176161.1-178.2-168.43.4112.3N39 T74 V75 S76 S80 Y81 I82N39-R78 VanDerWaalsContact OD1-CD 3.25Å; N39-R78 WeakPolarHBondContact OD1-CD 3.39Å; T74-R78 PolarHBondContact O-N 3.42Å; V75-R78 WeakPolarHBondContact O-CB 3.26Å; V75-R78 PolarHBondContact O-N 3.04Å; V75-R78 VanDerWaalsContact O-N 3.12Å; S76-R78 VanDerWaalsContact C-N 3.31Å; S76-R78 PolarHBondContact O-N 3.19Å; R78-S80 PolarHBondContact O-N 3.1Å; R78-Y81 PolarHBondContact O-N 2.99Å; R78-I82 HydrophobicContact CG-CD1 3.76Å; R78-I82 HydrophobicContact CG-CG1 4.42Å; R78-I82 VanDerWaalsContact O-CG1 3.29Å; R78-I82 WeakPolarHBondContact O-CG1 3.33Å; R78-I82 PolarHBondContact O-N 3.33Å
79I98.7Very high98Very high30 Ų3072 Ų7215%0.15436%0.357CS..Hα-helixtrans-54.5-53.2172.7-70.8170.8000109.7L36 N39 E40 I43 V75 S76 Y81 I82 T83L36-I79 HydrophobicContact CD1-CB 4.37Å; L36-I79 HydrophobicContact CD1-CG1 4.44Å; L36-I79 HydrophobicContact CD1-CG2 3.86Å; N39-I79 HydrophobicContact CB-CD1 4.34Å; N39-I79 HydrophobicContact CB-CG1 3.71Å; E40-I79 HydrophobicContact CG-CD1 4.38Å; I43-I79 HydrophobicContact CB-CD1 4.07Å; I43-I79 HydrophobicContact CG2-CD1 3.62Å; V75-I79 HydrophobicContact CG1-CD1 4.11Å; V75-I79 HydrophobicContact CG1-CG1 4.47Å; V75-I79 WeakPolarHBondContact O-CG1 3.35Å; V75-I79 PolarHBondContact O-N 3.07Å; S76-I79 PolarHBondContact O-N 3.36Å; I79-Y81 VanDerWaalsContact C-N 3.31Å; I79-Y81 PolarHBondContact O-N 3.29Å; I79-I82 PolarHBondContact O-N 3.45Å; I79-I82 VanDerWaalsContact O-N 3.14Å; I79-T83 PolarHBondContact O-N 3.27Å; I79-T83 PolarHBondContact O-OG1 3.11Å
80S98.6Very high98Very high78 Ų7870.5 Ų70.555%0.54534%0.343SS..Hα-helixtrans-56.9-43.6-178.8-57.40000112.6S76 K77 R78 S84S76-S80 WeakPolarHBondContact O-CB 3.33Å; S76-S80 PolarHBondContact O-N 3.04Å; S76-S80 PolarHBondContact O-OG 3.11Å; K77-S80 PolarHBondContact O-N 3.13Å; R78-S80 PolarHBondContact O-N 3.1Å; S80-S84 WeakPolarHBondContact O-CB 3.45Å; S80-S84 PolarHBondContact O-N 2.99Å
81Y98.6Very high98.2Very high142 Ų14269.7 Ų69.756%0.55734%0.341SS*.Hα-helixtrans-62-51175.8175.5-95.8000111.7K77 R78 I79 T83 S84 E85K77-Y81 WeakPolarHBondContact O-CB 3.49Å; K77-Y81 PolarHBondContact O-N 3.31Å; R78-Y81 PolarHBondContact O-N 2.99Å; I79-Y81 VanDerWaalsContact C-N 3.31Å; I79-Y81 PolarHBondContact O-N 3.29Å; Y81-T83 PolarHBondContact O-N 2.82Å; Y81-S84 PolarHBondContact O-N 2.92Å; Y81-S84 VanDerWaalsContact O-N 3.14Å; Y81-S84 PolarHBondContact O-OG 3.47Å; Y81-E85 HydrophobicContact CD1-CG 4.44Å; Y81-E85 HydrophobicContact CE1-CG 3.9Å; Y81-E85 HydrophobicContact CE2-CG 4.13Å; Y81-E85 PolarHBondContact O-N 3.1Å
82I98.5Very high98.2Very high3 Ų373.1 Ų73.12%0.01535%0.353CS..Hα-helixtrans-61.7-44.3-178.4-66.9167.4000110.7L32 Q35 L36 R78 I79 S84 E85 I86L32-I82 HydrophobicContact CB-CG2 4.15Å; L32-I82 HydrophobicContact CD2-CG2 4.3Å; L32-I82 WeakPolarHBondContact O-CG2 3.42Å; Q35-I82 HydrophobicContact CB-CD1 3.98Å; L36-I82 HydrophobicContact CB-CG2 3.78Å; L36-I82 HydrophobicContact CD1-CB 4.43Å; L36-I82 HydrophobicContact CD1-CG2 4.26Å; R78-I82 HydrophobicContact CG-CD1 3.76Å; R78-I82 HydrophobicContact CG-CG1 4.42Å; R78-I82 VanDerWaalsContact O-CG1 3.29Å; R78-I82 WeakPolarHBondContact O-CG1 3.33Å; R78-I82 PolarHBondContact O-N 3.33Å; I79-I82 PolarHBondContact O-N 3.45Å; I79-I82 VanDerWaalsContact O-N 3.14Å; I82-S84 VanDerWaalsContact C-N 3.3Å; I82-S84 PolarHBondContact O-N 3.39Å; I82-E85 PolarHBondContact O-N 2.97Å; I82-I86 HydrophobicContact CG2-CD1 3.92Å; I82-I86 HydrophobicContact CG2-CG1 4.43Å; I82-I86 WeakPolarHBondContact O-CG1 3.42Å; I82-I86 PolarHBondContact O-N 3.09Å
83T98.5Very high98.2Very high68 Ų6870.5 Ų70.542%0.41734%0.342SS..Hα-helixtrans-58.5-41.9175.4-560000111.7I79 Y81 I86 K87I79-T83 PolarHBondContact O-N 3.27Å; I79-T83 PolarHBondContact O-OG1 3.11Å; Y81-T83 PolarHBondContact O-N 2.82Å; T83-I86 PolarHBondContact O-N 3.09Å; T83-K87 PolarHBondContact O-N 3.3Å; T83-K87 VanDerWaalsContact O-N 3.1Å
84S98.5Very high98.2Very high63 Ų6371.7 Ų71.744%0.44135%0.346SS..Hα-helixtrans-66.2-38.3177.578.20000112.7S80 Y81 I82 K87 R88S80-S84 WeakPolarHBondContact O-CB 3.45Å; S80-S84 PolarHBondContact O-N 2.99Å; Y81-S84 PolarHBondContact O-N 2.92Å; Y81-S84 VanDerWaalsContact O-N 3.14Å; Y81-S84 PolarHBondContact O-OG 3.47Å; I82-S84 VanDerWaalsContact C-N 3.3Å; I82-S84 PolarHBondContact O-N 3.39Å; S84-K87 PolarHBondContact O-N 3.23Å; S84-R88 PolarHBondContact O-N 3.33Å
85E98.2Very high98.3Very high36 Ų3673.1 Ų73.117%0.16835%0.348CS..Hα-helixtrans-70.6-39.3177.6-79-70.2101.700111.5L32 Y81 I82 K87 R88 H89L32-E85 HydrophobicContact CD1-CB 4.01Å; Y81-E85 HydrophobicContact CD1-CG 4.44Å; Y81-E85 HydrophobicContact CE1-CG 3.9Å; Y81-E85 HydrophobicContact CE2-CG 4.13Å; Y81-E85 PolarHBondContact O-N 3.1Å; I82-E85 PolarHBondContact O-N 2.97Å; E85-K87 PolarHBondContact O-N 2.81Å; E85-R88 WeakPolarHBondContact O-CB 3.42Å; E85-R88 PolarHBondContact O-N 3.05Å; E85-R88 WeakPolarHBondContact OE1-CD 3.36Å; E85-R88 IonicContact OE1-NH1 2.76Å; E85-R88 PolarHBondContact OE1-NH1 3.22Å; E85-R88 IonicContact OE2-NH1 3.19Å; E85-H89 PolarHBondContact O-N 3.43Å; E85-H89 PolarHBondContact O-ND1 3.05Å; E85-H89 IonicContact OE2-CE1 3.4Å
86I98.4Very high98.3Very high22 Ų2272.3 Ų72.311%0.11334%0.343CS..Hα-helixtrans-55.7-51.4171.8-76.1168.4000110.2L32 L36 I82 T83 R88 H89 D90L32-I86 HydrophobicContact CB-CD1 4.15Å; L32-I86 HydrophobicContact CB-CG1 3.72Å; L32-I86 HydrophobicContact CD1-CG1 4.33Å; L36-I86 HydrophobicContact CB-CD1 4.39Å; L36-I86 HydrophobicContact CD2-CD1 3.87Å; I82-I86 HydrophobicContact CG2-CD1 3.92Å; I82-I86 HydrophobicContact CG2-CG1 4.43Å; I82-I86 WeakPolarHBondContact O-CG1 3.42Å; I82-I86 PolarHBondContact O-N 3.09Å; T83-I86 PolarHBondContact O-N 3.09Å; I86-R88 VanDerWaalsContact C-N 3.29Å; I86-R88 PolarHBondContact O-N 3.29Å; I86-H89 WeakPolarHBondContact O-CA 3.42Å; I86-H89 WeakPolarHBondContact O-CB 3.35Å; I86-H89 PolarHBondContact O-N 3.47Å; I86-D90 PolarHBondContact O-N 3.43Å
87K98.1Very high98.2Very high136 Ų13674.1 Ų74.159%0.59135%0.346SS*.Hα-helixtrans-57.8-42.3178.7-175.7-179.9179-179.70112.2T83 S84 E85 H89 D90 D91T83-K87 PolarHBondContact O-N 3.3Å; T83-K87 VanDerWaalsContact O-N 3.1Å; S84-K87 PolarHBondContact O-N 3.23Å; E85-K87 PolarHBondContact O-N 2.81Å; K87-H89 VanDerWaalsContact C-N 3.3Å; K87-H89 PolarHBondContact O-N 3.18Å; K87-D90 PolarHBondContact O-N 3.47Å; K87-D91 PolarHBondContact O-N 3.42Å
88R98Very high98.2Very high164 Ų16475 Ų7562%0.61935%0.35SS*.Hα-helixtrans-61.3-38.6176.3-177.6-175.4176.3-167.1-0.3112.1S84 E85 I86 R92S84-R88 PolarHBondContact O-N 3.33Å; E85-R88 WeakPolarHBondContact O-CB 3.42Å; E85-R88 PolarHBondContact O-N 3.05Å; E85-R88 WeakPolarHBondContact OE1-CD 3.36Å; E85-R88 IonicContact OE1-NH1 2.76Å; E85-R88 PolarHBondContact OE1-NH1 3.22Å; E85-R88 IonicContact OE2-NH1 3.19Å; I86-R88 VanDerWaalsContact C-N 3.29Å; I86-R88 PolarHBondContact O-N 3.29Å; R88-R92 WeakPolarHBondContact O-CB 3.41Å; R88-R92 PolarHBondContact O-N 3.48Å
89H97.9Very high98.2Very high27 Ų2772.3 Ų72.313%0.12534%0.342CS..Hα-helixtrans-68-42.1176.7-74.555.4000111I25 E85 I86 K87 R92 I93I25-H89 HydrophobicContact CG2-CB 3.66Å; E85-H89 PolarHBondContact O-N 3.43Å; E85-H89 PolarHBondContact O-ND1 3.05Å; E85-H89 IonicContact OE2-CE1 3.4Å; I86-H89 WeakPolarHBondContact O-CA 3.42Å; I86-H89 WeakPolarHBondContact O-CB 3.35Å; I86-H89 PolarHBondContact O-N 3.47Å; K87-H89 VanDerWaalsContact C-N 3.3Å; K87-H89 PolarHBondContact O-N 3.18Å; H89-R92 PolarHBondContact O-N 3.18Å; H89-I93 WeakPolarHBondContact O-CG1 3.34Å; H89-I93 PolarHBondContact O-N 3.15Å
90D97.6Very high98.2Very high58 Ų5873.3 Ų73.331%0.3135%0.346SS..Hα-helixtrans-61.1-44.9175.6-68.9-23.7000112.2H29 I86 K87 R92 I93 K94H29-D90 IonicContact CD2-OD1 3.26Å; H29-D90 PolarHBondContact CD2-OD1 2.99Å; H29-D90 VanDerWaalsContact CD2-OD1 3.23Å; H29-D90 IonicContact NE2-OD1 2.76Å; H29-D90 PolarHBondContact NE2-OD1 3.48Å; I86-D90 PolarHBondContact O-N 3.43Å; K87-D90 PolarHBondContact O-N 3.47Å; D90-R92 VanDerWaalsContact C-N 3.31Å; D90-R92 PolarHBondContact O-N 2.88Å; D90-I93 PolarHBondContact O-N 2.92Å; D90-K94 WeakPolarHBondContact O-CG 3.23Å; D90-K94 PolarHBondContact O-N 3Å
91D98.2Very high98.1Very high81 Ų8172.6 Ų72.643%0.43333%0.334SS..Hα-helixtrans-65.2-37.4178.2-70.8-21.9000111.2K87 K94 E95K87-D91 PolarHBondContact O-N 3.42Å; D91-K94 PolarHBondContact O-N 3.24Å; D91-K94 IonicContact OD1-NZ 3.74Å; D91-E95 PolarHBondContact O-N 2.9Å; D91-E95 VanDerWaalsContact O-N 3.09Å
92R97.9Very high98.1Very high79 Ų7969.6 Ų69.630%0.29833%0.328SS..Hα-helixtrans-66.7-39.7174-178.259.7-179.3167.70.9112.4E21 I25 R88 H89 D90 E95 L96E21-R92 IonicContact OE1-CZ 3.86Å; E21-R92 IonicContact OE1-NE 3.23Å; E21-R92 PolarHBondContact OE1-NE 3.38Å; E21-R92 VanDerWaalsContact OE1-NE 3.17Å; E21-R92 IonicContact OE1-NH2 3.67Å; E21-R92 PolarHBondContact OE1-NH2 3.34Å; E21-R92 IonicContact OE2-NH2 3.92Å; I25-R92 HydrophobicContact CD1-CB 4.36Å; I25-R92 HydrophobicContact CD1-CG 3.55Å; R88-R92 WeakPolarHBondContact O-CB 3.41Å; R88-R92 PolarHBondContact O-N 3.48Å; H89-R92 PolarHBondContact O-N 3.18Å; D90-R92 VanDerWaalsContact C-N 3.31Å; D90-R92 PolarHBondContact O-N 2.88Å; R92-E95 IonicContact CZ-OE2 3.17Å; R92-E95 IonicContact NH1-OE1 3.39Å; R92-E95 PolarHBondContact NH1-OE1 3.43Å; R92-E95 IonicContact NH1-OE2 3.63Å; R92-E95 PolarHBondContact NH1-OE2 3.18Å; R92-E95 PolarHBondContact O-N 3.06Å; R92-L96 HydrophobicContact CG-CD1 4.09Å; R92-L96 WeakPolarHBondContact O-CG 3.31Å; R92-L96 PolarHBondContact O-N 3.04Å
93I98.1Very high98Very high10 Ų1069.5 Ų69.55%0.05133%0.327CS..Hα-helixtrans-59.4-48.8174.6-72.8166.6000109.8I25 F26 H89 D90 E95 L96 E97I25-I93 HydrophobicContact CB-CD1 4.41Å; I25-I93 HydrophobicContact CB-CG1 4.15Å; I25-I93 HydrophobicContact CG2-CD1 3.77Å; I25-I93 HydrophobicContact CG2-CG1 3.66Å; F26-I93 HydrophobicContact CD1-CD1 3.92Å; F26-I93 HydrophobicContact CD2-CD1 4.5Å; F26-I93 HydrophobicContact CE1-CD1 3.79Å; F26-I93 HydrophobicContact CE2-CD1 4.39Å; F26-I93 HydrophobicContact CG-CD1 4.27Å; F26-I93 HydrophobicContact CZ-CD1 4.03Å; F26-I93 HydrophobicContact CZ-CG2 4.18Å; H89-I93 WeakPolarHBondContact O-CG1 3.34Å; H89-I93 PolarHBondContact O-N 3.15Å; D90-I93 PolarHBondContact O-N 2.92Å; I93-E95 VanDerWaalsContact C-N 3.29Å; I93-E95 PolarHBondContact O-N 3.39Å; I93-L96 PolarHBondContact O-N 2.93Å; I93-L96 VanDerWaalsContact O-N 3.1Å; I93-E97 HydrophobicContact CG2-CG 4.12Å; I93-E97 WeakPolarHBondContact O-CG 3.48Å; I93-E97 PolarHBondContact O-N 2.94Å
94K97.9Very high97.9Very high128 Ų12873.3 Ų73.356%0.55733%0.334SS*.Hα-helixtrans-58.5-40.4178.6-69170.4-170.11630112.6D90 D91 K98D90-K94 WeakPolarHBondContact O-CG 3.23Å; D90-K94 PolarHBondContact O-N 3Å; D91-K94 PolarHBondContact O-N 3.24Å; D91-K94 IonicContact OD1-NZ 3.74Å; K94-K98 PolarHBondContact O-N 2.93Å; K94-K98 VanDerWaalsContact O-N 3.09Å
95E98.2Very high97.9Very high94 Ų9474.7 Ų74.744%0.43933%0.334SS..Hα-helixtrans-62.6-47.2175.4-168.6-163.3162.600111.3D91 R92 I93 K98 Q99D91-E95 PolarHBondContact O-N 2.9Å; D91-E95 VanDerWaalsContact O-N 3.09Å; R92-E95 IonicContact CZ-OE2 3.17Å; R92-E95 IonicContact NH1-OE1 3.39Å; R92-E95 PolarHBondContact NH1-OE1 3.43Å; R92-E95 IonicContact NH1-OE2 3.63Å; R92-E95 PolarHBondContact NH1-OE2 3.18Å; R92-E95 PolarHBondContact O-N 3.06Å; I93-E95 VanDerWaalsContact C-N 3.29Å; I93-E95 PolarHBondContact O-N 3.39Å; E95-K98 PolarHBondContact O-N 3.48Å; E95-Q99 WeakPolarHBondContact O-CG 3.45Å; E95-Q99 PolarHBondContact O-N 2.59Å; E95-Q99 PolarHBondContact OE1-NE2 3.35Å; E95-Q99 VanDerWaalsContact OE1-NE2 3.13Å
96L98.4Very high97.8Very high0 Ų077.4 Ų77.40%035%0.346CS..Hα-helixtrans-64.7-39.9179-73.8170000112.3I18 E21 I22 I25 R92 I93 K98 Q99 Q100I18-L96 HydrophobicContact CG2-CB 4.04Å; I18-L96 HydrophobicContact CG2-CD2 4.14Å; I18-L96 WeakPolarHBondContact CG2-O 3.5Å; E21-L96 HydrophobicContact CB-CD1 4.17Å; E21-L96 HydrophobicContact CG-CD1 3.77Å; I22-L96 HydrophobicContact CD1-CB 3.91Å; I22-L96 HydrophobicContact CG1-CB 3.63Å; I22-L96 HydrophobicContact CG1-CD1 3.91Å; I22-L96 HydrophobicContact CG1-CG 4.41Å; I25-L96 HydrophobicContact CD1-CD1 3.4Å; R92-L96 HydrophobicContact CG-CD1 4.09Å; R92-L96 WeakPolarHBondContact O-CG 3.31Å; R92-L96 PolarHBondContact O-N 3.04Å; I93-L96 PolarHBondContact O-N 2.93Å; I93-L96 VanDerWaalsContact O-N 3.1Å; L96-K98 VanDerWaalsContact C-N 3.33Å; L96-K98 PolarHBondContact O-N 3.32Å; L96-Q99 WeakPolarHBondContact O-CB 3.31Å; L96-Q99 PolarHBondContact O-N 3.47Å; L96-Q100 WeakPolarHBondContact O-CB 3.34Å; L96-Q100 PolarHBondContact O-N 3.06Å
97E97.7Very high97.8Very high89 Ų8977.6 Ų77.642%0.41635%0.347SS..Hα-helixtrans-60.9-42.4174.6-73.2175.2156.600111.3I22 I93 Q99 Q100 E101I22-E97 HydrophobicContact CD1-CG 4.11Å; I93-E97 HydrophobicContact CG2-CG 4.12Å; I93-E97 WeakPolarHBondContact O-CG 3.48Å; I93-E97 PolarHBondContact O-N 2.94Å; E97-Q99 VanDerWaalsContact C-N 3.34Å; E97-Q99 PolarHBondContact O-N 3.28Å; E97-Q100 WeakPolarHBondContact O-CB 3.41Å; E97-Q100 PolarHBondContact O-N 3.01Å; E97-E101 PolarHBondContact O-N 3.35Å
98K98.2Very high97.8Very high146 Ų14673.5 Ų73.564%0.63534%0.336SS*.Hα-helixtrans-63.4-39.8173.6-173.4-179.2-178.5-179.90112.1K94 E95 L96 Q100 E101 N102K94-K98 PolarHBondContact O-N 2.93Å; K94-K98 VanDerWaalsContact O-N 3.09Å; E95-K98 PolarHBondContact O-N 3.48Å; L96-K98 VanDerWaalsContact C-N 3.33Å; L96-K98 PolarHBondContact O-N 3.32Å; K98-Q100 VanDerWaalsContact C-N 3.33Å; K98-E101 PolarHBondContact O-N 2.87Å; K98-N102 PolarHBondContact O-N 3.23Å; K98-N102 VanDerWaalsContact O-N 3.15Å; K98-N102 PolarHBondContact O-ND2 3.21Å
99Q98.1Very high97.7Very high65 Ų6571.9 Ų71.930%0.30433%0.333SS..Hα-helixtrans-65.3-39.3174.8-68178.715.800111.5I18 E95 L96 E97 E101 N102 C103I18-Q99 HydrophobicContact CD1-CB 3.84Å; E95-Q99 WeakPolarHBondContact O-CG 3.45Å; E95-Q99 PolarHBondContact O-N 2.59Å; E95-Q99 PolarHBondContact OE1-NE2 3.35Å; E95-Q99 VanDerWaalsContact OE1-NE2 3.13Å; L96-Q99 WeakPolarHBondContact O-CB 3.31Å; L96-Q99 PolarHBondContact O-N 3.47Å; E97-Q99 VanDerWaalsContact C-N 3.34Å; E97-Q99 PolarHBondContact O-N 3.28Å; Q99-E101 VanDerWaalsContact C-N 3.35Å; Q99-N102 PolarHBondContact O-N 2.94Å; Q99-C103 PolarHBondContact O-N 3.21Å; Q99-C103 PolarHBondContact O-SG 2.91Å
100Q97.7Very high97.6Very high51 Ų5171.8 Ų71.824%0.23833%0.334CS..Hα-helixtrans-62.7-41.7175.9-168.8179.641.900111.6I18 L96 E97 K98 C103 R104I18-Q100 HydrophobicContact CG2-CB 3.94Å; L96-Q100 WeakPolarHBondContact O-CB 3.34Å; L96-Q100 PolarHBondContact O-N 3.06Å; E97-Q100 WeakPolarHBondContact O-CB 3.41Å; E97-Q100 PolarHBondContact O-N 3.01Å; K98-Q100 VanDerWaalsContact C-N 3.33Å; Q100-C103 PolarHBondContact O-N 2.65Å; Q100-R104 PolarHBondContact O-N 3.31Å
101E97.2Very high97.5Very high63 Ų6374 Ų7429%0.29434%0.342SS..Hα-helixtrans-57.7-49.2174.1-173.860.1-134.600111.4E97 K98 Q99 C103 R104 E105E97-E101 PolarHBondContact O-N 3.35Å; K98-E101 PolarHBondContact O-N 2.87Å; Q99-E101 VanDerWaalsContact C-N 3.35Å; E101-C103 VanDerWaalsContact C-N 3.31Å; E101-C103 PolarHBondContact O-N 3.23Å; E101-R104 WeakPolarHBondContact O-CA 3.29Å; E101-R104 WeakPolarHBondContact O-CB 3.48Å; E101-R104 PolarHBondContact O-N 3.3Å; E101-R104 IonicContact OE1-CZ 3.13Å; E101-R104 IonicContact OE1-NE 3.85Å; E101-R104 PolarHBondContact OE1-NE 3.46Å; E101-R104 IonicContact OE1-NH2 2.65Å; E101-R104 PolarHBondContact OE1-NH2 3.44Å; E101-R104 IonicContact OE2-CZ 2.59Å; E101-R104 IonicContact OE2-NE 2.89Å; E101-R104 IonicContact OE2-NH1 3.21Å; E101-R104 PolarHBondContact OE2-NH1 3.1Å; E101-R104 IonicContact OE2-NH2 3.18Å; E101-R104 PolarHBondContact OE2-NH2 2.95Å; E101-E105 PolarHBondContact O-N 3.46Å
102N97.9Very high97.3Very high78 Ų7875.4 Ų75.442%0.41735%0.346SS..Hα-helixtrans-59-42.6177.9-68.7-30.5000111.9K98 Q99 R104 E105 Q106K98-N102 PolarHBondContact O-N 3.23Å; K98-N102 VanDerWaalsContact O-N 3.15Å; K98-N102 PolarHBondContact O-ND2 3.21Å; Q99-N102 PolarHBondContact O-N 2.94Å; N102-R104 VanDerWaalsContact C-N 3.32Å; N102-R104 PolarHBondContact O-N 3.39Å; N102-E105 PolarHBondContact O-N 3.3Å; N102-Q106 WeakPolarHBondContact O-CG 3.44Å; N102-Q106 PolarHBondContact O-N 3.21Å
103C97.4Very high97.1Very high1 Ų176.3 Ų76.31%0.00735%0.352CS..Hα-helixtrans-61.3-42.6175-65.20000110.8A15 Q99 Q100 E101 E105 Q106 I107A15-C103 HydrophobicContact CB-CB 4.01Å; Q99-C103 PolarHBondContact O-N 3.21Å; Q99-C103 PolarHBondContact O-SG 2.91Å; Q100-C103 PolarHBondContact O-N 2.65Å; E101-C103 VanDerWaalsContact C-N 3.31Å; E101-C103 PolarHBondContact O-N 3.23Å; C103-E105 PolarHBondContact O-N 2.94Å; C103-Q106 PolarHBondContact O-N 3.43Å; C103-I107 WeakPolarHBondContact O-CB 3.3Å; C103-I107 WeakPolarHBondContact O-CD1 3.5Å; C103-I107 VanDerWaalsContact O-CG1 3.23Å; C103-I107 WeakPolarHBondContact O-CG1 3.47Å; C103-I107 PolarHBondContact O-N 3.23Å
104R96.7Very high96.8Very high149 Ų14976.3 Ų76.356%0.56235%0.352SS*.Hα-helixtrans-61.2-43.4178-172.1175.571.7-158.316112.1Q100 E101 N102 I107 S108Q100-R104 PolarHBondContact O-N 3.31Å; E101-R104 WeakPolarHBondContact O-CA 3.29Å; E101-R104 WeakPolarHBondContact O-CB 3.48Å; E101-R104 PolarHBondContact O-N 3.3Å; E101-R104 IonicContact OE1-CZ 3.13Å; E101-R104 IonicContact OE1-NE 3.85Å; E101-R104 PolarHBondContact OE1-NE 3.46Å; E101-R104 IonicContact OE1-NH2 2.65Å; E101-R104 PolarHBondContact OE1-NH2 3.44Å; E101-R104 IonicContact OE2-CZ 2.59Å; E101-R104 IonicContact OE2-NE 2.89Å; E101-R104 IonicContact OE2-NH1 3.21Å; E101-R104 PolarHBondContact OE2-NH1 3.1Å; E101-R104 IonicContact OE2-NH2 3.18Å; E101-R104 PolarHBondContact OE2-NH2 2.95Å; N102-R104 VanDerWaalsContact C-N 3.32Å; N102-R104 PolarHBondContact O-N 3.39Å; R104-I107 PolarHBondContact O-N 2.89Å; R104-S108 PolarHBondContact O-N 3.12Å
105E97.8Very high96.5Very high92 Ų9276 Ų7643%0.4335%0.353SS..Hα-helixtrans-62.1-42.8174.7-70-173-173.900112.2E101 N102 C103 S108 K109E101-E105 PolarHBondContact O-N 3.46Å; N102-E105 PolarHBondContact O-N 3.3Å; C103-E105 PolarHBondContact O-N 2.94Å; E105-S108 PolarHBondContact O-N 3.27Å; E105-K109 WeakPolarHBondContact O-CG 3.03Å; E105-K109 PolarHBondContact O-N 3.36Å
106Q97.2Very high96.2Very high93 Ų9376.9 Ų76.944%0.43536%0.357SS..Hα-helixtrans-65.3-42.7177.7-70.3-160.711.600112E11 N102 C103 S108 K109 L110E11-Q106 VanDerWaalsContact CD-OE1 3.25Å; E11-Q106 HydrophobicContact CG-CB 4.19Å; E11-Q106 PolarHBondContact OE1-OE1 3.01Å; N102-Q106 WeakPolarHBondContact O-CG 3.44Å; N102-Q106 PolarHBondContact O-N 3.21Å; C103-Q106 PolarHBondContact O-N 3.43Å; Q106-S108 VanDerWaalsContact C-N 3.33Å; Q106-S108 PolarHBondContact O-N 2.97Å; Q106-K109 PolarHBondContact O-N 3.42Å; Q106-L110 WeakPolarHBondContact O-CB 3.45Å; Q106-L110 VanDerWaalsContact O-CG 3.29Å; Q106-L110 WeakPolarHBondContact O-CG 3.5Å; Q106-L110 PolarHBondContact O-N 3.44Å
107I97.6Very high95.8Very high25 Ų2579.6 Ų79.613%0.12837%0.37CS..Hα-helixtrans-56.6-48.7173.9-72.7165.1000109.9L8 E11 I12 A15 C103 R104 K109 L110 Q111L8-I107 HydrophobicContact CD1-CB 4.3Å; L8-I107 HydrophobicContact CD1-CG1 4.3Å; L8-I107 HydrophobicContact CD1-CG2 3.88Å; E11-I107 HydrophobicContact CB-CD1 4.32Å; E11-I107 HydrophobicContact CB-CG1 3.74Å; I12-I107 HydrophobicContact CG1-CD1 3.89Å; I12-I107 HydrophobicContact CG1-CG1 4.16Å; A15-I107 HydrophobicContact CB-CD1 4.35Å; C103-I107 WeakPolarHBondContact O-CB 3.3Å; C103-I107 WeakPolarHBondContact O-CD1 3.5Å; C103-I107 VanDerWaalsContact O-CG1 3.23Å; C103-I107 WeakPolarHBondContact O-CG1 3.47Å; C103-I107 PolarHBondContact O-N 3.23Å; R104-I107 PolarHBondContact O-N 2.89Å; I107-K109 PolarHBondContact O-N 3.49Å; I107-L110 PolarHBondContact O-N 2.96Å; I107-Q111 HydrophobicContact CG2-CG 4.37Å; I107-Q111 WeakPolarHBondContact O-CB 3.43Å; I107-Q111 VanDerWaalsContact O-CG 3.3Å; I107-Q111 WeakPolarHBondContact O-CG 3.39Å; I107-Q111 PolarHBondContact O-N 3.35Å
108S97.3Very high95.3Very high51 Ų5179.5 Ų79.536%0.35737%0.369SS..Hα-helixtrans-59.5-46.1179-171.40000112.2R104 E105 Q106 L110 Q111 Q112R104-S108 PolarHBondContact O-N 3.12Å; E105-S108 PolarHBondContact O-N 3.27Å; Q106-S108 VanDerWaalsContact C-N 3.33Å; Q106-S108 PolarHBondContact O-N 2.97Å; S108-L110 PolarHBondContact O-N 3.33Å; S108-Q111 PolarHBondContact O-N 2.92Å; S108-Q112 WeakPolarHBondContact O-CG 3.5Å; S108-Q112 PolarHBondContact O-N 3.03Å
109K96.6Very high95Very high129 Ų12975.7 Ų75.756%0.56136%0.358SS*.Hα-helixtrans-60.6-42176.5-73.2169.7-177.2164.20112.2E105 Q106 I107 K113E105-K109 WeakPolarHBondContact O-CG 3.03Å; E105-K109 PolarHBondContact O-N 3.36Å; Q106-K109 PolarHBondContact O-N 3.42Å; I107-K109 PolarHBondContact O-N 3.49Å; K109-K113 WeakPolarHBondContact O-CB 3.34Å; K109-K113 PolarHBondContact O-N 3.04Å
110L96.1Very high94.6Very high26 Ų2678.9 Ų78.914%0.13637%0.371CS..Hα-helixtrans-69.2-39.4179.1-70166.1000111.8V4 R7 L8 E11 Q106 I107 S108 K113 L114V4-L110 HydrophobicContact CG1-CD2 3.94Å; R7-L110 HydrophobicContact CB-CD1 4.11Å; R7-L110 HydrophobicContact CB-CD2 4.3Å; L8-L110 HydrophobicContact CB-CB 4.38Å; L8-L110 HydrophobicContact CB-CD1 4.42Å; L8-L110 HydrophobicContact CD1-CB 4.21Å; E11-L110 HydrophobicContact CG-CD1 4.32Å; Q106-L110 WeakPolarHBondContact O-CB 3.45Å; Q106-L110 VanDerWaalsContact O-CG 3.29Å; Q106-L110 WeakPolarHBondContact O-CG 3.5Å; Q106-L110 PolarHBondContact O-N 3.44Å; I107-L110 PolarHBondContact O-N 2.96Å; S108-L110 PolarHBondContact O-N 3.33Å; L110-K113 PolarHBondContact O-N 2.96Å; L110-L114 WeakPolarHBondContact O-CG 3.47Å; L110-L114 PolarHBondContact O-N 2.96Å
111Q94.8Very high94Very high103 Ų10379.3 Ų79.348%0.48138%0.383SS..Hα-helixtrans-63.3-44.7174.5-73.8174-2100111.8L8 I107 S108 K113 L114 Q115L8-Q111 HydrophobicContact CD1-CG 4.03Å; L8-Q111 HydrophobicContact CD2-CG 4.26Å; I107-Q111 HydrophobicContact CG2-CG 4.37Å; I107-Q111 WeakPolarHBondContact O-CB 3.43Å; I107-Q111 VanDerWaalsContact O-CG 3.3Å; I107-Q111 WeakPolarHBondContact O-CG 3.39Å; I107-Q111 PolarHBondContact O-N 3.35Å; S108-Q111 PolarHBondContact O-N 2.92Å; Q111-K113 VanDerWaalsContact C-N 3.32Å; Q111-K113 PolarHBondContact O-N 3.43Å; Q111-L114 PolarHBondContact O-N 3.11Å; Q111-Q115 PolarHBondContact O-N 3.28Å
112Q94.9Very high93.6Very high111 Ų11179.6 Ų79.652%0.51940%0.397SS..Hα-helixtrans-60.1-42.4174.5-71.2175.614.700111.8S108 Q115 Q116S108-Q112 WeakPolarHBondContact O-CG 3.5Å; S108-Q112 PolarHBondContact O-N 3.03Å; Q112-Q115 PolarHBondContact O-N 2.95Å; Q112-Q116 WeakPolarHBondContact O-CG 3.29Å; Q112-Q116 PolarHBondContact O-N 3.45Å
113K93.3Very high93Very high98 Ų9882.7 Ų82.743%0.42641%0.412SS..Hα-helixtrans-62.1-44.2176.6-176.6172.7178.8174.40112V4 K109 L110 Q111 Q115 Q116 E117V4-K113 HydrophobicContact CG2-CD 4.33Å; K109-K113 WeakPolarHBondContact O-CB 3.34Å; K109-K113 PolarHBondContact O-N 3.04Å; L110-K113 PolarHBondContact O-N 2.96Å; Q111-K113 VanDerWaalsContact C-N 3.32Å; Q111-K113 PolarHBondContact O-N 3.43Å; K113-Q115 VanDerWaalsContact C-N 3.35Å; K113-Q116 PolarHBondContact O-N 3.33Å; K113-E117 WeakPolarHBondContact CE-OE1 3.42Å; K113-E117 WeakPolarHBondContact O-CG 3.47Å; K113-E117 PolarHBondContact O-N 3.38Å
114L92.3Very high92.3Very high11 Ų1191.6 Ų91.66%0.05845%0.451CS..Hα-helixtrans-60.7-44.5175.5-76.2169.7000111.5M1 V4 Y5 L8 L110 Q111 Q116 E117 H118M1-L114 HydrophobicContact CE-CD2 3.51Å; M1-L114 HydrophobicContact SD-CD2 4.4Å; V4-L114 HydrophobicContact CB-CD2 3.91Å; V4-L114 HydrophobicContact CB-CG 4.35Å; V4-L114 HydrophobicContact CG1-CD1 4.23Å; V4-L114 HydrophobicContact CG1-CD2 3.75Å; V4-L114 HydrophobicContact CG1-CG 3.63Å; Y5-L114 HydrophobicContact CD1-CD1 3.91Å; Y5-L114 HydrophobicContact CD1-CD2 4.38Å; Y5-L114 HydrophobicContact CD2-CD2 3.94Å; Y5-L114 HydrophobicContact CE1-CD1 3.76Å; Y5-L114 HydrophobicContact CE1-CD2 4.16Å; Y5-L114 HydrophobicContact CE2-CD2 3.68Å; Y5-L114 HydrophobicContact CG-CD1 4.47Å; Y5-L114 HydrophobicContact CG-CD2 4.27Å; L8-L114 HydrophobicContact CD2-CD1 3.69Å; L110-L114 WeakPolarHBondContact O-CG 3.47Å; L110-L114 PolarHBondContact O-N 2.96Å; Q111-L114 PolarHBondContact O-N 3.11Å; L114-Q116 VanDerWaalsContact C-N 3.34Å; L114-Q116 PolarHBondContact O-N 3.1Å; L114-E117 PolarHBondContact O-N 3.32Å; L114-H118 WeakPolarHBondContact O-CB 3.46Å; L114-H118 PolarHBondContact O-CD2 3.16Å; L114-H118 PolarHBondContact O-N 2.93Å
115Q91.9Very high91Very high121 Ų12191.2 Ų91.257%0.56548%0.48SS*.Hα-helixtrans-60.7-43.8177.8-174.459.239.700111.7Q111 Q112 K113 H118 T119Q111-Q115 PolarHBondContact O-N 3.28Å; Q112-Q115 PolarHBondContact O-N 2.95Å; K113-Q115 VanDerWaalsContact C-N 3.35Å; Q115-H118 PolarHBondContact O-N 3.29Å; Q115-T119 PolarHBondContact NE2-OG1 3.45Å; Q115-T119 PolarHBondContact O-N 3.35Å; Q115-T119 PolarHBondContact O-OG1 2.98Å; Q115-T119 VanDerWaalsContact O-OG1 3.1Å
116Q91.3Very high90.7Very high112 Ų11291.2 Ų91.252%0.52348%0.482SS..Hα-helixtrans-64.8-41.4176.8-70.6174.810.400112.5Q112 K113 L114 K120Q112-Q116 WeakPolarHBondContact O-CG 3.29Å; Q112-Q116 PolarHBondContact O-N 3.45Å; K113-Q116 PolarHBondContact O-N 3.33Å; L114-Q116 VanDerWaalsContact C-N 3.34Å; L114-Q116 PolarHBondContact O-N 3.1Å; Q116-K120 WeakPolarHBondContact O-CB 3.38Å; Q116-K120 VanDerWaalsContact O-CG 3.25Å; Q116-K120 WeakPolarHBondContact O-CG 3.48Å; Q116-K120 PolarHBondContact O-N 2.93Å
117E89.1Confident90.3Very high58 Ų5891.1 Ų91.127%0.27149%0.485SS..Hα-helixtrans-63.8-41.7175.9-74.3-178.2-163.600111M1 K113 L114 K120 A121M1-E117 HydrophobicContact CE-CB 4.21Å; M1-E117 PolarHBondContact N-OE2 3.46Å; M1-E117 VanDerWaalsContact N-OE2 3.11Å; M1-E117 HydrophobicContact SD-CB 3.52Å; M1-E117 VanDerWaalsContact SD-CB 3.52Å; M1-E117 HydrophobicContact SD-CG 4.3Å; K113-E117 WeakPolarHBondContact CE-OE1 3.42Å; K113-E117 WeakPolarHBondContact O-CG 3.47Å; K113-E117 PolarHBondContact O-N 3.38Å; L114-E117 PolarHBondContact O-N 3.32Å; E117-K120 PolarHBondContact O-N 2.91Å; E117-A121 WeakPolarHBondContact O-CB 3.34Å; E117-A121 PolarHBondContact O-N 2.96Å
118H89.1Confident89.9Confident86 Ų8694.8 Ų94.840%0.39851%0.505SS..Hα-helixtrans-62.7-49.7175.2-84.6-61.9000112.8M1 Y5 L114 Q115 K120 A121 A122M1-H118 VanDerWaalsContact CE-NE2 3.29Å; M1-H118 WeakPolarHBondContact CE-NE2 3.2Å; Y5-H118 PolarHBondContact OH-NE2 3.03Å; L114-H118 WeakPolarHBondContact O-CB 3.46Å; L114-H118 PolarHBondContact O-CD2 3.16Å; L114-H118 PolarHBondContact O-N 2.93Å; Q115-H118 PolarHBondContact O-N 3.29Å; H118-K120 VanDerWaalsContact C-N 3.31Å; H118-K120 PolarHBondContact O-N 3.43Å; H118-A121 PolarHBondContact O-N 3.18Å; H118-A122 WeakPolarHBondContact O-CB 3.31Å; H118-A122 PolarHBondContact O-N 3.05Å
119T90.6Very high89.5Confident67 Ų6797.4 Ų97.441%0.41151%0.513SS..Hα-helixtrans-61.5-40178.1-58.60000111.5Q115 A122 L123Q115-T119 PolarHBondContact NE2-OG1 3.45Å; Q115-T119 PolarHBondContact O-N 3.35Å; Q115-T119 PolarHBondContact O-OG1 2.98Å; Q115-T119 VanDerWaalsContact O-OG1 3.1Å; T119-A122 PolarHBondContact O-N 3.29Å; T119-L123 HydrophobicContact CG2-CD1 4.11Å; T119-L123 VanDerWaalsContact O-CG 3.31Å; T119-L123 WeakPolarHBondContact O-CG 3.25Å; T119-L123 PolarHBondContact O-N 3.47Å
120K89.1Confident89.1Confident131 Ų13195.4 Ų95.457%0.5751%0.51SS*.Hα-helixtrans-66.4-35.4175.8-75173.7-178.2176.60113Q116 E117 H118 K124Q116-K120 WeakPolarHBondContact O-CB 3.38Å; Q116-K120 VanDerWaalsContact O-CG 3.25Å; Q116-K120 WeakPolarHBondContact O-CG 3.48Å; Q116-K120 PolarHBondContact O-N 2.93Å; E117-K120 PolarHBondContact O-N 2.91Å; H118-K120 VanDerWaalsContact C-N 3.31Å; H118-K120 PolarHBondContact O-N 3.43Å; K120-K124 WeakPolarHBondContact O-CG 3.34Å; K120-K124 PolarHBondContact O-N 2.92Å
121A86.9Confident88.6Confident60 Ų60100 Ų10050%0.49654%0.535SS..Hα-helixtrans-69.6-43.1175.900000111.2E117 H118 L123 K124 A125E117-A121 WeakPolarHBondContact O-CB 3.34Å; E117-A121 PolarHBondContact O-N 2.96Å; H118-A121 PolarHBondContact O-N 3.18Å; A121-L123 VanDerWaalsContact C-N 3.34Å; A121-L123 PolarHBondContact O-N 3.19Å; A121-K124 PolarHBondContact O-N 3.44Å; A121-A125 PolarHBondContact O-N 3.39Å
122A87.2Confident88.2Confident70 Ų7099.8 Ų99.858%0.57954%0.539SS*.Hα-helixtrans-64.7-33.3177.700000113.5H118 T119 K124H118-A122 WeakPolarHBondContact O-CB 3.31Å; H118-A122 PolarHBondContact O-N 3.05Å; T119-A122 PolarHBondContact O-N 3.29Å; A122-K124 VanDerWaalsContact C-N 3.32Å
123L86.4Confident87.6Confident142 Ų14298.9 Ų98.974%0.74354%0.541SS*.THydrogen-bonded Turntrans-76.1-16.3175.8-71.9170.8000114T119 A121T119-L123 HydrophobicContact CG2-CD1 4.11Å; T119-L123 VanDerWaalsContact O-CG 3.31Å; T119-L123 WeakPolarHBondContact O-CG 3.25Å; T119-L123 PolarHBondContact O-N 3.47Å; A121-L123 VanDerWaalsContact C-N 3.34Å; A121-L123 PolarHBondContact O-N 3.19Å
124K81.9Confident87.2Confident188 Ų18899 Ų9982%0.81755%0.55SS**THydrogen-bonded Turntrans-97.8-11.6-180-75.5-177.5178.9-170.40113.5K120 A121 A122K120-K124 WeakPolarHBondContact O-CG 3.34Å; K120-K124 PolarHBondContact O-N 2.92Å; A121-K124 PolarHBondContact O-N 3.44Å; A122-K124 VanDerWaalsContact C-N 3.32Å
125A70.6Confident86.7Confident142 Ų142107 Ų107100%1.17460%0.595SS**  trans-90.20173.700000109.5A121A121-A125 PolarHBondContact O-N 3.39Å

Retrieved 125 of 125 residues in 40.3 ms (Link to these results)

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