A0A3Q0KGZ8_SCHMA Loading...

Tafazzin family protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KGZ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 289 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
1M56.9Low77.6Confident152 Ų15270.5 Ų70.575%0.74933%0.331SS*.  0119.50-151.1-167.3-65.300106.6K9M1-K9 HydrophobicContact SD-CD 4.39Å
2D83.4Confident75.1Confident35 Ų3580.4 Ų80.419%0.18738%0.377CS..  trans-64.2154.1-177.4-173.924.4000111.7V4 Y5 K6 W123 P144D2-V4 VanDerWaalsContact C-N 3.25Å; D2-V4 HydrophobicContact CB-CG1 4.42Å; D2-V4 PolarHBondContact O-N 3.01Å; D2-Y5 HydrophobicContact CB-CD2 4.45Å; D2-Y5 PolarHBondContact O-N 3.22Å; D2-K6 PolarHBondContact O-N 2.89Å; D2-W123 PolarHBondContact OD1-NE1 2.92Å; D2-W123 VanDerWaalsContact OD1-NE1 3.09Å; D2-P144 HydrophobicContact CB-CB 3.8Å; D2-P144 HydrophobicContact CB-CG 3.67Å; D2-P144 WeakPolarHBondContact OD2-CB 3.35Å; D2-P144 VanDerWaalsContact OD2-CD 3.26Å; D2-P144 WeakPolarHBondContact OD2-CD 3.32Å; D2-P144 WeakPolarHBondContact OD2-CG 3.44Å
3L91.8Very high73Confident38 Ų3884.8 Ų84.820%0.19941%0.413CS..Hα-helixtrans-54.2-41.3-173.8179.959.5000111.8Y5 K6 L7 V101 Y105 P121 W123L3-Y5 PolarHBondContact O-N 3.38Å; L3-K6 PolarHBondContact O-N 3.5Å; L3-L7 HydrophobicContact CD1-CD1 4.15Å; L3-L7 HydrophobicContact CD1-CG 4.09Å; L3-L7 HydrophobicContact CG-CD1 4.09Å; L3-L7 HydrophobicContact CG-CG 4.43Å; L3-L7 WeakPolarHBondContact O-CB 3.2Å; L3-L7 VanDerWaalsContact O-CG 3.28Å; L3-L7 WeakPolarHBondContact O-CG 3.26Å; L3-L7 PolarHBondContact O-N 3.23Å; L3-V101 HydrophobicContact CD2-CG1 4.21Å; L3-V101 HydrophobicContact CD2-CG2 4.13Å; L3-Y105 HydrophobicContact CD2-CD1 4.17Å; L3-Y105 HydrophobicContact CD2-CG 4.11Å; L3-P121 HydrophobicContact CB-CG 4.26Å; L3-P121 HydrophobicContact CD2-CB 3.72Å; L3-P121 HydrophobicContact CD2-CG 4.17Å; L3-P121 HydrophobicContact CG-CB 4.08Å; L3-P121 HydrophobicContact CG-CG 3.95Å; L3-W123 HydrophobicContact CB-CZ2 4.42Å
4V93.4Very high72Confident0 Ų080.7 Ų80.70%040%0.397CS..Hα-helixtrans-57.2-49.7176.366.80000111.5D2 L7 Y8 V120 P121 P144 F148D2-V4 VanDerWaalsContact C-N 3.25Å; D2-V4 HydrophobicContact CB-CG1 4.42Å; D2-V4 PolarHBondContact O-N 3.01Å; V4-L7 PolarHBondContact O-N 3.45Å; V4-Y8 HydrophobicContact CG2-CD2 3.91Å; V4-Y8 HydrophobicContact CG2-CE2 4.37Å; V4-Y8 WeakPolarHBondContact O-CB 3.43Å; V4-Y8 WeakPolarHBondContact O-CD2 3.44Å; V4-Y8 PolarHBondContact O-N 2.89Å; V4-V120 HydrophobicContact CG2-CG1 4Å; V4-P121 HydrophobicContact CB-CG 3.83Å; V4-P121 HydrophobicContact CG2-CG 4.42Å; V4-P144 HydrophobicContact CG1-CB 4.28Å; V4-F148 HydrophobicContact CG1-CB 4.4Å; V4-F148 HydrophobicContact CG2-CB 3.65Å; V4-F148 HydrophobicContact CG2-CD1 3.59Å; V4-F148 HydrophobicContact CG2-CD2 3.96Å; V4-F148 HydrophobicContact CG2-CE1 4.19Å; V4-F148 HydrophobicContact CG2-CG 3.45Å; V4-F148 VanDerWaalsContact CG2-CG 3.45Å
5Y89.2Confident72Confident58 Ų5883.3 Ų83.323%0.22740%0.402CS..Hα-helixtrans-71.9-32.7179-69.2-66.9000111.4D2 L3 L7 Y8 K9 P144 F148D2-Y5 HydrophobicContact CB-CD2 4.45Å; D2-Y5 PolarHBondContact O-N 3.22Å; L3-Y5 PolarHBondContact O-N 3.38Å; Y5-L7 VanDerWaalsContact C-N 3.28Å; Y5-L7 PolarHBondContact O-N 3.36Å; Y5-Y8 PolarHBondContact O-N 3.17Å; Y5-K9 HydrophobicContact CD1-CB 4.37Å; Y5-K9 HydrophobicContact CD1-CD 4.25Å; Y5-K9 WeakPolarHBondContact O-CA 3.35Å; Y5-K9 WeakPolarHBondContact O-CB 3.27Å; Y5-K9 PolarHBondContact O-N 3.04Å; Y5-P144 HydrophobicContact CD2-CB 4.02Å; Y5-P144 HydrophobicContact CE2-CB 3.62Å; Y5-F148 HydrophobicContact CE1-CD2 4.29Å
6K89Confident72.4Confident142 Ų14285.4 Ų85.462%0.61742%0.415SS*.Hα-helixtrans-60.7-39.8172.7-174.3177.5173.9-179.40111.7D2 L3D2-K6 PolarHBondContact O-N 2.89Å; L3-K6 PolarHBondContact O-N 3.5Å
7L89.4Confident73Confident23 Ų2384.4 Ų84.412%0.1242%0.416CS..Hα-helixtrans-73.4-41.9177.7-68.3173.5000112.2L3 V4 Y5 Y105 T111 F115 P121L3-L7 HydrophobicContact CD1-CD1 4.15Å; L3-L7 HydrophobicContact CD1-CG 4.09Å; L3-L7 HydrophobicContact CG-CD1 4.09Å; L3-L7 HydrophobicContact CG-CG 4.43Å; L3-L7 WeakPolarHBondContact O-CB 3.2Å; L3-L7 VanDerWaalsContact O-CG 3.28Å; L3-L7 WeakPolarHBondContact O-CG 3.26Å; L3-L7 PolarHBondContact O-N 3.23Å; V4-L7 PolarHBondContact O-N 3.45Å; Y5-L7 VanDerWaalsContact C-N 3.28Å; Y5-L7 PolarHBondContact O-N 3.36Å; L7-Y105 HydrophobicContact CD1-CD1 4.16Å; L7-Y105 HydrophobicContact CD1-CE1 3.63Å; L7-T111 HydrophobicContact CD2-CG2 3.75Å; L7-F115 HydrophobicContact CB-CD2 3.93Å; L7-F115 HydrophobicContact CB-CE2 4.23Å; L7-F115 WeakPolarHBondContact O-CE2 3.49Å; L7-P121 HydrophobicContact CD1-CG 4.13Å
8Y88.1Confident73.7Confident20 Ų2082.3 Ų82.38%0.07840%0.403CS..Hα-helixtrans-106.6-20.6-168-65.1-71.2000116.1V4 Y5 W96 F115 G119 F148V4-Y8 HydrophobicContact CG2-CD2 3.91Å; V4-Y8 HydrophobicContact CG2-CE2 4.37Å; V4-Y8 WeakPolarHBondContact O-CB 3.43Å; V4-Y8 WeakPolarHBondContact O-CD2 3.44Å; V4-Y8 PolarHBondContact O-N 2.89Å; Y5-Y8 PolarHBondContact O-N 3.17Å; Y8-W96 HydrophobicContact CD1-CH2 4.07Å; Y8-W96 HydrophobicContact CD1-CZ3 4.1Å; Y8-W96 AromaticContact CE1-CH2 3.67Å; Y8-W96 HydrophobicContact CE1-CH2 3.67Å; Y8-W96 AromaticContact CE1-CZ3 3.4Å; Y8-W96 HydrophobicContact CE1-CZ3 3.4Å; Y8-W96 VanDerWaalsContact CE1-CZ3 3.4Å; Y8-W96 HydrophobicContact CE2-CZ3 4.25Å; Y8-W96 AromaticContact CZ-CZ3 3.51Å; Y8-F115 AromaticContact CD1-CD2 3.97Å; Y8-F115 HydrophobicContact CD1-CD2 3.97Å; Y8-F115 AromaticContact CD1-CE2 3.46Å; Y8-F115 HydrophobicContact CD1-CE2 3.46Å; Y8-F115 VanDerWaalsContact CD1-CE2 3.46Å; Y8-F115 AromaticContact CE1-CD2 3.33Å; Y8-F115 HydrophobicContact CE1-CD2 3.33Å; Y8-F115 AromaticContact CE1-CE2 3.26Å; Y8-F115 HydrophobicContact CE1-CE2 3.26Å; Y8-F115 HydrophobicContact CE1-CZ 4.42Å; Y8-F115 HydrophobicContact CE2-CD2 4.28Å; Y8-F115 HydrophobicContact CG-CE2 4.24Å; Y8-F115 AromaticContact CZ-CD2 3.51Å; Y8-F115 AromaticContact CZ-CE2 3.93Å; Y8-F115 PolarHBondContact OH-O 3.32Å; Y8-G119 PolarHBondContact OH-O 2.94Å; Y8-F148 HydrophobicContact CD1-CZ 4.15Å; Y8-F148 AromaticContact CD2-CE1 3.98Å; Y8-F148 HydrophobicContact CD2-CE1 3.98Å; Y8-F148 HydrophobicContact CD2-CE2 4.2Å; Y8-F148 AromaticContact CD2-CZ 3.7Å; Y8-F148 HydrophobicContact CD2-CZ 3.7Å; Y8-F148 HydrophobicContact CE2-CE1 4.27Å; Y8-F148 HydrophobicContact CE2-CZ 4.35Å; Y8-F148 HydrophobicContact CG-CE1 4.33Å; Y8-F148 HydrophobicContact CG-CE2 4.03Å; Y8-F148 AromaticContact CG-CZ 3.61Å; Y8-F148 HydrophobicContact CG-CZ 3.61Å
9K66.7Low74.3Confident136 Ų13682.2 Ų82.259%0.59140%0.4SS*.THydrogen-bonded Turntrans-87.2-35.6-172.8-164.2177.6179.6173.90114.1M1 Y5 Q11M1-K9 HydrophobicContact SD-CD 4.39Å; Y5-K9 HydrophobicContact CD1-CB 4.37Å; Y5-K9 HydrophobicContact CD1-CD 4.25Å; Y5-K9 WeakPolarHBondContact O-CA 3.35Å; Y5-K9 WeakPolarHBondContact O-CB 3.27Å; Y5-K9 PolarHBondContact O-N 3.04Å; K9-Q11 VanDerWaalsContact C-N 3.34Å; K9-Q11 PolarHBondContact O-N 2.61Å
10N53.7Low75Confident99 Ų9982.6 Ų82.653%0.52940%0.403SS..SBendtrans-90.721.2-169.3-79.5-1.3000115.1
11Q52.5Low75.8Confident72 Ų7281.6 Ų81.634%0.33640%0.4SS..  trans-136.434.4-169.6-72.7-161.2-3.500114.7K9 T13 S14 Y15K9-Q11 VanDerWaalsContact C-N 3.34Å; K9-Q11 PolarHBondContact O-N 2.61Å; Q11-T13 PolarHBondContact O-N 3.38Å; Q11-S14 PolarHBondContact O-N 3.24Å; Q11-S14 VanDerWaalsContact O-N 3.09Å; Q11-S14 PolarHBondContact OE1-OG 3Å; Q11-Y15 PolarHBondContact O-N 3.48Å
12E47.5Very low77.5Confident190 Ų19074.7 Ų74.789%0.88837%0.366SS*.G310 helixtrans-56.1-28.7160.1-72.7-165.1157.600111.3S14E12-S14 PolarHBondContact O-N 3.15Å
13T47.3Very low77.9Confident138 Ų13874.6 Ų74.685%0.84737%0.368SS*.G310 helixtrans-68.8-10.9174.949.30000115Q11Q11-T13 PolarHBondContact O-N 3.38Å
14S59.4Low78Confident27 Ų2777.8 Ų77.819%0.18938%0.384CS..G310 helixtrans-134.130.8179.378.30000114.1Q11 E12 L16 P17 R18Q11-S14 PolarHBondContact O-N 3.24Å; Q11-S14 VanDerWaalsContact O-N 3.09Å; Q11-S14 PolarHBondContact OE1-OG 3Å; E12-S14 PolarHBondContact O-N 3.15Å; S14-L16 PolarHBondContact O-N 3.43Å; S14-L16 VanDerWaalsContact O-N 3.14Å; S14-P17 VanDerWaalsContact O-CD 3.29Å; S14-P17 WeakPolarHBondContact O-CD 3.33Å; S14-R18 WeakPolarHBondContact O-CB 3.11Å; S14-R18 PolarHBondContact O-N 3.32Å
15Y71.6Confident78.1Confident120 Ų12078.7 Ų78.747%0.47139%0.39SS..Hα-helixtrans-50.4-41.5178-176.2-102.2000113.4Q11 R18 K19Q11-Y15 PolarHBondContact O-N 3.48Å; Y15-R18 VanDerWaalsContact CD2-NH2 3.26Å; Y15-K19 HydrophobicContact CD1-CD 4.04Å; Y15-K19 HydrophobicContact CE1-CD 3.47Å; Y15-K19 VanDerWaalsContact CE1-CD 3.47Å; Y15-K19 HydrophobicContact CE1-CG 4.28Å; Y15-K19 VanDerWaalsContact CZ-NZ 3.27Å; Y15-K19 PolarHBondContact O-N 2.71Å; Y15-K19 WeakPolarHBondContact OH-CE 3.04Å; Y15-K19 PolarHBondContact OH-NZ 3.49Å
16L77.9Confident78.3Confident117 Ų11776 Ų7661%0.61338%0.379SS*.Hα-helixtrans-70.8-53.9-178.1-177.267.7000112.7S14 R18 K19 I20S14-L16 PolarHBondContact O-N 3.43Å; S14-L16 VanDerWaalsContact O-N 3.14Å; L16-R18 PolarHBondContact O-N 2.83Å; L16-K19 PolarHBondContact O-N 3.08Å; L16-K19 VanDerWaalsContact O-N 3.15Å; L16-I20 HydrophobicContact CD1-CD1 4.25Å; L16-I20 HydrophobicContact CG-CD1 4.05Å; L16-I20 WeakPolarHBondContact O-CG1 3.43Å; L16-I20 PolarHBondContact O-N 3.23Å
17P83.9Confident78.5Confident67 Ų6771.2 Ų71.244%0.43536%0.364SS..Hα-helixtrans-51.1-42.8171.6-29.132.1000113.4S14 I20 L21S14-P17 VanDerWaalsContact O-CD 3.29Å; S14-P17 WeakPolarHBondContact O-CD 3.33Å; P17-I20 PolarHBondContact O-N 3.05Å; P17-L21 WeakPolarHBondContact O-CB 3.46Å; P17-L21 WeakPolarHBondContact O-CG 3.31Å; P17-L21 PolarHBondContact O-N 2.82Å
18R84.5Confident78.8Confident48 Ų4876.9 Ų76.918%0.18139%0.388CS..Hα-helixtrans-61.5-49.9178-176.9-178.868.5-1691.3111.4S14 Y15 L16 I20 L21 Q22 F115S14-R18 WeakPolarHBondContact O-CB 3.11Å; S14-R18 PolarHBondContact O-N 3.32Å; Y15-R18 VanDerWaalsContact CD2-NH2 3.26Å; L16-R18 PolarHBondContact O-N 2.83Å; R18-I20 VanDerWaalsContact C-N 3.26Å; R18-I20 PolarHBondContact O-N 2.74Å; R18-L21 PolarHBondContact O-N 2.99Å; R18-Q22 HydrophobicContact CG-CG 3.96Å; R18-Q22 VanDerWaalsContact O-CB 3.28Å; R18-Q22 WeakPolarHBondContact O-CB 3.4Å; R18-Q22 WeakPolarHBondContact O-CG 3.37Å; R18-Q22 PolarHBondContact O-N 3.01Å; R18-F115 HydrophobicContact CG-CE1 4.41Å; R18-F115 HydrophobicContact CG-CZ 4.17Å
19K84.9Confident79.1Confident80 Ų8077.6 Ų77.635%0.34839%0.392SS..Hα-helixtrans-57.2-41.7178.4-87.7-172.6162.11770112.3Y15 L16 S23Y15-K19 HydrophobicContact CD1-CD 4.04Å; Y15-K19 HydrophobicContact CE1-CD 3.47Å; Y15-K19 VanDerWaalsContact CE1-CD 3.47Å; Y15-K19 HydrophobicContact CE1-CG 4.28Å; Y15-K19 VanDerWaalsContact CZ-NZ 3.27Å; Y15-K19 PolarHBondContact O-N 2.71Å; Y15-K19 WeakPolarHBondContact OH-CE 3.04Å; Y15-K19 PolarHBondContact OH-NZ 3.49Å; L16-K19 PolarHBondContact O-N 3.08Å; L16-K19 VanDerWaalsContact O-N 3.15Å; K19-S23 WeakPolarHBondContact O-CB 3.43Å; K19-S23 PolarHBondContact O-N 3.43Å; K19-S23 PolarHBondContact O-OG 2.61Å
20I89.6Confident80.5Confident89 Ų8971.1 Ų71.146%0.45636%0.364SS..Hα-helixtrans-64.8-54.4178.6-65.5167.3000109.8L16 P17 R18 Q22 S23 L24L16-I20 HydrophobicContact CD1-CD1 4.25Å; L16-I20 HydrophobicContact CG-CD1 4.05Å; L16-I20 WeakPolarHBondContact O-CG1 3.43Å; L16-I20 PolarHBondContact O-N 3.23Å; P17-I20 PolarHBondContact O-N 3.05Å; R18-I20 VanDerWaalsContact C-N 3.26Å; R18-I20 PolarHBondContact O-N 2.74Å; I20-Q22 PolarHBondContact O-N 3.23Å; I20-S23 PolarHBondContact O-N 2.84Å; I20-S23 VanDerWaalsContact O-N 3.17Å; I20-L24 HydrophobicContact CG2-CD1 3.89Å; I20-L24 HydrophobicContact CG2-CG 4.4Å; I20-L24 WeakPolarHBondContact O-CG 3.43Å; I20-L24 PolarHBondContact O-N 3.27Å
21L92.3Very high82.5Confident63 Ų6370.3 Ų70.333%0.3336%0.359SS..Hα-helixtrans-62.7-42.6-178.1-69.4169.7000112P17 R18 S23 L24 T25 W116P17-L21 WeakPolarHBondContact O-CB 3.46Å; P17-L21 WeakPolarHBondContact O-CG 3.31Å; P17-L21 PolarHBondContact O-N 2.82Å; R18-L21 PolarHBondContact O-N 2.99Å; L21-S23 VanDerWaalsContact C-N 3.34Å; L21-S23 PolarHBondContact O-N 3.38Å; L21-L24 PolarHBondContact O-N 2.77Å; L21-T25 WeakPolarHBondContact O-CB 3.39Å; L21-T25 PolarHBondContact O-N 3.43Å; L21-T25 PolarHBondContact O-OG1 3.06Å; L21-W116 HydrophobicContact CB-CD2 4.21Å; L21-W116 HydrophobicContact CB-CG 3.98Å; L21-W116 HydrophobicContact CD1-CZ2 3.85Å
22Q92.5Very high84.5Confident7 Ų768.6 Ų68.63%0.03336%0.357CS..Hα-helixtrans-59.6-44.9174.6-69.9-171.1-27.600111.5R18 I20 L24 T25 Y26 V91 W116R18-Q22 HydrophobicContact CG-CG 3.96Å; R18-Q22 VanDerWaalsContact O-CB 3.28Å; R18-Q22 WeakPolarHBondContact O-CB 3.4Å; R18-Q22 WeakPolarHBondContact O-CG 3.37Å; R18-Q22 PolarHBondContact O-N 3.01Å; I20-Q22 PolarHBondContact O-N 3.23Å; Q22-L24 PolarHBondContact O-N 3.46Å; Q22-T25 PolarHBondContact O-N 3.46Å; Q22-Y26 WeakPolarHBondContact O-CB 3.39Å; Q22-Y26 WeakPolarHBondContact O-CD2 3.45Å; Q22-Y26 PolarHBondContact O-N 2.88Å; Q22-V91 HydrophobicContact CB-CG2 3.95Å; Q22-W116 VanDerWaalsContact CA-O 3.3Å; Q22-W116 WeakPolarHBondContact CA-O 3.29Å; Q22-W116 WeakPolarHBondContact CB-O 3.36Å; Q22-W116 VanDerWaalsContact CG-O 3.26Å; Q22-W116 WeakPolarHBondContact CG-O 2.92Å
23S91.9Very high86.9Confident33 Ų3359.6 Ų59.623%0.23132%0.316CS..Hα-helixtrans-64.4-41178.6-56.70000112K19 I20 L21 S27 V91K19-S23 WeakPolarHBondContact O-CB 3.43Å; K19-S23 PolarHBondContact O-N 3.43Å; K19-S23 PolarHBondContact O-OG 2.61Å; I20-S23 PolarHBondContact O-N 2.84Å; I20-S23 VanDerWaalsContact O-N 3.17Å; L21-S23 VanDerWaalsContact C-N 3.34Å; L21-S23 PolarHBondContact O-N 3.38Å; S23-S27 VanDerWaalsContact O-CB 3.25Å; S23-S27 WeakPolarHBondContact O-CB 3.15Å; S23-S27 PolarHBondContact O-N 2.95Å; S23-S27 PolarHBondContact O-OG 3.22Å; S23-V91 WeakPolarHBondContact OG-CG1 3.33Å
24L93.9Very high89.2Confident105 Ų10555.8 Ų55.855%0.5529%0.287SS..Hα-helixtrans-65-47.1176.1-70.3173.9000111.6I20 L21 Q22 Y26 S27 F28I20-L24 HydrophobicContact CG2-CD1 3.89Å; I20-L24 HydrophobicContact CG2-CG 4.4Å; I20-L24 WeakPolarHBondContact O-CG 3.43Å; I20-L24 PolarHBondContact O-N 3.27Å; L21-L24 PolarHBondContact O-N 2.77Å; Q22-L24 PolarHBondContact O-N 3.46Å; L24-Y26 PolarHBondContact O-N 3Å; L24-S27 PolarHBondContact O-N 3.14Å; L24-F28 WeakPolarHBondContact O-CB 3.42Å; L24-F28 PolarHBondContact O-N 2.93Å
25T94.3Very high91Very high18 Ų1858.9 Ų58.911%0.1130%0.301CS..Hα-helixtrans-63.2-42.4178.8-55.90000111.4L21 Q22 M29 F113 W116 F117L21-T25 WeakPolarHBondContact O-CB 3.39Å; L21-T25 PolarHBondContact O-N 3.43Å; L21-T25 PolarHBondContact O-OG1 3.06Å; Q22-T25 PolarHBondContact O-N 3.46Å; T25-M29 VanDerWaalsContact O-CB 3.29Å; T25-M29 WeakPolarHBondContact O-CB 3.1Å; T25-M29 PolarHBondContact O-N 3.21Å; T25-F113 HydrophobicContact CG2-CD2 4.08Å; T25-F113 HydrophobicContact CG2-CE2 3.89Å; T25-W116 HydrophobicContact CG2-CB 4.26Å; T25-W116 WeakPolarHBondContact OG1-CB 2.96Å; T25-F117 HydrophobicContact CG2-CB 3.96Å; T25-F117 HydrophobicContact CG2-CD2 4.03Å; T25-F117 HydrophobicContact CG2-CG 4.42Å
26Y93.5Very high92.2Very high1 Ų153.7 Ų53.70%0.00428%0.283CS..Hα-helixtrans-64.8-42.6174.3-96.8-81.9000113.2Q22 L24 G30 V91 C94 R95 F117 R118Q22-Y26 WeakPolarHBondContact O-CB 3.39Å; Q22-Y26 WeakPolarHBondContact O-CD2 3.45Å; Q22-Y26 PolarHBondContact O-N 2.88Å; L24-Y26 PolarHBondContact O-N 3Å; Y26-G30 WeakPolarHBondContact O-CA 3.22Å; Y26-G30 PolarHBondContact O-N 3.48Å; Y26-V91 HydrophobicContact CD2-CG2 3.48Å; Y26-V91 VanDerWaalsContact CD2-CG2 3.48Å; Y26-V91 HydrophobicContact CE2-CG2 3.96Å; Y26-V91 HydrophobicContact CG-CG2 4.11Å; Y26-C94 HydrophobicContact CD1-CB 3.76Å; Y26-C94 VanDerWaalsContact CD1-SG 3.56Å; Y26-C94 HydrophobicContact CE1-CB 3.45Å; Y26-C94 VanDerWaalsContact CE1-CB 3.45Å; Y26-C94 HydrophobicContact CE2-CB 4.26Å; Y26-C94 HydrophobicContact CG-CB 4.29Å; Y26-R95 PolarHBondContact OH-O 3.34Å; Y26-F117 HydrophobicContact CD1-CD2 4.05Å; Y26-F117 AromaticContact CD1-CE2 3.51Å; Y26-F117 HydrophobicContact CD1-CE2 3.51Å; Y26-F117 HydrophobicContact CD1-CZ 4.24Å; Y26-F117 AromaticContact CD2-CD2 3.89Å; Y26-F117 HydrophobicContact CD2-CD2 3.89Å; Y26-F117 HydrophobicContact CD2-CE2 4.22Å; Y26-F117 AromaticContact CE1-CD2 3.96Å; Y26-F117 HydrophobicContact CE1-CD2 3.96Å; Y26-F117 AromaticContact CE1-CE2 3.46Å; Y26-F117 HydrophobicContact CE1-CE2 3.46Å; Y26-F117 VanDerWaalsContact CE1-CE2 3.46Å; Y26-F117 AromaticContact CE1-CZ 3.83Å; Y26-F117 HydrophobicContact CE1-CZ 3.83Å; Y26-F117 AromaticContact CE2-CD2 3.81Å; Y26-F117 HydrophobicContact CE2-CD2 3.81Å; Y26-F117 HydrophobicContact CE2-CE2 4.19Å; Y26-F117 HydrophobicContact CE2-CG 4.3Å; Y26-F117 HydrophobicContact CG-CD2 4.02Å; Y26-F117 AromaticContact CG-CE2 3.9Å; Y26-F117 HydrophobicContact CG-CE2 3.9Å; Y26-F117 AromaticContact CZ-CD2 3.83Å; Y26-F117 AromaticContact CZ-CE2 3.82Å; Y26-F117 PolarHBondContact OH-O 3.43Å; Y26-R118 HydrophobicContact CE2-CB 4.05Å; Y26-R118 HydrophobicContact CE2-CG 3.85Å
27S93.9Very high93.1Very high42 Ų4248.2 Ų48.229%0.29425%0.254SS..Hα-helixtrans-60.3-50.1176.7-65.10000111.2S23 L24 L31 F88S23-S27 VanDerWaalsContact O-CB 3.25Å; S23-S27 WeakPolarHBondContact O-CB 3.15Å; S23-S27 PolarHBondContact O-N 2.95Å; S23-S27 PolarHBondContact O-OG 3.22Å; L24-S27 PolarHBondContact O-N 3.14Å; S27-L31 WeakPolarHBondContact O-CB 3.47Å; S27-L31 PolarHBondContact O-N 3.47Å; S27-F88 PolarHBondContact OG-O 3.25Å; S27-F88 VanDerWaalsContact OG-O 3.13Å
28F95.2Very high93.7Very high143 Ų14349.4 Ų49.463%0.62726%0.264SS*.Hα-helixtrans-61.1-54.9178.7174.3-102.8000111.8L24 L31 A32L24-F28 WeakPolarHBondContact O-CB 3.42Å; L24-F28 PolarHBondContact O-N 2.93Å; F28-L31 PolarHBondContact O-N 2.79Å; F28-A32 VanDerWaalsContact O-CB 3.28Å; F28-A32 WeakPolarHBondContact O-CB 3.49Å; F28-A32 PolarHBondContact O-N 3.14Å
29M95.2Very high94.3Very high34 Ų3452.8 Ų52.817%0.16728%0.277CS..Hα-helixtrans-71.5-39.1-174-165.763.8-104.100111.9T25 L31 A32 S33 F76 F113 F117T25-M29 VanDerWaalsContact O-CB 3.29Å; T25-M29 WeakPolarHBondContact O-CB 3.1Å; T25-M29 PolarHBondContact O-N 3.21Å; M29-L31 PolarHBondContact O-N 3.18Å; M29-A32 HydrophobicContact CE-CB 3.96Å; M29-A32 PolarHBondContact O-N 3.08Å; M29-S33 VanDerWaalsContact CE-OG 3.32Å; M29-S33 WeakPolarHBondContact CE-OG 3.28Å; M29-S33 WeakPolarHBondContact O-CB 3.22Å; M29-S33 PolarHBondContact O-N 2.92Å; M29-S33 PolarHBondContact O-OG 2.96Å; M29-S33 VanDerWaalsContact O-OG 3.11Å; M29-F76 HydrophobicContact CE-CB 4.32Å; M29-F76 HydrophobicContact CG-CB 4.43Å; M29-F76 HydrophobicContact CG-CD1 3.51Å; M29-F76 HydrophobicContact CG-CE1 4.13Å; M29-F76 HydrophobicContact CG-CG 4.25Å; M29-F76 HydrophobicContact SD-CD1 4.06Å; M29-F76 HydrophobicContact SD-CG 4.42Å; M29-F113 HydrophobicContact CG-CZ 4.49Å; M29-F113 HydrophobicContact SD-CZ 4.33Å; M29-F117 HydrophobicContact CB-CD2 4.25Å; M29-F117 HydrophobicContact CB-CE2 3.74Å; M29-F117 HydrophobicContact CB-CZ 4.24Å; M29-F117 HydrophobicContact CG-CE2 4.01Å; M29-F117 HydrophobicContact CG-CZ 4.01Å
30G94.6Very high94.9Very high1 Ų149.7 Ų49.71%0.0126%0.263CS..Hα-helixtrans-60.3-45.5174.400000112Y26 K34 F88Y26-G30 WeakPolarHBondContact O-CA 3.22Å; Y26-G30 PolarHBondContact O-N 3.48Å; G30-K34 VanDerWaalsContact O-CB 3.3Å; G30-K34 WeakPolarHBondContact O-CB 3.35Å; G30-K34 PolarHBondContact O-N 3.49Å; G30-F88 VanDerWaalsContact C-CZ 3.4Å; G30-F88 VanDerWaalsContact CA-CZ 3.49Å; G30-F88 VanDerWaalsContact O-CE2 3.25Å; G30-F88 WeakPolarHBondContact O-CE2 3.37Å; G30-F88 VanDerWaalsContact O-CZ 3.25Å; G30-F88 WeakPolarHBondContact O-CZ 3.48Å
31L95.7Very high95.2Very high81 Ų8151.8 Ų51.842%0.42427%0.271SS..Hα-helixtrans-66.3-47177.4-177.261.7000111.7S27 F28 M29 S33 K34 I35 L85S27-L31 WeakPolarHBondContact O-CB 3.47Å; S27-L31 PolarHBondContact O-N 3.47Å; F28-L31 PolarHBondContact O-N 2.79Å; M29-L31 PolarHBondContact O-N 3.18Å; L31-S33 PolarHBondContact O-N 3.46Å; L31-K34 PolarHBondContact O-N 3.36Å; L31-I35 HydrophobicContact CD1-CD1 3.89Å; L31-I35 HydrophobicContact CD1-CG1 4.14Å; L31-I35 HydrophobicContact CD2-CD1 4.44Å; L31-I35 HydrophobicContact CG-CD1 3.76Å; L31-I35 HydrophobicContact CG-CG1 4.39Å; L31-I35 WeakPolarHBondContact O-CB 3.46Å; L31-I35 VanDerWaalsContact O-CG1 3.31Å; L31-I35 WeakPolarHBondContact O-CG1 3.35Å; L31-I35 PolarHBondContact O-N 2.96Å; L31-L85 HydrophobicContact CD1-CD2 3.88Å
32A96.2Very high95.5Very high36 Ų3651.7 Ų51.730%0.29827%0.271SS..Hα-helixtrans-59.8-45.9178.700000111.6F28 M29 K34 I35 A36F28-A32 VanDerWaalsContact O-CB 3.28Å; F28-A32 WeakPolarHBondContact O-CB 3.49Å; F28-A32 PolarHBondContact O-N 3.14Å; M29-A32 HydrophobicContact CE-CB 3.96Å; M29-A32 PolarHBondContact O-N 3.08Å; A32-K34 PolarHBondContact O-N 3.02Å; A32-I35 PolarHBondContact O-N 3.38Å; A32-A36 WeakPolarHBondContact O-CB 3.47Å; A32-A36 PolarHBondContact O-N 3.25Å
33S96.5Very high95.7Very high2 Ų254.6 Ų54.61%0.01429%0.287CS..Hα-helixtrans-61.9-42.7174.2-680000112.3M29 L31 A36 L37 F76M29-S33 VanDerWaalsContact CE-OG 3.32Å; M29-S33 WeakPolarHBondContact CE-OG 3.28Å; M29-S33 WeakPolarHBondContact O-CB 3.22Å; M29-S33 PolarHBondContact O-N 2.92Å; M29-S33 PolarHBondContact O-OG 2.96Å; M29-S33 VanDerWaalsContact O-OG 3.11Å; L31-S33 PolarHBondContact O-N 3.46Å; S33-A36 PolarHBondContact O-N 2.87Å; S33-L37 WeakPolarHBondContact O-CB 3.32Å; S33-L37 VanDerWaalsContact O-CG 3.27Å; S33-L37 WeakPolarHBondContact O-CG 3.4Å; S33-L37 PolarHBondContact O-N 2.86Å; S33-F76 WeakPolarHBondContact CB-O 3.19Å; S33-F76 PolarHBondContact OG-O 2.99Å
34K96.4Very high96Very high58 Ų5854.6 Ų54.625%0.25229%0.285SS..Hα-helixtrans-66.4-39.4179.7-174172.5-74.2-66.80111.9G30 L31 A32 L37 S38 G80 L83 L85 F88G30-K34 VanDerWaalsContact O-CB 3.3Å; G30-K34 WeakPolarHBondContact O-CB 3.35Å; G30-K34 PolarHBondContact O-N 3.49Å; L31-K34 PolarHBondContact O-N 3.36Å; A32-K34 PolarHBondContact O-N 3.02Å; K34-L37 PolarHBondContact O-N 2.72Å; K34-S38 WeakPolarHBondContact O-CB 3.29Å; K34-S38 PolarHBondContact O-N 2.96Å; K34-G80 WeakPolarHBondContact CE-O 3.25Å; K34-G80 PolarHBondContact NZ-O 3.15Å; K34-L83 WeakPolarHBondContact CE-O 2.91Å; K34-L83 PolarHBondContact NZ-O 3.23Å; K34-L85 HydrophobicContact CD-CD2 3.91Å; K34-L85 HydrophobicContact CD-CG 4.28Å; K34-F88 HydrophobicContact CB-CE2 4.31Å; K34-F88 HydrophobicContact CB-CZ 4.48Å; K34-F88 HydrophobicContact CD-CE2 4.28Å
35I96.4Very high96.2Very high92 Ų9251.2 Ų51.247%0.47227%0.269SS..Hα-helixtrans-67.2-41.9174.2-68.5170.3000111L31 A32 L37 S38L31-I35 HydrophobicContact CD1-CD1 3.89Å; L31-I35 HydrophobicContact CD1-CG1 4.14Å; L31-I35 HydrophobicContact CD2-CD1 4.44Å; L31-I35 HydrophobicContact CG-CD1 3.76Å; L31-I35 HydrophobicContact CG-CG1 4.39Å; L31-I35 WeakPolarHBondContact O-CB 3.46Å; L31-I35 VanDerWaalsContact O-CG1 3.31Å; L31-I35 WeakPolarHBondContact O-CG1 3.35Å; L31-I35 PolarHBondContact O-N 2.96Å; A32-I35 PolarHBondContact O-N 3.38Å; I35-L37 VanDerWaalsContact C-N 3.31Å; I35-L37 PolarHBondContact O-N 2.8Å; I35-S38 PolarHBondContact O-N 3Å; I35-S38 PolarHBondContact O-OG 3.43Å
36A96.7Very high96.3Very high11 Ų1150.9 Ų50.99%0.09127%0.269CS..Hα-helixtrans-58.6-47.1175.500000110.6A32 S33 R39 H40 F77 I224A32-A36 WeakPolarHBondContact O-CB 3.47Å; A32-A36 PolarHBondContact O-N 3.25Å; S33-A36 PolarHBondContact O-N 2.87Å; A36-R39 PolarHBondContact O-N 3.46Å; A36-H40 PolarHBondContact O-CD2 3.35Å; A36-F77 HydrophobicContact CB-CE1 4.29Å; A36-I224 HydrophobicContact CB-CG2 3.67Å
37L97.5Very high96.4Very high2 Ų252.8 Ų52.81%0.0128%0.282CS..Hα-helixtrans-71.6-27.5-179.5-68.9169.4000114S33 K34 I35 R39 H40 L42 F77 L206 L209 V231S33-L37 WeakPolarHBondContact O-CB 3.32Å; S33-L37 VanDerWaalsContact O-CG 3.27Å; S33-L37 WeakPolarHBondContact O-CG 3.4Å; S33-L37 PolarHBondContact O-N 2.86Å; K34-L37 PolarHBondContact O-N 2.72Å; I35-L37 VanDerWaalsContact C-N 3.31Å; I35-L37 PolarHBondContact O-N 2.8Å; L37-R39 PolarHBondContact O-N 3.01Å; L37-H40 PolarHBondContact O-N 3.18Å; L37-L42 HydrophobicContact CB-CD2 4.31Å; L37-F77 HydrophobicContact CD1-CB 4.24Å; L37-F77 HydrophobicContact CD1-CD1 4.24Å; L37-F77 VanDerWaalsContact CD1-O 3.28Å; L37-F77 WeakPolarHBondContact CD1-O 3.33Å; L37-F77 HydrophobicContact CD2-CD1 4.02Å; L37-F77 HydrophobicContact CD2-CG 4.44Å; L37-F77 HydrophobicContact CG-CD1 4Å; L37-L206 HydrophobicContact CD2-CD2 4Å; L37-L209 HydrophobicContact CD2-CD1 3.89Å; L37-V231 HydrophobicContact CD2-CG1 4.44Å
38S96.1Very high96.6Very high92 Ų9255.5 Ų55.564%0.64329%0.29SS*.Hα-helixtrans-67.9-15178.9710000113.7K34 I35 H40K34-S38 WeakPolarHBondContact O-CB 3.29Å; K34-S38 PolarHBondContact O-N 2.96Å; I35-S38 PolarHBondContact O-N 3Å; I35-S38 PolarHBondContact O-OG 3.43Å; S38-H40 VanDerWaalsContact C-N 3.25Å
39R96.3Very high96.6Very high119 Ų11952 Ų5245%0.44927%0.273SS..THydrogen-bonded Turntrans-80.2-7.3172.1-60.6176.760.978.9-0.5113.2A36 L37 I224 F225 P228A36-R39 PolarHBondContact O-N 3.46Å; L37-R39 PolarHBondContact O-N 3.01Å; R39-I224 PolarHBondContact NE-O 2.9Å; R39-F225 PolarHBondContact NH2-O 2.93Å; R39-P228 WeakPolarHBondContact O-CB 3.48Å
40H97.6Very high96.7Very high14 Ų1450.4 Ų50.47%0.06527%0.265CS..SBendtrans-117.4164.3-174.7-60.8-55.1000110.2A36 L37 S38 L42 L209 I224 R229 V231A36-H40 PolarHBondContact O-CD2 3.35Å; L37-H40 PolarHBondContact O-N 3.18Å; S38-H40 VanDerWaalsContact C-N 3.25Å; H40-L42 VanDerWaalsContact C-N 3.3Å; H40-L42 PolarHBondContact O-N 3.16Å; H40-L209 VanDerWaalsContact CE1-CD2 3.48Å; H40-L209 WeakPolarHBondContact CE1-CD2 3.26Å; H40-L209 VanDerWaalsContact NE2-CD2 3.27Å; H40-L209 WeakPolarHBondContact NE2-CD2 3.4Å; H40-I224 PolarHBondContact CE1-O 2.75Å; H40-I224 PolarHBondContact NE2-O 2.96Å; H40-R229 WeakPolarHBondContact CB-O 3.37Å; H40-R229 PolarHBondContact ND1-N 2.98Å; H40-V231 HydrophobicContact CB-CG2 4.44Å
41Q97.1Very high96.8Very high133 Ų13351.3 Ų51.362%0.62127%0.27SS*.EExtended strand (participates in β ladder)trans-82.781.2176.4-64-179.926.500108.7R229 V231Q41-R229 PolarHBondContact N-O 3.37Å; Q41-V231 PolarHBondContact O-N 2.89Å
42L97.6Very high96.9Very high61 Ų6152.5 Ų52.532%0.31928%0.276SS..EExtended strand (participates in β ladder)trans-82.3117.8179.1177.665.2000110.7L37 H40 V44 V231 V233L37-L42 HydrophobicContact CB-CD2 4.31Å; H40-L42 VanDerWaalsContact C-N 3.3Å; H40-L42 PolarHBondContact O-N 3.16Å; L42-V44 HydrophobicContact CD1-CG2 3.91Å; L42-V44 HydrophobicContact CD2-CG2 3.93Å; L42-V44 HydrophobicContact CG-CG2 3.78Å; L42-V231 CarbonylContact C-O 3.36Å; L42-V231 WeakPolarHBondContact CA-O 3.34Å; L42-V231 HydrophobicContact CD1-CB 4.09Å; L42-V231 HydrophobicContact CD1-CG1 3.7Å; L42-V233 HydrophobicContact CD1-CG2 4.22Å
43N97.4Very high96.9Very high69 Ų6951 Ų5137%0.36926%0.263SS..EExtended strand (participates in β ladder)trans-109.5113.6169.7-176.817.7000109.8V231 T232 V233N43-V231 PolarHBondContact N-O 3.45Å; N43-T232 CarbonylContact O-C 3.55Å; N43-T232 WeakPolarHBondContact O-CA 3.35Å; N43-V233 PolarHBondContact O-N 3.14Å
44V97.9Very high96.9Very high33 Ų3351.4 Ų51.420%0.227%0.265CS..EExtended strand (participates in β ladder)trans-108.8106.7175.7-169.80000109.6L42 L82 V233L42-V44 HydrophobicContact CD1-CG2 3.91Å; L42-V44 HydrophobicContact CD2-CG2 3.93Å; L42-V44 HydrophobicContact CG-CG2 3.78Å; V44-L82 HydrophobicContact CG1-CD2 3.88Å; V44-V233 CarbonylContact C-O 3.15Å; V44-V233 VanDerWaalsContact CA-O 3.31Å; V44-V233 WeakPolarHBondContact CA-O 3.06Å; V44-V233 HydrophobicContact CG1-CB 4.36Å; V44-V233 HydrophobicContact CG2-CB 4.45Å
45V97.8Very high96.8Very high34 Ų3451.4 Ų51.421%0.20627%0.268CS..EExtended strand (participates in β ladder)trans-96.7132-179.1-178.50000109.3V233 L234 V235 K287V45-V233 PolarHBondContact N-O 3.18Å; V45-L234 HydrophobicContact CB-CD1 3.47Å; V45-L234 VanDerWaalsContact CB-CD1 3.47Å; V45-L234 HydrophobicContact CG1-CD1 3.36Å; V45-V235 PolarHBondContact O-N 2.89Å; V45-K287 HydrophobicContact CG1-CD 4.23Å; V45-K287 HydrophobicContact CG2-CD 4.24Å
46G96.9Very high96.8Very high10 Ų1054.8 Ų54.810%0.10328%0.279CS..THydrogen-bonded Turntrans79.716.2-176.800000114.5E48 R49 F50 V235G46-E48 VanDerWaalsContact C-OE2 3.24Å; G46-E48 WeakPolarHBondContact CA-OE1 3.35Å; G46-E48 WeakPolarHBondContact CA-OE2 3.33Å; G46-E48 PolarHBondContact O-N 3.29Å; G46-R49 WeakPolarHBondContact O-CB 3.31Å; G46-R49 PolarHBondContact O-N 3.1Å; G46-F50 PolarHBondContact O-N 3.44Å; G46-V235 WeakPolarHBondContact O-CB 3.46Å
47S96.2Very high96.8Very high41 Ų4156.4 Ų56.429%0.28728%0.283SS..Hα-helixtrans-57.4-34.6-178.869.20000112.9R49 F50 L51S47-R49 VanDerWaalsContact C-N 3.32Å; S47-R49 PolarHBondContact O-N 3.2Å; S47-F50 WeakPolarHBondContact O-CB 3.34Å; S47-F50 PolarHBondContact O-N 2.69Å; S47-L51 WeakPolarHBondContact O-CG 3.27Å; S47-L51 PolarHBondContact O-N 2.78Å
48E96.7Very high96.7Very high99 Ų9959.5 Ų59.546%0.46330%0.303SS..Hα-helixtrans-59.9-41.7179.970.6-64.2154.300112G46 L51 L52G46-E48 VanDerWaalsContact C-OE2 3.24Å; G46-E48 WeakPolarHBondContact CA-OE1 3.35Å; G46-E48 WeakPolarHBondContact CA-OE2 3.33Å; G46-E48 PolarHBondContact O-N 3.29Å; E48-L51 PolarHBondContact O-N 3.01Å; E48-L52 WeakPolarHBondContact O-CB 3.36Å; E48-L52 VanDerWaalsContact O-CG 3.26Å; E48-L52 WeakPolarHBondContact O-CG 3.5Å; E48-L52 PolarHBondContact O-N 3.28Å
49R95.5Very high96.6Very high69 Ų6960.1 Ų60.126%0.2631%0.308SS..Hα-helixtrans-64.4-42.8177.5179.3-175.4-63.2100.621.1111.6G46 S47 L52 A53 V235 G236G46-R49 WeakPolarHBondContact O-CB 3.31Å; G46-R49 PolarHBondContact O-N 3.1Å; S47-R49 VanDerWaalsContact C-N 3.32Å; S47-R49 PolarHBondContact O-N 3.2Å; R49-L52 PolarHBondContact O-N 3.01Å; R49-A53 PolarHBondContact O-N 3.18Å; R49-V235 PolarHBondContact NH1-O 2.95Å; R49-G236 WeakPolarHBondContact CD-O 3.24Å
50F97.1Very high96.5Very high1 Ų158.8 Ų58.80%0.00431%0.309CS..Hα-helixtrans-63-46.9176.7-171.7-94.2000111.4G46 S47 L52 A53 I54 T65 L82 L83 W158 V235G46-F50 PolarHBondContact O-N 3.44Å; S47-F50 WeakPolarHBondContact O-CB 3.34Å; S47-F50 PolarHBondContact O-N 2.69Å; F50-L52 VanDerWaalsContact C-N 3.32Å; F50-L52 PolarHBondContact O-N 3.22Å; F50-A53 WeakPolarHBondContact O-CB 3.19Å; F50-A53 PolarHBondContact O-N 3.03Å; F50-A53 VanDerWaalsContact O-N 3.15Å; F50-I54 HydrophobicContact CD1-CG1 4.01Å; F50-I54 HydrophobicContact CE1-CD1 4.25Å; F50-I54 HydrophobicContact CE1-CG1 3.69Å; F50-I54 HydrophobicContact CZ-CD1 4.29Å; F50-I54 HydrophobicContact CZ-CG1 4.19Å; F50-I54 WeakPolarHBondContact O-CG1 3.35Å; F50-I54 PolarHBondContact O-N 2.9Å; F50-T65 HydrophobicContact CE2-CG2 3.93Å; F50-L82 HydrophobicContact CD1-CB 3.9Å; F50-L82 HydrophobicContact CD2-CD1 4.32Å; F50-L82 HydrophobicContact CE1-CB 3.6Å; F50-L82 HydrophobicContact CE1-CD1 4.35Å; F50-L82 HydrophobicContact CE2-CD1 3.88Å; F50-L82 HydrophobicContact CG-CB 4.5Å; F50-L82 HydrophobicContact CG-CD2 4.5Å; F50-L82 HydrophobicContact CZ-CB 3.95Å; F50-L82 HydrophobicContact CZ-CD1 3.87Å; F50-L82 HydrophobicContact CZ-CG 4.5Å; F50-L83 HydrophobicContact CE1-CD2 3.94Å; F50-W158 HydrophobicContact CE1-CH2 4.14Å; F50-W158 HydrophobicContact CE2-CH2 4.32Å; F50-W158 AromaticContact CE2-CZ2 3.93Å; F50-W158 HydrophobicContact CE2-CZ2 3.93Å; F50-W158 AromaticContact CZ-CH2 3.39Å; F50-W158 HydrophobicContact CZ-CH2 3.39Å; F50-W158 AromaticContact CZ-CZ2 3.45Å; F50-W158 HydrophobicContact CZ-CZ2 3.45Å; F50-W158 VanDerWaalsContact CZ-CZ2 3.45Å; F50-W158 HydrophobicContact CZ-CZ3 4.22Å; F50-V235 HydrophobicContact CB-CG1 3.99Å; F50-V235 HydrophobicContact CB-CG2 4.18Å; F50-V235 HydrophobicContact CD2-CG1 4.38Å
51L97.1Very high96.5Very high21 Ų2160.8 Ų60.811%0.1132%0.319CS..Hα-helixtrans-63.1-39.6179.1-65.1167.7000111.6S47 E48 I54 D55 K84S47-L51 WeakPolarHBondContact O-CG 3.27Å; S47-L51 PolarHBondContact O-N 2.78Å; E48-L51 PolarHBondContact O-N 3.01Å; L51-I54 PolarHBondContact O-N 3.25Å; L51-D55 VanDerWaalsContact O-CB 3.27Å; L51-D55 WeakPolarHBondContact O-CB 3.4Å; L51-D55 PolarHBondContact O-N 2.91Å; L51-K84 HydrophobicContact CD1-CD 4.46Å; L51-K84 VanDerWaalsContact CD1-CE 3.43Å; L51-K84 HydrophobicContact CD2-CD 4.14Å; L51-K84 HydrophobicContact CD2-CG 4.03Å
52L97Very high96.5Very high105 Ų10554.5 Ų54.555%0.5529%0.29SS..Hα-helixtrans-60-44.6172.5-75.4168.1000111.7E48 R49 F50 I54 D55 K56 R57E48-L52 WeakPolarHBondContact O-CB 3.36Å; E48-L52 VanDerWaalsContact O-CG 3.26Å; E48-L52 WeakPolarHBondContact O-CG 3.5Å; E48-L52 PolarHBondContact O-N 3.28Å; R49-L52 PolarHBondContact O-N 3.01Å; F50-L52 VanDerWaalsContact C-N 3.32Å; F50-L52 PolarHBondContact O-N 3.22Å; L52-I54 VanDerWaalsContact C-N 3.29Å; L52-I54 PolarHBondContact O-N 2.83Å; L52-D55 PolarHBondContact O-N 3.39Å; L52-K56 HydrophobicContact CD2-CG 4.14Å; L52-K56 WeakPolarHBondContact O-CA 3.49Å; L52-K56 WeakPolarHBondContact O-CB 3.32Å; L52-K56 PolarHBondContact O-N 3.47Å; L52-R57 PolarHBondContact O-N 3.15Å
53A96.8Very high96.5Very high5 Ų551.6 Ų51.64%0.04127%0.274CS..Hα-helixtrans-61.9-35.1176.200000112.8R49 F50 R57 L63 L197 I199R49-A53 PolarHBondContact O-N 3.18Å; F50-A53 WeakPolarHBondContact O-CB 3.19Å; F50-A53 PolarHBondContact O-N 3.03Å; F50-A53 VanDerWaalsContact O-N 3.15Å; A53-R57 WeakPolarHBondContact O-CB 3.39Å; A53-R57 WeakPolarHBondContact O-CD 3.33Å; A53-R57 WeakPolarHBondContact O-CG 3.3Å; A53-L63 HydrophobicContact CB-CD1 4.35Å; A53-L63 HydrophobicContact CB-CD2 4.43Å; A53-L197 HydrophobicContact CB-CD2 3.59Å; A53-I199 HydrophobicContact CB-CD1 3.56Å
54I96.2Very high96.6Very high10 Ų1048.3 Ų48.35%0.05126%0.257CS..Hα-helixtrans-78-43.4178.4-64.6-62.4000112.1F50 L51 L52 L63 V93 W158F50-I54 HydrophobicContact CD1-CG1 4.01Å; F50-I54 HydrophobicContact CE1-CD1 4.25Å; F50-I54 HydrophobicContact CE1-CG1 3.69Å; F50-I54 HydrophobicContact CZ-CD1 4.29Å; F50-I54 HydrophobicContact CZ-CG1 4.19Å; F50-I54 WeakPolarHBondContact O-CG1 3.35Å; F50-I54 PolarHBondContact O-N 2.9Å; L51-I54 PolarHBondContact O-N 3.25Å; L52-I54 VanDerWaalsContact C-N 3.29Å; L52-I54 PolarHBondContact O-N 2.83Å; I54-L63 HydrophobicContact CD1-CD2 3.55Å; I54-V93 HydrophobicContact CG2-CB 3.98Å; I54-V93 HydrophobicContact CG2-CG2 3.94Å; I54-W158 HydrophobicContact CD1-CD2 3.83Å; I54-W158 HydrophobicContact CD1-CE3 3.3Å; I54-W158 HydrophobicContact CD1-CH2 4.19Å; I54-W158 HydrophobicContact CD1-CZ3 3.51Å
55D95.4Very high96.6Very high58 Ų5846.8 Ų46.831%0.3125%0.248SC..Hα-helixtrans-88.4-28.6-170.3-71-41.8000114.1L51 L52 R86 H87L51-D55 VanDerWaalsContact O-CB 3.27Å; L51-D55 WeakPolarHBondContact O-CB 3.4Å; L51-D55 PolarHBondContact O-N 2.91Å; L52-D55 PolarHBondContact O-N 3.39Å; D55-R86 IonicContact OD1-CZ 3.61Å; D55-R86 VanDerWaalsContact OD1-CZ 3.31Å; D55-R86 IonicContact OD1-NH1 3.52Å; D55-R86 PolarHBondContact OD1-NH1 3.49Å; D55-R86 IonicContact OD1-NH2 3.43Å; D55-R86 PolarHBondContact OD1-NH2 3.42Å; D55-R86 IonicContact OD2-CZ 3.56Å; D55-R86 IonicContact OD2-NH1 3.44Å; D55-R86 IonicContact OD2-NH2 3.04Å; D55-R86 PolarHBondContact OD2-NH2 3.13Å; D55-H87 IonicContact OD1-CD2 2.61Å; D55-H87 IonicContact OD1-NE2 3.54Å; D55-H87 PolarHBondContact OD1-NE2 3.01Å
56K96.1Very high96.6Very high163 Ų16345.2 Ų45.271%0.70924%0.238SC*.Hα-helixtrans-127-10.2-162.9-59.1-60.2-175.6-175.60115.2L52L52-K56 HydrophobicContact CD2-CG 4.14Å; L52-K56 WeakPolarHBondContact O-CA 3.49Å; L52-K56 WeakPolarHBondContact O-CB 3.32Å; L52-K56 PolarHBondContact O-N 3.47Å
57R95.8Very high96.7Very high46 Ų4644.7 Ų44.717%0.17423%0.233CC..SBendtrans-59.5148.517672.3176.7171.968.9-2.7110.5L52 A53 Q61 G156L52-R57 PolarHBondContact O-N 3.15Å; A53-R57 WeakPolarHBondContact O-CB 3.39Å; A53-R57 WeakPolarHBondContact O-CD 3.33Å; A53-R57 WeakPolarHBondContact O-CG 3.3Å; R57-Q61 PolarHBondContact NH1-O 3.12Å; R57-G156 PolarHBondContact NH1-O 2.83Å; R57-G156 PolarHBondContact NH2-O 3.46Å
58P96.2Very high96.8Very high67 Ų6742.8 Ų42.844%0.43522%0.219SC..  trans-52.4141.8169.2-24.834.2000111.6N60 Q61P58-N60 WeakPolarHBondContact CB-OD1 3.44Å; P58-N60 PolarHBondContact O-N 3.46Å; P58-Q61 HydrophobicContact CB-CB 4.07Å; P58-Q61 HydrophobicContact CG-CB 4.35Å; P58-Q61 PolarHBondContact O-N 3.21Å
59S93.6Very high96.8Very high105 Ų10539.5 Ų39.573%0.73420%0.204SC*.THydrogen-bonded Turntrans-63.7-28.2-175.1560000113.2G156S59-G156 WeakPolarHBondContact O-CA 3.39Å
60N94.9Very high96.9Very high90 Ų9036.4 Ų36.448%0.48119%0.192SC..THydrogen-bonded Turntrans-85.6-12.6175.866.8-35.3000113.4P58 P62P58-N60 WeakPolarHBondContact CB-OD1 3.44Å; P58-N60 PolarHBondContact O-N 3.46Å; N60-P62 WeakPolarHBondContact O-CD 3.05Å
61Q96.4Very high96.8Very high57 Ų5736.4 Ų36.427%0.26619%0.192SC..SBendtrans-79.4120.5179.6-170.117229.800110.1R57 P58 D195R57-Q61 PolarHBondContact NH1-O 3.12Å; P58-Q61 HydrophobicContact CB-CB 4.07Å; P58-Q61 HydrophobicContact CG-CB 4.35Å; P58-Q61 PolarHBondContact O-N 3.21Å; Q61-D195 PolarHBondContact NE2-O 2.8Å
62P97.4Very high96.7Very high1 Ų138.6 Ų38.61%0.00621%0.209CC..  trans-67.6149.4176.7-5.817.1000111N60 L153 E194 P196 L197N60-P62 WeakPolarHBondContact O-CD 3.05Å; P62-L153 HydrophobicContact CB-CB 3.92Å; P62-L153 HydrophobicContact CB-CD2 3.7Å; P62-L153 HydrophobicContact CB-CG 4.42Å; P62-L153 WeakPolarHBondContact CB-O 3.31Å; P62-L153 HydrophobicContact CG-CB 4.48Å; P62-L153 VanDerWaalsContact CG-O 3.31Å; P62-L153 WeakPolarHBondContact CG-O 3.33Å; P62-E194 HydrophobicContact CG-CB 4.26Å; P62-P196 HydrophobicContact CB-CB 3.95Å; P62-P196 HydrophobicContact CG-CB 4.21Å; P62-P196 WeakPolarHBondContact O-CA 3.45Å; P62-L197 PolarHBondContact O-N 2.73Å
63L98.3Very high96.7Very high0 Ų036 Ų360%020%0.195CC..EExtended strand (participates in β ladder)trans-117.4126171.5173.760.6000108.9A53 I54 T65 Q157 W158 V159 L197 I199A53-L63 HydrophobicContact CB-CD1 4.35Å; A53-L63 HydrophobicContact CB-CD2 4.43Å; I54-L63 HydrophobicContact CD1-CD2 3.55Å; L63-T65 HydrophobicContact CD1-CG2 4.22Å; L63-T65 HydrophobicContact CG-CG2 4.36Å; L63-Q157 PolarHBondContact N-O 3.28Å; L63-W158 HydrophobicContact CB-CB 4.05Å; L63-W158 HydrophobicContact CB-CG 4.18Å; L63-W158 HydrophobicContact CD2-CB 4.05Å; L63-W158 HydrophobicContact CD2-CD2 3.9Å; L63-W158 HydrophobicContact CD2-CG 3.61Å; L63-W158 HydrophobicContact CG-CB 4.23Å; L63-W158 VanDerWaalsContact CG-CD1 3.49Å; L63-W158 HydrophobicContact CG-CG 3.83Å; L63-W158 CarbonylContact O-C 3.56Å; L63-W158 VanDerWaalsContact O-CA 3.27Å; L63-W158 WeakPolarHBondContact O-CA 3.27Å; L63-V159 PolarHBondContact O-N 3.13Å; L63-L197 HydrophobicContact CD1-CB 4.21Å; L63-L197 HydrophobicContact CD1-CD2 4.23Å; L63-L197 HydrophobicContact CD1-CG 4.3Å; L63-L197 WeakPolarHBondContact CD1-O 3.49Å; L63-I199 HydrophobicContact CD1-CD1 4.01Å; L63-I199 HydrophobicContact CD1-CG1 4.41Å
64I98.6Very high96.7Very high0 Ų035.7 Ų35.70%019%0.193CC..EExtended strand (participates in β ladder)trans-116128.2170.6-59.6172.2000107.7L153 V159 I185 L188 I189 P196 L197 V198 I199I64-L153 HydrophobicContact CD1-CD1 3.83Å; I64-L153 HydrophobicContact CD1-CD2 4.18Å; I64-L153 HydrophobicContact CG1-CD1 4.04Å; I64-L153 HydrophobicContact CG1-CD2 3.53Å; I64-L153 HydrophobicContact CG1-CG 4.46Å; I64-V159 WeakPolarHBondContact CA-O 3.27Å; I64-I185 HydrophobicContact CG2-CD1 3.54Å; I64-L188 HydrophobicContact CD1-CB 4.04Å; I64-I189 HydrophobicContact CD1-CG1 3.81Å; I64-P196 HydrophobicContact CD1-CB 3.77Å; I64-P196 HydrophobicContact CD1-CG 3.93Å; I64-P196 HydrophobicContact CG1-CB 4.07Å; I64-L197 PolarHBondContact N-O 3.2Å; I64-V198 HydrophobicContact CB-CG1 4.47Å; I64-V198 HydrophobicContact CB-CG2 4.33Å; I64-V198 HydrophobicContact CG2-CG1 4.46Å; I64-V198 CarbonylContact O-C 3.44Å; I64-V198 VanDerWaalsContact O-CA 3.29Å; I64-V198 WeakPolarHBondContact O-CA 3.42Å; I64-I199 PolarHBondContact O-N 2.64Å
65T98.6Very high96.7Very high1 Ų135.7 Ų35.71%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-117142.1169.354.80000109.7F50 L63 W158 V159 H160 V161 I199F50-T65 HydrophobicContact CE2-CG2 3.93Å; L63-T65 HydrophobicContact CD1-CG2 4.22Å; L63-T65 HydrophobicContact CG-CG2 4.36Å; T65-W158 HydrophobicContact CG2-CZ2 4.18Å; T65-W158 PolarHBondContact OG1-NE1 2.7Å; T65-V159 PolarHBondContact N-O 3.04Å; T65-H160 CarbonylContact O-C 3.57Å; T65-H160 WeakPolarHBondContact O-CA 3.25Å; T65-H160 PolarHBondContact O-ND1 3.46Å; T65-H160 WeakPolarHBondContact OG1-CA 3.33Å; T65-H160 WeakPolarHBondContact OG1-CB 3.45Å; T65-H160 PolarHBondContact OG1-ND1 3.34Å; T65-V161 PolarHBondContact O-N 3.12Å; T65-I199 VanDerWaalsContact CA-O 3.27Å; T65-I199 WeakPolarHBondContact CA-O 3.44Å; T65-I199 HydrophobicContact CG2-CB 4.26Å
66I98.5Very high96.8Very high0 Ų033.8 Ų33.80%018%0.182CC..EExtended strand (participates in β ladder)trans-128.8138.1-179.7-179.1161000109.7V161 S163 L181 I185 I199 P200 V201 V273 L277I66-V161 WeakPolarHBondContact CA-O 3.4Å; I66-V161 HydrophobicContact CB-CG2 4.02Å; I66-V161 HydrophobicContact CD1-CG2 4.22Å; I66-V161 HydrophobicContact CG1-CG2 4.06Å; I66-S163 WeakPolarHBondContact CD1-OG 3.32Å; I66-L181 HydrophobicContact CD1-CD1 4.06Å; I66-I185 HydrophobicContact CD1-CG1 3.95Å; I66-I199 PolarHBondContact N-O 2.93Å; I66-I199 VanDerWaalsContact N-O 3.11Å; I66-P200 HydrophobicContact CG2-CB 4.01Å; I66-P200 CarbonylContact O-C 3.56Å; I66-P200 WeakPolarHBondContact O-CA 3.31Å; I66-V201 PolarHBondContact O-N 3.4Å; I66-V273 HydrophobicContact CD1-CG1 3.39Å; I66-V273 HydrophobicContact CG2-CG1 4.16Å; I66-L277 HydrophobicContact CD1-CD2 4.3Å; I66-L277 HydrophobicContact CG1-CD2 4.09Å; I66-L277 HydrophobicContact CG2-CD1 4.49Å
67S98.4Very high96.9Very high0 Ų026.3 Ų26.30%015%0.149CC..EExtended strand (participates in β ladder)trans-140.8163.4174.575.40000115L78 H160 V161 F162 V201S67-L78 WeakPolarHBondContact OG-CD1 3.3Å; S67-H160 PolarHBondContact OG-CE1 3.32Å; S67-H160 PolarHBondContact OG-NE2 3.05Å; S67-V161 PolarHBondContact N-O 3.49Å; S67-V161 VanDerWaalsContact N-O 3.16Å; S67-F162 WeakPolarHBondContact OG-CD1 3.34Å; S67-F162 WeakPolarHBondContact OG-CE1 3.37Å; S67-V201 WeakPolarHBondContact CA-O 3.47Å; S67-V201 WeakPolarHBondContact CB-O 3.4Å
68N98.2Very high96.9Very high0 Ų024.3 Ų24.30%014%0.142CC..  trans-64.9151.9166.365.8-57000110.6H70 F162 W202 H203N68-H70 PolarHBondContact ND2-CE1 3.15Å; N68-H70 PolarHBondContact ND2-ND1 3.03Å; N68-H70 VanDerWaalsContact ND2-ND1 3.2Å; N68-H70 PolarHBondContact ND2-NE2 3.03Å; N68-F162 WeakPolarHBondContact O-CD1 3.27Å; N68-F162 WeakPolarHBondContact O-CE1 3.26Å; N68-W202 HydrophobicContact CB-CD2 3.85Å; N68-W202 HydrophobicContact CB-CE3 3.83Å; N68-W202 HydrophobicContact CB-CH2 3.72Å; N68-W202 HydrophobicContact CB-CZ2 3.74Å; N68-W202 HydrophobicContact CB-CZ3 3.78Å; N68-W202 VanDerWaalsContact OD1-CA 3.3Å; N68-W202 WeakPolarHBondContact OD1-CA 3.5Å; N68-H203 PolarHBondContact ND2-O 2.96Å; N68-H203 PolarHBondContact O-NE2 2.92Å; N68-H203 PolarHBondContact OD1-CD2 3.37Å; N68-H203 PolarHBondContact OD1-N 2.9Å
69H97.6Very high96.9Very high30 Ų3021.2 Ų21.214%0.13912%0.122CC..  trans-122.995.4-176.3-162.119.1000110.4S71 D74 F162 R166 I167 I168H69-S71 PolarHBondContact CE1-O 2.83Å; H69-S71 PolarHBondContact ND1-O 3.25Å; H69-D74 VanDerWaalsContact CA-OD2 3.27Å; H69-D74 WeakPolarHBondContact CA-OD2 3.27Å; H69-D74 IonicContact CE1-OD2 3.9Å; H69-D74 IonicContact CG-OD2 2.8Å; H69-D74 IonicContact ND1-OD2 3.14Å; H69-D74 PolarHBondContact ND1-OD2 3.24Å; H69-F162 HydrophobicContact CB-CB 3.97Å; H69-F162 HydrophobicContact CB-CD1 3.61Å; H69-F162 HydrophobicContact CB-CE1 4.43Å; H69-F162 HydrophobicContact CB-CG 4.06Å; H69-F162 AromaticContact CG-CD1 3.71Å; H69-F162 AromaticContact CG-CG 3.87Å; H69-F162 AromaticContact ND1-CD1 3.79Å; H69-F162 AromaticContact ND1-CE1 3.98Å; H69-R166 VanDerWaalsContact CD2-C 3.42Å; H69-R166 PolarHBondContact CD2-O 3.38Å; H69-I167 CarbonylContact O-C 3.55Å; H69-I167 WeakPolarHBondContact O-CA 3.44Å; H69-I168 PolarHBondContact O-N 3.25Å
70H96.9Very high97Very high5 Ų516.3 Ų16.32%0.0239%0.088CC..  trans-111-12.3-176.8-65.3179.3000113N68 D74 I167 E176 D207N68-H70 PolarHBondContact ND2-CE1 3.15Å; N68-H70 PolarHBondContact ND2-ND1 3.03Å; N68-H70 VanDerWaalsContact ND2-ND1 3.2Å; N68-H70 PolarHBondContact ND2-NE2 3.03Å; H70-D74 PolarHBondContact N-OD2 2.95Å; H70-I167 WeakPolarHBondContact O-CG2 3.46Å; H70-E176 IonicContact CD2-OE1 3.87Å; H70-E176 PolarHBondContact CD2-OE1 3.14Å; H70-E176 IonicContact CE1-OE1 3.7Å; H70-E176 IonicContact CE1-OE2 2.7Å; H70-E176 IonicContact NE2-OE1 3.56Å; H70-E176 PolarHBondContact NE2-OE1 3.5Å; H70-E176 IonicContact NE2-OE2 3.45Å; H70-E176 PolarHBondContact NE2-OE2 3.11Å; H70-D207 HydrophobicContact CB-CB 4.11Å
71S95.6Very high97.1Very high0 Ų012.6 Ų12.60%07%0.069CC..SBendtrans-144.8164.6175.586.20000113H69 L73 D74 N210H69-S71 PolarHBondContact CE1-O 2.83Å; H69-S71 PolarHBondContact ND1-O 3.25Å; S71-L73 VanDerWaalsContact C-N 3.27Å; S71-L73 PolarHBondContact O-N 2.85Å; S71-L73 PolarHBondContact OG-N 2.83Å; S71-D74 VanDerWaalsContact CB-OD1 3.23Å; S71-D74 WeakPolarHBondContact CB-OD1 3.35Å; S71-D74 VanDerWaalsContact N-CG 3.31Å; S71-D74 PolarHBondContact N-OD1 3.48Å; S71-D74 VanDerWaalsContact N-OD1 3.14Å; S71-D74 PolarHBondContact N-OD2 3.13Å; S71-D74 VanDerWaalsContact O-CG 3.23Å; S71-D74 VanDerWaalsContact O-OD2 3.06Å; S71-D74 VanDerWaalsContact OG-CG 3.29Å; S71-D74 PolarHBondContact OG-N 2.89Å; S71-D74 VanDerWaalsContact OG-N 3.1Å; S71-D74 PolarHBondContact OG-OD1 2.85Å; S71-N210 VanDerWaalsContact CB-O 3.22Å; S71-N210 WeakPolarHBondContact CB-O 3.44Å; S71-N210 WeakPolarHBondContact CB-OD1 3.35Å
72C94.1Very high97.1Very high67 Ų6710.5 Ų10.545%0.4536%0.059SC..THydrogen-bonded Turntrans-69.8-28.2177-168.90000112I167 N210C72-I167 HydrophobicContact CB-CD1 3.93Å; C72-N210 WeakPolarHBondContact CB-OD1 3.29Å; C72-N210 PolarHBondContact N-OD1 3.26Å
73L96.1Very high97Very high50 Ų5010.5 Ų10.526%0.2626%0.059SC..THydrogen-bonded Turntrans-100.98-175.5-58.2-176.4000114.5S71 D75 F76 F77 N210 T220S71-L73 VanDerWaalsContact C-N 3.27Å; S71-L73 PolarHBondContact O-N 2.85Å; S71-L73 PolarHBondContact OG-N 2.83Å; L73-D75 PolarHBondContact O-N 3.11Å; L73-D75 VanDerWaalsContact O-N 3.14Å; L73-F76 HydrophobicContact CB-CD2 4.11Å; L73-F76 HydrophobicContact CD2-CD2 3.55Å; L73-F76 HydrophobicContact CD2-CE2 3.64Å; L73-F76 HydrophobicContact CG-CD2 4.4Å; L73-F76 PolarHBondContact O-N 3.13Å; L73-F77 HydrophobicContact CB-CD2 3.99Å; L73-F77 HydrophobicContact CB-CE2 3.72Å; L73-F77 HydrophobicContact CB-CZ 4.46Å; L73-F77 HydrophobicContact CD1-CE2 4.44Å; L73-F77 WeakPolarHBondContact O-CD2 3.48Å; L73-F77 PolarHBondContact O-N 3.32Å; L73-F77 VanDerWaalsContact O-N 3.11Å; L73-N210 HydrophobicContact CB-CB 4.12Å; L73-N210 HydrophobicContact CD1-CB 4.15Å; L73-N210 HydrophobicContact CG-CB 4.21Å; L73-N210 PolarHBondContact N-OD1 3.48Å; L73-T220 HydrophobicContact CD1-CG2 3.8Å
74D97.6Very high96.9Very high0 Ų015.3 Ų15.30%08%0.08CC..Hα-helixtrans-46.4-48.1178.8-71.1-19.1000111.4H69 H70 S71 F76 F77 L78 F162 H203H69-D74 VanDerWaalsContact CA-OD2 3.27Å; H69-D74 WeakPolarHBondContact CA-OD2 3.27Å; H69-D74 IonicContact CE1-OD2 3.9Å; H69-D74 IonicContact CG-OD2 2.8Å; H69-D74 IonicContact ND1-OD2 3.14Å; H69-D74 PolarHBondContact ND1-OD2 3.24Å; H70-D74 PolarHBondContact N-OD2 2.95Å; S71-D74 VanDerWaalsContact CB-OD1 3.23Å; S71-D74 WeakPolarHBondContact CB-OD1 3.35Å; S71-D74 VanDerWaalsContact N-CG 3.31Å; S71-D74 PolarHBondContact N-OD1 3.48Å; S71-D74 VanDerWaalsContact N-OD1 3.14Å; S71-D74 PolarHBondContact N-OD2 3.13Å; S71-D74 VanDerWaalsContact O-CG 3.23Å; S71-D74 VanDerWaalsContact O-OD2 3.06Å; S71-D74 VanDerWaalsContact OG-CG 3.29Å; S71-D74 PolarHBondContact OG-N 2.89Å; S71-D74 VanDerWaalsContact OG-N 3.1Å; S71-D74 PolarHBondContact OG-OD1 2.85Å; D74-F76 VanDerWaalsContact C-N 3.33Å; D74-F76 PolarHBondContact O-N 2.83Å; D74-F77 PolarHBondContact O-N 2.84Å; D74-L78 WeakPolarHBondContact O-CB 3.4Å; D74-L78 VanDerWaalsContact O-CG 3.26Å; D74-L78 WeakPolarHBondContact O-CG 3.48Å; D74-L78 PolarHBondContact O-N 3.33Å; D74-F162 HydrophobicContact CB-CE1 3.75Å; D74-F162 HydrophobicContact CB-CZ 3.73Å; D74-H203 VanDerWaalsContact CG-NE2 3.25Å; D74-H203 IonicContact OD1-CE1 3.5Å; D74-H203 PolarHBondContact OD1-CE1 2.95Å; D74-H203 IonicContact OD1-NE2 2.74Å; D74-H203 PolarHBondContact OD1-NE2 2.76Å; D74-H203 IonicContact OD2-CE1 2.72Å; D74-H203 IonicContact OD2-NE2 3.14Å; D74-H203 PolarHBondContact OD2-NE2 3.4Å
75D96.8Very high96.6Very high10 Ų1020.4 Ų20.45%0.05311%0.107CC..Hα-helixtrans-53.8-47.6-178.3-163.947.6000112.4L73 C79 R95 C97 H160 F162L73-D75 PolarHBondContact O-N 3.11Å; L73-D75 VanDerWaalsContact O-N 3.14Å; D75-C79 PolarHBondContact O-N 2.86Å; D75-C79 VanDerWaalsContact O-N 3.14Å; D75-R95 PolarHBondContact O-NH2 3.5Å; D75-R95 IonicContact OD1-CZ 3.23Å; D75-R95 IonicContact OD1-NE 2.74Å; D75-R95 PolarHBondContact OD1-NE 2.84Å; D75-R95 IonicContact OD1-NH1 2.89Å; D75-R95 PolarHBondContact OD1-NH1 2.79Å; D75-R95 IonicContact OD1-NH2 3.31Å; D75-R95 PolarHBondContact OD1-NH2 3.3Å; D75-R95 IonicContact OD2-CZ 3.99Å; D75-R95 IonicContact OD2-NH1 3.02Å; D75-R95 PolarHBondContact OD2-NH1 2.87Å; D75-R95 IonicContact OD2-NH2 3.05Å; D75-R95 PolarHBondContact OD2-NH2 2.9Å; D75-C97 PolarHBondContact OD1-SG 2.82Å; D75-H160 IonicContact OD1-CD2 3.18Å; D75-H160 PolarHBondContact OD1-CD2 2.92Å; D75-F162 HydrophobicContact CB-CE2 3.8Å; D75-F162 HydrophobicContact CB-CZ 4.02Å
76F96.6Very high96.4Very high17 Ų1726.5 Ų26.58%0.07513%0.13CC..Hα-helixtrans-71-40.1-179.4-54.9-67.6000111.9M29 S33 L73 D74 C79 G80 F113 F114 F117M29-F76 HydrophobicContact CE-CB 4.32Å; M29-F76 HydrophobicContact CG-CB 4.43Å; M29-F76 HydrophobicContact CG-CD1 3.51Å; M29-F76 HydrophobicContact CG-CE1 4.13Å; M29-F76 HydrophobicContact CG-CG 4.25Å; M29-F76 HydrophobicContact SD-CD1 4.06Å; M29-F76 HydrophobicContact SD-CG 4.42Å; S33-F76 WeakPolarHBondContact CB-O 3.19Å; S33-F76 PolarHBondContact OG-O 2.99Å; L73-F76 HydrophobicContact CB-CD2 4.11Å; L73-F76 HydrophobicContact CD2-CD2 3.55Å; L73-F76 HydrophobicContact CD2-CE2 3.64Å; L73-F76 HydrophobicContact CG-CD2 4.4Å; L73-F76 PolarHBondContact O-N 3.13Å; D74-F76 VanDerWaalsContact C-N 3.33Å; D74-F76 PolarHBondContact O-N 2.83Å; F76-C79 WeakPolarHBondContact O-CB 3.25Å; F76-C79 PolarHBondContact O-N 3.15Å; F76-G80 PolarHBondContact O-N 3.18Å; F76-F113 AromaticContact CE1-CE1 3.8Å; F76-F113 HydrophobicContact CE1-CE1 3.8Å; F76-F113 AromaticContact CE1-CZ 3.8Å; F76-F113 HydrophobicContact CE1-CZ 3.8Å; F76-F113 AromaticContact CZ-CE1 3.76Å; F76-F113 HydrophobicContact CZ-CE1 3.76Å; F76-F113 HydrophobicContact CZ-CZ 4.13Å; F76-F114 AromaticContact CZ-CE1 3.76Å; F76-F114 HydrophobicContact CZ-CE1 3.76Å; F76-F114 HydrophobicContact CZ-CZ 4.08Å; F76-F117 AromaticContact CD1-CD1 3.99Å; F76-F117 HydrophobicContact CD1-CD1 3.99Å; F76-F117 AromaticContact CD1-CE1 3.34Å; F76-F117 HydrophobicContact CD1-CE1 3.34Å; F76-F117 AromaticContact CD1-CZ 3.8Å; F76-F117 HydrophobicContact CD1-CZ 3.8Å; F76-F117 AromaticContact CE1-CD1 3.51Å; F76-F117 HydrophobicContact CE1-CD1 3.51Å; F76-F117 AromaticContact CE1-CE1 3.38Å; F76-F117 HydrophobicContact CE1-CE1 3.38Å; F76-F117 HydrophobicContact CE1-CG 4.39Å; F76-F117 HydrophobicContact CE1-CZ 4.18Å
77F97.7Very high96.2Very high7 Ų726.7 Ų26.73%0.03113%0.131CC..Hα-helixtrans-70.3-36.5177.9-69.8-48.2000112.3A36 L37 L73 D74 C79 G80 S81 L206 L209 N210 I224A36-F77 HydrophobicContact CB-CE1 4.29Å; L37-F77 HydrophobicContact CD1-CB 4.24Å; L37-F77 HydrophobicContact CD1-CD1 4.24Å; L37-F77 VanDerWaalsContact CD1-O 3.28Å; L37-F77 WeakPolarHBondContact CD1-O 3.33Å; L37-F77 HydrophobicContact CD2-CD1 4.02Å; L37-F77 HydrophobicContact CD2-CG 4.44Å; L37-F77 HydrophobicContact CG-CD1 4Å; L73-F77 HydrophobicContact CB-CD2 3.99Å; L73-F77 HydrophobicContact CB-CE2 3.72Å; L73-F77 HydrophobicContact CB-CZ 4.46Å; L73-F77 HydrophobicContact CD1-CE2 4.44Å; L73-F77 WeakPolarHBondContact O-CD2 3.48Å; L73-F77 PolarHBondContact O-N 3.32Å; L73-F77 VanDerWaalsContact O-N 3.11Å; D74-F77 PolarHBondContact O-N 2.84Å; F77-C79 VanDerWaalsContact C-N 3.31Å; F77-C79 PolarHBondContact O-N 3.43Å; F77-G80 PolarHBondContact O-N 2.91Å; F77-G80 VanDerWaalsContact O-N 3.14Å; F77-S81 WeakPolarHBondContact O-CB 3.43Å; F77-S81 PolarHBondContact O-N 2.75Å; F77-S81 PolarHBondContact O-OG 2.92Å; F77-L206 HydrophobicContact CB-CD1 3.69Å; F77-L206 HydrophobicContact CB-CD2 3.64Å; F77-L206 HydrophobicContact CB-CG 4.29Å; F77-L206 HydrophobicContact CD2-CB 4.38Å; F77-L206 HydrophobicContact CD2-CD1 4.47Å; F77-L206 HydrophobicContact CD2-CD2 4.03Å; F77-L206 HydrophobicContact CG-CD2 3.95Å; F77-L209 HydrophobicContact CE2-CB 4.14Å; F77-L209 HydrophobicContact CZ-CB 4.11Å; F77-L209 HydrophobicContact CZ-CD1 4.41Å; F77-N210 HydrophobicContact CE2-CB 4.1Å; F77-I224 HydrophobicContact CE1-CD1 4.41Å; F77-I224 HydrophobicContact CZ-CD1 4.02Å; F77-I224 HydrophobicContact CZ-CG1 4.34Å
78L97.5Very high95.8Very high4 Ų427 Ų272%0.02113%0.132CC..Hα-helixtrans-61.4-40.8171.8-72.8177000111S67 D74 G80 S81 L82 F162 V201 H203 L206 V233S67-L78 WeakPolarHBondContact OG-CD1 3.3Å; D74-L78 WeakPolarHBondContact O-CB 3.4Å; D74-L78 VanDerWaalsContact O-CG 3.26Å; D74-L78 WeakPolarHBondContact O-CG 3.48Å; D74-L78 PolarHBondContact O-N 3.33Å; L78-G80 PolarHBondContact O-N 2.83Å; L78-S81 WeakPolarHBondContact CA-OG 3.25Å; L78-S81 PolarHBondContact O-N 2.96Å; L78-S81 PolarHBondContact O-OG 3.42Å; L78-S81 VanDerWaalsContact O-OG 3.13Å; L78-L82 HydrophobicContact CB-CD1 4.4Å; L78-L82 HydrophobicContact CD2-CD1 4.37Å; L78-L82 VanDerWaalsContact O-CB 3.27Å; L78-L82 WeakPolarHBondContact O-CB 3.22Å; L78-L82 WeakPolarHBondContact O-CG 3.43Å; L78-L82 PolarHBondContact O-N 2.82Å; L78-F162 HydrophobicContact CD1-CE1 4.23Å; L78-F162 HydrophobicContact CD1-CZ 4.12Å; L78-V201 HydrophobicContact CD2-CG1 4Å; L78-H203 HydrophobicContact CD2-CB 4.25Å; L78-L206 HydrophobicContact CD2-CD1 4.47Å; L78-L206 HydrophobicContact CG-CD1 4.44Å; L78-V233 HydrophobicContact CD2-CG1 3.89Å; L78-V233 HydrophobicContact CD2-CG2 4.36Å
79C95.3Very high95.2Very high2 Ų230.5 Ų30.51%0.01416%0.161CC..Hα-helixtrans-58.1-47.4170.2-94.10000112.4D75 F76 F77 L83 R95D75-C79 PolarHBondContact O-N 2.86Å; D75-C79 VanDerWaalsContact O-N 3.14Å; F76-C79 WeakPolarHBondContact O-CB 3.25Å; F76-C79 PolarHBondContact O-N 3.15Å; F77-C79 VanDerWaalsContact C-N 3.31Å; F77-C79 PolarHBondContact O-N 3.43Å; C79-L83 WeakPolarHBondContact O-CB 3.19Å; C79-L83 PolarHBondContact O-N 3.13Å; C79-R95 PolarHBondContact SG-NE 3.35Å; C79-R95 PolarHBondContact SG-NH2 2.96Å
80G95.8Very high94.9Very high1 Ų132.3 Ų32.31%0.0117%0.172CC..Hα-helixtrans-66.4-35.6-179.200000114.3K34 F76 F77 L78K34-G80 WeakPolarHBondContact CE-O 3.25Å; K34-G80 PolarHBondContact NZ-O 3.15Å; F76-G80 PolarHBondContact O-N 3.18Å; F77-G80 PolarHBondContact O-N 2.91Å; F77-G80 VanDerWaalsContact O-N 3.14Å; L78-G80 PolarHBondContact O-N 2.83Å
81S96.8Very high94.5Very high12 Ų1232.5 Ų32.58%0.08417%0.173CC..Hα-helixtrans-79.9-46.1-178.952.60000112.7F77 L78F77-S81 WeakPolarHBondContact O-CB 3.43Å; F77-S81 PolarHBondContact O-N 2.75Å; F77-S81 PolarHBondContact O-OG 2.92Å; L78-S81 WeakPolarHBondContact CA-OG 3.25Å; L78-S81 PolarHBondContact O-N 2.96Å; L78-S81 PolarHBondContact O-OG 3.42Å; L78-S81 VanDerWaalsContact O-OG 3.13Å
82L96.9Very high94.2Very high13 Ų1335.9 Ų35.97%0.06819%0.194CC..Hα-helixtrans-84.8-31.4-171-63.7173.1000114V44 F50 L78 V201 V233 V235V44-L82 HydrophobicContact CG1-CD2 3.88Å; F50-L82 HydrophobicContact CD1-CB 3.9Å; F50-L82 HydrophobicContact CD2-CD1 4.32Å; F50-L82 HydrophobicContact CE1-CB 3.6Å; F50-L82 HydrophobicContact CE1-CD1 4.35Å; F50-L82 HydrophobicContact CE2-CD1 3.88Å; F50-L82 HydrophobicContact CG-CB 4.5Å; F50-L82 HydrophobicContact CG-CD2 4.5Å; F50-L82 HydrophobicContact CZ-CB 3.95Å; F50-L82 HydrophobicContact CZ-CD1 3.87Å; F50-L82 HydrophobicContact CZ-CG 4.5Å; L78-L82 HydrophobicContact CB-CD1 4.4Å; L78-L82 HydrophobicContact CD2-CD1 4.37Å; L78-L82 VanDerWaalsContact O-CB 3.27Å; L78-L82 WeakPolarHBondContact O-CB 3.22Å; L78-L82 WeakPolarHBondContact O-CG 3.43Å; L78-L82 PolarHBondContact O-N 2.82Å; L82-V201 HydrophobicContact CD1-CG1 4.38Å; L82-V201 HydrophobicContact CD1-CG2 4.49Å; L82-V233 HydrophobicContact CD2-CG1 3.82Å; L82-V233 HydrophobicContact CG-CG1 4.34Å; L82-V235 HydrophobicContact CD2-CG2 3.58Å
83L95.6Very high94.1Very high2 Ų234 Ų341%0.0118%0.181CC..SBendtrans-92.3149.7-176.5-62.7174000112.3K34 F50 C79 H87 F88 W158K34-L83 WeakPolarHBondContact CE-O 2.91Å; K34-L83 PolarHBondContact NZ-O 3.23Å; F50-L83 HydrophobicContact CE1-CD2 3.94Å; C79-L83 WeakPolarHBondContact O-CB 3.19Å; C79-L83 PolarHBondContact O-N 3.13Å; L83-H87 HydrophobicContact CB-CB 4.11Å; L83-H87 HydrophobicContact CD2-CB 4.06Å; L83-H87 WeakPolarHBondContact CD2-ND1 3.13Å; L83-H87 HydrophobicContact CG-CB 4.48Å; L83-F88 HydrophobicContact CB-CD1 4.25Å; L83-F88 HydrophobicContact CB-CE1 3.6Å; L83-F88 HydrophobicContact CB-CZ 4.27Å; L83-F88 HydrophobicContact CD1-CD1 4.34Å; L83-F88 HydrophobicContact CD1-CE1 4.08Å; L83-F88 HydrophobicContact CG-CE1 4.48Å; L83-W158 HydrophobicContact CD1-CZ3 4.45Å; L83-W158 HydrophobicContact CD2-CH2 4.36Å; L83-W158 HydrophobicContact CD2-CZ3 4.09Å
84K95.2Very high94Very high100 Ų10031.7 Ų31.744%0.43517%0.168SC..  trans-87.5159.2170.7-67.2179.9176.4173.70110L51 R86 H87L51-K84 HydrophobicContact CD1-CD 4.46Å; L51-K84 VanDerWaalsContact CD1-CE 3.43Å; L51-K84 HydrophobicContact CD2-CD 4.14Å; L51-K84 HydrophobicContact CD2-CG 4.03Å; K84-R86 HydrophobicContact CB-CG 4.2Å; K84-R86 PolarHBondContact O-N 3.05Å; K84-R86 VanDerWaalsContact O-N 3.16Å; K84-H87 PolarHBondContact N-ND1 3.34Å; K84-H87 VanDerWaalsContact N-ND1 3.14Å; K84-H87 WeakPolarHBondContact O-CB 3.37Å; K84-H87 PolarHBondContact O-N 3.02Å
85L93.3Very high94Very high107 Ų10731.9 Ų31.956%0.5617%0.169SC*.Hα-helixtrans-52.2-40.3179-68.8174.3000112.8L31 K34 H87 F88L31-L85 HydrophobicContact CD1-CD2 3.88Å; K34-L85 HydrophobicContact CD-CD2 3.91Å; K34-L85 HydrophobicContact CD-CG 4.28Å; L85-H87 PolarHBondContact O-N 2.81Å; L85-F88 HydrophobicContact CD2-CD2 4.01Å; L85-F88 HydrophobicContact CD2-CE2 3.96Å; L85-F88 PolarHBondContact O-N 2.79Å; L85-F88 VanDerWaalsContact O-N 3.1Å
86R93.3Very high94Very high130 Ų13032.2 Ų32.249%0.49117%0.169SC..Hα-helixtrans-60.6-25.6177.168.1176.91749515.8114.2D55 K84D55-R86 IonicContact OD1-CZ 3.61Å; D55-R86 VanDerWaalsContact OD1-CZ 3.31Å; D55-R86 IonicContact OD1-NH1 3.52Å; D55-R86 PolarHBondContact OD1-NH1 3.49Å; D55-R86 IonicContact OD1-NH2 3.43Å; D55-R86 PolarHBondContact OD1-NH2 3.42Å; D55-R86 IonicContact OD2-CZ 3.56Å; D55-R86 IonicContact OD2-NH1 3.44Å; D55-R86 IonicContact OD2-NH2 3.04Å; D55-R86 PolarHBondContact OD2-NH2 3.13Å; K84-R86 HydrophobicContact CB-CG 4.2Å; K84-R86 PolarHBondContact O-N 3.05Å; K84-R86 VanDerWaalsContact O-N 3.16Å
87H94.5Very high94.1Very high3 Ų331.5 Ų31.51%0.01417%0.167CC..Hα-helixtrans-75.8-31.6177.8-55.2155.3000111.4D55 L83 K84 L85 A89 N90 V93D55-H87 IonicContact OD1-CD2 2.61Å; D55-H87 IonicContact OD1-NE2 3.54Å; D55-H87 PolarHBondContact OD1-NE2 3.01Å; L83-H87 HydrophobicContact CB-CB 4.11Å; L83-H87 HydrophobicContact CD2-CB 4.06Å; L83-H87 WeakPolarHBondContact CD2-ND1 3.13Å; L83-H87 HydrophobicContact CG-CB 4.48Å; K84-H87 PolarHBondContact N-ND1 3.34Å; K84-H87 VanDerWaalsContact N-ND1 3.14Å; K84-H87 WeakPolarHBondContact O-CB 3.37Å; K84-H87 PolarHBondContact O-N 3.02Å; L85-H87 PolarHBondContact O-N 2.81Å; H87-A89 PolarHBondContact O-N 3.34Å; H87-N90 CarbonylContact O-C 3.48Å; H87-N90 PolarHBondContact O-N 2.66Å; H87-V93 HydrophobicContact CB-CG2 4.26Å
88F90.4Very high94.1Very high6 Ų632.7 Ų32.73%0.02617%0.173CC..Hα-helixtrans-64.5-29.4179.9-55-34.2000112.7S27 G30 K34 L83 L85 N90S27-F88 PolarHBondContact OG-O 3.25Å; S27-F88 VanDerWaalsContact OG-O 3.13Å; G30-F88 VanDerWaalsContact C-CZ 3.4Å; G30-F88 VanDerWaalsContact CA-CZ 3.49Å; G30-F88 VanDerWaalsContact O-CE2 3.25Å; G30-F88 WeakPolarHBondContact O-CE2 3.37Å; G30-F88 VanDerWaalsContact O-CZ 3.25Å; G30-F88 WeakPolarHBondContact O-CZ 3.48Å; K34-F88 HydrophobicContact CB-CE2 4.31Å; K34-F88 HydrophobicContact CB-CZ 4.48Å; K34-F88 HydrophobicContact CD-CE2 4.28Å; L83-F88 HydrophobicContact CB-CD1 4.25Å; L83-F88 HydrophobicContact CB-CE1 3.6Å; L83-F88 HydrophobicContact CB-CZ 4.27Å; L83-F88 HydrophobicContact CD1-CD1 4.34Å; L83-F88 HydrophobicContact CD1-CE1 4.08Å; L83-F88 HydrophobicContact CG-CE1 4.48Å; L85-F88 HydrophobicContact CD2-CD2 4.01Å; L85-F88 HydrophobicContact CD2-CE2 3.96Å; L85-F88 PolarHBondContact O-N 2.79Å; L85-F88 VanDerWaalsContact O-N 3.1Å; F88-N90 VanDerWaalsContact C-N 3.32Å
89A84.9Confident94.1Very high74 Ų7433 Ų3361%0.61218%0.176SC*.THydrogen-bonded Turntrans-77.7-14.3173.400000113.6H87H87-A89 PolarHBondContact O-N 3.34Å
90N90.9Very high94.1Very high69 Ų6933.7 Ų33.737%0.36918%0.181SC..  trans-116.583.8178.9-174.73.3000111H87 F88 T92 V93H87-N90 CarbonylContact O-C 3.48Å; H87-N90 PolarHBondContact O-N 2.66Å; F88-N90 VanDerWaalsContact C-N 3.32Å; N90-T92 PolarHBondContact O-N 2.97Å; N90-T92 PolarHBondContact OD1-N 2.94Å; N90-T92 PolarHBondContact OD1-OG1 2.98Å; N90-V93 HydrophobicContact CB-CG2 4.38Å; N90-V93 WeakPolarHBondContact O-CG2 3.46Å; N90-V93 PolarHBondContact O-N 3.31Å
91V90.3Very high94.1Very high9 Ų934.3 Ų34.36%0.05519%0.185CC..G310 helixtrans-61.1-18.3-177.573.90000114.4Q22 S23 Y26 V93 C94 R118Q22-V91 HydrophobicContact CB-CG2 3.95Å; S23-V91 WeakPolarHBondContact OG-CG1 3.33Å; Y26-V91 HydrophobicContact CD2-CG2 3.48Å; Y26-V91 VanDerWaalsContact CD2-CG2 3.48Å; Y26-V91 HydrophobicContact CE2-CG2 3.96Å; Y26-V91 HydrophobicContact CG-CG2 4.11Å; V91-V93 VanDerWaalsContact C-N 3.27Å; V91-V93 PolarHBondContact O-N 3.5Å; V91-C94 WeakPolarHBondContact O-CB 3.45Å; V91-C94 PolarHBondContact O-N 3.06Å; V91-R118 PolarHBondContact O-NH1 3.36Å
92T89.1Confident93.9Very high71 Ų7136.2 Ų36.244%0.43619%0.194SC..G310 helixtrans-67.4-27.8179.467.90000113N90N90-T92 PolarHBondContact O-N 2.97Å; N90-T92 PolarHBondContact OD1-N 2.94Å; N90-T92 PolarHBondContact OD1-OG1 2.98Å
93V92Very high93.7Very high28 Ų2839.4 Ų39.417%0.1721%0.21CC..G310 helixtrans-952.8178-49.40000112.4I54 H87 N90 V91 W158I54-V93 HydrophobicContact CG2-CB 3.98Å; I54-V93 HydrophobicContact CG2-CG2 3.94Å; H87-V93 HydrophobicContact CB-CG2 4.26Å; N90-V93 HydrophobicContact CB-CG2 4.38Å; N90-V93 WeakPolarHBondContact O-CG2 3.46Å; N90-V93 PolarHBondContact O-N 3.31Å; V91-V93 VanDerWaalsContact C-N 3.27Å; V91-V93 PolarHBondContact O-N 3.5Å; V93-W158 VanDerWaalsContact O-CE3 3.22Å
94C94.3Very high93.7Very high0 Ų040 Ų400%021%0.214CC..SBendtrans-86.1148.8177-68.90000111.6Y26 V91 R118Y26-C94 HydrophobicContact CD1-CB 3.76Å; Y26-C94 VanDerWaalsContact CD1-SG 3.56Å; Y26-C94 HydrophobicContact CE1-CB 3.45Å; Y26-C94 VanDerWaalsContact CE1-CB 3.45Å; Y26-C94 HydrophobicContact CE2-CB 4.26Å; Y26-C94 HydrophobicContact CG-CB 4.29Å; V91-C94 WeakPolarHBondContact O-CB 3.45Å; V91-C94 PolarHBondContact O-N 3.06Å; C94-R118 PolarHBondContact O-NE 3.17Å; C94-R118 PolarHBondContact O-NH2 3.14Å
95R96.5Very high93.7Very high4 Ų436.2 Ų36.22%0.01520%0.197CC..PPolyproline II helixtrans-62.1148.6-179.653.5178.3-177.367.510.5112.8Y26 D75 C79 W158 H160Y26-R95 PolarHBondContact OH-O 3.34Å; D75-R95 PolarHBondContact O-NH2 3.5Å; D75-R95 IonicContact OD1-CZ 3.23Å; D75-R95 IonicContact OD1-NE 2.74Å; D75-R95 PolarHBondContact OD1-NE 2.84Å; D75-R95 IonicContact OD1-NH1 2.89Å; D75-R95 PolarHBondContact OD1-NH1 2.79Å; D75-R95 IonicContact OD1-NH2 3.31Å; D75-R95 PolarHBondContact OD1-NH2 3.3Å; D75-R95 IonicContact OD2-CZ 3.99Å; D75-R95 IonicContact OD2-NH1 3.02Å; D75-R95 PolarHBondContact OD2-NH1 2.87Å; D75-R95 IonicContact OD2-NH2 3.05Å; D75-R95 PolarHBondContact OD2-NH2 2.9Å; C79-R95 PolarHBondContact SG-NE 3.35Å; C79-R95 PolarHBondContact SG-NH2 2.96Å; R95-W158 CarbonylContact C-O 3.39Å; R95-W158 WeakPolarHBondContact CA-O 3.41Å; R95-W158 HydrophobicContact CB-CD2 3.51Å; R95-W158 HydrophobicContact CB-CE3 3.69Å; R95-W158 HydrophobicContact CB-CG 4.06Å; R95-W158 HydrophobicContact CB-CH2 3.78Å; R95-W158 HydrophobicContact CB-CZ2 3.66Å; R95-W158 HydrophobicContact CB-CZ3 3.83Å; R95-W158 HydrophobicContact CG-CH2 3.96Å; R95-W158 HydrophobicContact CG-CZ2 4.12Å; R95-W158 HydrophobicContact CG-CZ3 4.23Å; R95-H160 HydrophobicContact CB-CB 4.08Å; R95-H160 HydrophobicContact CG-CB 4.38Å
96W97.9Very high93.7Very high17 Ų1735.2 Ų35.26%0.06420%0.196CC..EExtended strand (participates in β ladder)trans-88.3146149.7-65.887.8000108.6Y8 R118 V120 F148 L152 W158 V159 H160Y8-W96 HydrophobicContact CD1-CH2 4.07Å; Y8-W96 HydrophobicContact CD1-CZ3 4.1Å; Y8-W96 AromaticContact CE1-CH2 3.67Å; Y8-W96 HydrophobicContact CE1-CH2 3.67Å; Y8-W96 AromaticContact CE1-CZ3 3.4Å; Y8-W96 HydrophobicContact CE1-CZ3 3.4Å; Y8-W96 VanDerWaalsContact CE1-CZ3 3.4Å; Y8-W96 HydrophobicContact CE2-CZ3 4.25Å; Y8-W96 AromaticContact CZ-CZ3 3.51Å; W96-R118 WeakPolarHBondContact CA-O 3.42Å; W96-R118 HydrophobicContact CD2-CB 3.75Å; W96-R118 HydrophobicContact CD2-CG 4.1Å; W96-R118 VanDerWaalsContact CE2-CZ 3.46Å; W96-R118 VanDerWaalsContact CE2-NE 3.32Å; W96-R118 HydrophobicContact CE3-CB 3.55Å; W96-R118 HydrophobicContact CE3-CG 4.06Å; W96-R118 HydrophobicContact CG-CB 4.25Å; W96-R118 HydrophobicContact CH2-CB 4.45Å; W96-R118 HydrophobicContact CH2-CG 4.08Å; W96-R118 HydrophobicContact CZ2-CG 4.11Å; W96-R118 HydrophobicContact CZ3-CB 3.92Å; W96-R118 HydrophobicContact CZ3-CG 4.04Å; W96-V120 HydrophobicContact CB-CG2 4.3Å; W96-V120 HydrophobicContact CE3-CG2 3.9Å; W96-F148 HydrophobicContact CE3-CE1 4.2Å; W96-F148 HydrophobicContact CH2-CZ 4.41Å; W96-F148 HydrophobicContact CZ3-CE1 4.07Å; W96-F148 HydrophobicContact CZ3-CZ 4.28Å; W96-L152 HydrophobicContact CB-CD1 3.81Å; W96-L152 HydrophobicContact CD2-CD1 3.49Å; W96-L152 VanDerWaalsContact CD2-CD1 3.49Å; W96-L152 HydrophobicContact CD2-CD2 4.08Å; W96-L152 HydrophobicContact CD2-CG 4.44Å; W96-L152 HydrophobicContact CE3-CD1 3.94Å; W96-L152 HydrophobicContact CG-CD1 3.42Å; W96-L152 VanDerWaalsContact CG-CD1 3.42Å; W96-L152 HydrophobicContact CG-CD2 4.38Å; W96-L152 HydrophobicContact CG-CG 4.46Å; W96-L152 HydrophobicContact CZ2-CD2 3.9Å; W96-W158 PolarHBondContact N-O 3.06Å; W96-V159 HydrophobicContact CB-CG2 4.45Å; W96-V159 CarbonylContact O-C 3.41Å; W96-V159 WeakPolarHBondContact O-CA 3.43Å; W96-H160 PolarHBondContact O-N 3.3Å
97C97.9Very high93.8Very high2 Ų232 Ų321%0.01419%0.191CC..EExtended strand (participates in β ladder)trans-133.9138.6177.5-174.90000112.4D75 T99 R118 G119 V120 H160D75-C97 PolarHBondContact OD1-SG 2.82Å; C97-T99 PolarHBondContact O-N 3.49Å; C97-R118 PolarHBondContact N-O 2.93Å; C97-G119 CarbonylContact O-C 3.57Å; C97-G119 WeakPolarHBondContact O-CA 3.2Å; C97-V120 PolarHBondContact O-N 2.92Å; C97-H160 HydrophobicContact CB-CB 4.41Å
98L97.6Very high93.8Very high33 Ų3336.5 Ų36.517%0.17322%0.222CC..EExtended strand (participates in β ladder)trans-66.6123.5169.5-65174.6000109.5V120 I122 M146 C149 H160 V161L98-V120 WeakPolarHBondContact CA-O 3.25Å; L98-V120 HydrophobicContact CD2-CB 4.06Å; L98-V120 HydrophobicContact CD2-CG1 3.97Å; L98-I122 HydrophobicContact CB-CB 4.33Å; L98-I122 HydrophobicContact CB-CG2 4.22Å; L98-I122 HydrophobicContact CD2-CB 4.25Å; L98-I122 HydrophobicContact CD2-CD1 3.95Å; L98-I122 HydrophobicContact CD2-CG1 4.47Å; L98-M146 HydrophobicContact CD1-SD 4.13Å; L98-M146 HydrophobicContact CD2-SD 4.48Å; L98-C149 VanDerWaalsContact CD2-SG 3.52Å; L98-H160 PolarHBondContact N-O 2.85Å; L98-V161 HydrophobicContact CD1-CB 4.36Å; L98-V161 HydrophobicContact CD1-CG1 3.64Å; L98-V161 HydrophobicContact CG-CG1 4.24Å
99T96.7Very high94Very high11 Ų1143.6 Ų43.67%0.06725%0.254CS..EExtended strand (participates in β ladder)trans-129.8128.5-176.246.60000109.9C97 V101 Y105 F114 V120 P121 I122C97-T99 PolarHBondContact O-N 3.49Å; T99-V101 PolarHBondContact O-N 2.84Å; T99-Y105 WeakPolarHBondContact OG1-CE2 3.41Å; T99-Y105 PolarHBondContact OG1-OH 3.33Å; T99-F114 HydrophobicContact CG2-CD1 3.84Å; T99-F114 HydrophobicContact CG2-CE1 4.1Å; T99-V120 PolarHBondContact N-O 3.43Å; T99-V120 PolarHBondContact OG1-O 3.29Å; T99-P121 CarbonylContact O-C 3.54Å; T99-P121 WeakPolarHBondContact O-CA 3.34Å; T99-I122 PolarHBondContact O-N 3.5Å
100A95.7Very high94.5Very high16 Ų1643.6 Ų43.613%0.13224%0.241CC..EExtended strand (participates in β ladder)trans-67.3128.7-168.400000112.6D102 I103 C104 R124A100-D102 VanDerWaalsContact C-N 3.32Å; A100-D102 PolarHBondContact O-N 2.9Å; A100-I103 HydrophobicContact CB-CB 4.41Å; A100-I103 HydrophobicContact CB-CD1 4.32Å; A100-I103 HydrophobicContact CB-CG1 4.36Å; A100-I103 PolarHBondContact O-N 3.43Å; A100-C104 WeakPolarHBondContact O-CB 3.43Å; A100-C104 PolarHBondContact O-N 3.17Å; A100-R124 HydrophobicContact CB-CG 4.45Å
101V95.5Very high94.7Very high14 Ų1441.4 Ų41.49%0.08523%0.23CC..Hα-helixtrans-58.4-43.5-177.6173.70000112.7L3 T99 I103 Y105 P121 I122 W123L3-V101 HydrophobicContact CD2-CG1 4.21Å; L3-V101 HydrophobicContact CD2-CG2 4.13Å; T99-V101 PolarHBondContact O-N 2.84Å; V101-I103 PolarHBondContact O-N 3.43Å; V101-I103 VanDerWaalsContact O-N 3.15Å; V101-Y105 HydrophobicContact CG2-CD2 4.46Å; V101-Y105 PolarHBondContact O-N 2.89Å; V101-P121 HydrophobicContact CG2-CB 3.64Å; V101-I122 PolarHBondContact N-O 3.45Å; V101-I122 VanDerWaalsContact N-O 3.08Å; V101-W123 HydrophobicContact CB-CD2 4.16Å; V101-W123 HydrophobicContact CB-CE3 3.98Å; V101-W123 HydrophobicContact CB-CZ3 4.17Å; V101-W123 HydrophobicContact CG1-CD2 4.27Å; V101-W123 HydrophobicContact CG1-CE3 3.87Å; V101-W123 HydrophobicContact CG1-CH2 3.61Å; V101-W123 HydrophobicContact CG1-CZ2 4.01Å; V101-W123 HydrophobicContact CG1-CZ3 3.53Å; V101-W123 HydrophobicContact CG2-CD2 3.88Å; V101-W123 HydrophobicContact CG2-CE3 4.23Å; V101-W123 HydrophobicContact CG2-CG 4.22Å; V101-W123 HydrophobicContact CG2-CZ2 4.36Å
102D93.1Very high94.8Very high51 Ų5144.4 Ų44.427%0.27325%0.245SC..Hα-helixtrans-70.1-8.2-176.964-64.8000114.2A100 T106 R124 V126A100-D102 VanDerWaalsContact C-N 3.32Å; A100-D102 PolarHBondContact O-N 2.9Å; D102-T106 WeakPolarHBondContact O-CG2 3.44Å; D102-R124 IonicContact OD1-CZ 2.7Å; D102-R124 IonicContact OD1-NE 2.84Å; D102-R124 PolarHBondContact OD1-NE 3.47Å; D102-R124 IonicContact OD1-NH2 2.68Å; D102-R124 IonicContact OD2-CZ 3.85Å; D102-R124 VanDerWaalsContact OD2-CZ 3.28Å; D102-R124 IonicContact OD2-NE 2.86Å; D102-R124 PolarHBondContact OD2-NE 2.8Å; D102-R124 IonicContact OD2-NH2 3.2Å; D102-R124 PolarHBondContact OD2-NH2 3.12Å; D102-V126 HydrophobicContact CB-CG2 4.41Å
103I92.5Very high95.1Very high81 Ų8143.1 Ų43.142%0.41523%0.234SC..Hα-helixtrans-115.7-53.3178.4-57.3178.8000110.4A100 V101 T106A100-I103 HydrophobicContact CB-CB 4.41Å; A100-I103 HydrophobicContact CB-CD1 4.32Å; A100-I103 HydrophobicContact CB-CG1 4.36Å; A100-I103 PolarHBondContact O-N 3.43Å; V101-I103 PolarHBondContact O-N 3.43Å; V101-I103 VanDerWaalsContact O-N 3.15Å; I103-T106 PolarHBondContact O-OG1 2.95Å
104C95.4Very high95.3Very high13 Ų1343.2 Ų43.29%0.08823%0.232CC..Hα-helixtrans-88.2-14.6-167.2-61.70000114.1A100 H110 F114A100-C104 WeakPolarHBondContact O-CB 3.43Å; A100-C104 PolarHBondContact O-N 3.17Å; C104-H110 CarbonylContact O-C 3.55Å; C104-H110 VanDerWaalsContact O-CB 3.25Å; C104-H110 WeakPolarHBondContact O-CB 3.26Å; C104-F114 HydrophobicContact CB-CD1 4.14Å; C104-F114 HydrophobicContact CB-CD2 3.49Å; C104-F114 VanDerWaalsContact CB-CD2 3.49Å; C104-F114 HydrophobicContact CB-CE1 4.17Å; C104-F114 HydrophobicContact CB-CE2 3.55Å; C104-F114 HydrophobicContact CB-CG 3.81Å; C104-F114 HydrophobicContact CB-CZ 3.9Å; C104-F114 VanDerWaalsContact O-CD2 3.24Å; C104-F114 WeakPolarHBondContact O-CD2 3.42Å; C104-F114 WeakPolarHBondContact SG-CZ 3.28Å
105Y95.8Very high95.2Very high22 Ų2243.7 Ų43.79%0.08623%0.234CC..THydrogen-bonded Turntrans-126.430.6-172.8-59.8-93000112.3L3 L7 T99 V101 T111 F114 G119 P121L3-Y105 HydrophobicContact CD2-CD1 4.17Å; L3-Y105 HydrophobicContact CD2-CG 4.11Å; L7-Y105 HydrophobicContact CD1-CD1 4.16Å; L7-Y105 HydrophobicContact CD1-CE1 3.63Å; T99-Y105 WeakPolarHBondContact OG1-CE2 3.41Å; T99-Y105 PolarHBondContact OG1-OH 3.33Å; V101-Y105 HydrophobicContact CG2-CD2 4.46Å; V101-Y105 PolarHBondContact O-N 2.89Å; Y105-T111 HydrophobicContact CD1-CG2 3.98Å; Y105-F114 HydrophobicContact CE1-CB 4.22Å; Y105-G119 PolarHBondContact OH-O 3.49Å; Y105-P121 HydrophobicContact CD2-CB 4.04Å; Y105-P121 HydrophobicContact CE1-CB 4.18Å; Y105-P121 HydrophobicContact CE2-CB 3.64Å; Y105-P121 HydrophobicContact CG-CB 4.44Å
106T94.1Very high95.1Very high86 Ų8646.8 Ų46.853%0.52825%0.246SC..SBendtrans-80.3-24.1-17850.40000113.3D102 I103 H110D102-T106 WeakPolarHBondContact O-CG2 3.44Å; I103-T106 PolarHBondContact O-OG1 2.95Å; T106-H110 PolarHBondContact OG1-ND1 3.39Å
107T95.2Very high95Very high63 Ų6346.1 Ų46.139%0.38724%0.244SC..SBendtrans-134.5160.1178.873.10000110.6F109 H110 T111T107-F109 VanDerWaalsContact C-N 3.28Å; T107-F109 PolarHBondContact O-N 3.33Å; T107-H110 PolarHBondContact O-N 3.32Å; T107-H110 VanDerWaalsContact OG1-CG 3.24Å; T107-H110 PolarHBondContact OG1-N 2.76Å; T107-H110 VanDerWaalsContact OG1-N 3.16Å; T107-H110 PolarHBondContact OG1-ND1 2.97Å; T107-T111 VanDerWaalsContact O-CB 3.31Å; T107-T111 WeakPolarHBondContact O-CB 3.3Å; T107-T111 PolarHBondContact O-N 3.15Å; T107-T111 PolarHBondContact O-OG1 3.03Å
108S94.1Very high94.9Very high97 Ų9746.6 Ų46.668%0.67825%0.245SC*.Hα-helixtrans-61.1-37.4175.9-56.10000112.4N112S108-N112 WeakPolarHBondContact O-CB 3.34Å; S108-N112 PolarHBondContact O-N 3.31Å; S108-N112 PolarHBondContact O-ND2 3.08Å
109F94.6Very high94.8Very high155 Ų15545.1 Ų45.168%0.6824%0.238SC*.Hα-helixtrans-64-50.8177.2175.8-101.4000111.5T107 T111 N112 F113T107-F109 VanDerWaalsContact C-N 3.28Å; T107-F109 PolarHBondContact O-N 3.33Å; F109-T111 VanDerWaalsContact C-N 3.33Å; F109-T111 PolarHBondContact O-N 3.03Å; F109-N112 PolarHBondContact O-N 3.09Å; F109-F113 PolarHBondContact O-N 3.25Å
110H94.6Very high94.8Very high74 Ų7444.6 Ų44.634%0.34324%0.235SC..Hα-helixtrans-61.2-44177.1-62.3159.9000111.5C104 T106 T107 N112 F113 F114C104-H110 CarbonylContact O-C 3.55Å; C104-H110 VanDerWaalsContact O-CB 3.25Å; C104-H110 WeakPolarHBondContact O-CB 3.26Å; T106-H110 PolarHBondContact OG1-ND1 3.39Å; T107-H110 PolarHBondContact O-N 3.32Å; T107-H110 VanDerWaalsContact OG1-CG 3.24Å; T107-H110 PolarHBondContact OG1-N 2.76Å; T107-H110 VanDerWaalsContact OG1-N 3.16Å; T107-H110 PolarHBondContact OG1-ND1 2.97Å; H110-N112 VanDerWaalsContact C-N 3.33Å; H110-N112 PolarHBondContact O-N 3.46Å; H110-F113 PolarHBondContact O-N 3.15Å; H110-F114 HydrophobicContact CB-CD2 4.47Å; H110-F114 VanDerWaalsContact O-CD2 3.31Å; H110-F114 WeakPolarHBondContact O-CD2 3.19Å; H110-F114 PolarHBondContact O-N 3.49Å
111T95Very high94.9Very high23 Ų2343.9 Ų43.914%0.14123%0.228CC..Hα-helixtrans-54.8-48.3177.5-64.90000111.7L7 Y105 T107 F109 F115L7-T111 HydrophobicContact CD2-CG2 3.75Å; Y105-T111 HydrophobicContact CD1-CG2 3.98Å; T107-T111 VanDerWaalsContact O-CB 3.31Å; T107-T111 WeakPolarHBondContact O-CB 3.3Å; T107-T111 PolarHBondContact O-N 3.15Å; T107-T111 PolarHBondContact O-OG1 3.03Å; F109-T111 VanDerWaalsContact C-N 3.33Å; F109-T111 PolarHBondContact O-N 3.03Å; T111-F115 WeakPolarHBondContact O-CB 3.5Å; T111-F115 PolarHBondContact O-N 3.38Å
112N93.6Very high94.9Very high71 Ų7144.4 Ų44.438%0.3823%0.231SC..Hα-helixtrans-65.7-43.8178.7-75.5-29.4000112.1S108 F109 H110 F115 W116S108-N112 WeakPolarHBondContact O-CB 3.34Å; S108-N112 PolarHBondContact O-N 3.31Å; S108-N112 PolarHBondContact O-ND2 3.08Å; F109-N112 PolarHBondContact O-N 3.09Å; H110-N112 VanDerWaalsContact C-N 3.33Å; H110-N112 PolarHBondContact O-N 3.46Å; N112-F115 WeakPolarHBondContact O-CB 3.33Å; N112-F115 PolarHBondContact O-N 2.94Å; N112-W116 HydrophobicContact CB-CE3 4.29Å; N112-W116 HydrophobicContact CB-CH2 3.69Å; N112-W116 HydrophobicContact CB-CZ2 3.93Å; N112-W116 HydrophobicContact CB-CZ3 3.87Å; N112-W116 VanDerWaalsContact O-CE3 3.32Å; N112-W116 VanDerWaalsContact O-CG 3.31Å; N112-W116 PolarHBondContact O-N 2.98Å
113F95.2Very high95.1Very high45 Ų4547 Ų4720%0.19724%0.236CC..Hα-helixtrans-58-53.6177.1171.1-95.3000111.8T25 M29 F76 F109 H110 F115 W116 F117T25-F113 HydrophobicContact CG2-CD2 4.08Å; T25-F113 HydrophobicContact CG2-CE2 3.89Å; M29-F113 HydrophobicContact CG-CZ 4.49Å; M29-F113 HydrophobicContact SD-CZ 4.33Å; F76-F113 AromaticContact CE1-CE1 3.8Å; F76-F113 HydrophobicContact CE1-CE1 3.8Å; F76-F113 AromaticContact CE1-CZ 3.8Å; F76-F113 HydrophobicContact CE1-CZ 3.8Å; F76-F113 AromaticContact CZ-CE1 3.76Å; F76-F113 HydrophobicContact CZ-CE1 3.76Å; F76-F113 HydrophobicContact CZ-CZ 4.13Å; F109-F113 PolarHBondContact O-N 3.25Å; H110-F113 PolarHBondContact O-N 3.15Å; F113-F115 VanDerWaalsContact C-N 3.3Å; F113-F115 PolarHBondContact O-N 2.9Å; F113-W116 PolarHBondContact O-N 3.36Å; F113-F117 WeakPolarHBondContact O-CB 3.4Å; F113-F117 PolarHBondContact O-N 2.96Å
114F95.7Very high95.1Very high29 Ų2946.2 Ų46.213%0.12723%0.228CC..Hα-helixtrans-66.7-33.9-178.9-79-76.2000111.7F76 T99 C104 Y105 H110 F117 R118 G119F76-F114 AromaticContact CZ-CE1 3.76Å; F76-F114 HydrophobicContact CZ-CE1 3.76Å; F76-F114 HydrophobicContact CZ-CZ 4.08Å; T99-F114 HydrophobicContact CG2-CD1 3.84Å; T99-F114 HydrophobicContact CG2-CE1 4.1Å; C104-F114 HydrophobicContact CB-CD1 4.14Å; C104-F114 HydrophobicContact CB-CD2 3.49Å; C104-F114 VanDerWaalsContact CB-CD2 3.49Å; C104-F114 HydrophobicContact CB-CE1 4.17Å; C104-F114 HydrophobicContact CB-CE2 3.55Å; C104-F114 HydrophobicContact CB-CG 3.81Å; C104-F114 HydrophobicContact CB-CZ 3.9Å; C104-F114 VanDerWaalsContact O-CD2 3.24Å; C104-F114 WeakPolarHBondContact O-CD2 3.42Å; C104-F114 WeakPolarHBondContact SG-CZ 3.28Å; Y105-F114 HydrophobicContact CE1-CB 4.22Å; H110-F114 HydrophobicContact CB-CD2 4.47Å; H110-F114 VanDerWaalsContact O-CD2 3.31Å; H110-F114 WeakPolarHBondContact O-CD2 3.19Å; H110-F114 PolarHBondContact O-N 3.49Å; F114-F117 CarbonylContact O-C 3.53Å; F114-F117 PolarHBondContact O-N 2.84Å; F114-R118 PolarHBondContact O-N 3.17Å; F114-G119 VanDerWaalsContact O-CA 3.31Å; F114-G119 WeakPolarHBondContact O-CA 3.35Å; F114-G119 PolarHBondContact O-N 3.43Å
115F93.8Very high95Very high10 Ų1051.3 Ų51.34%0.04425%0.246CC..Hα-helixtrans-59.3-47.5170.9169-109.5000112.7L7 Y8 R18 T111 N112 F113 F117 R118L7-F115 HydrophobicContact CB-CD2 3.93Å; L7-F115 HydrophobicContact CB-CE2 4.23Å; L7-F115 WeakPolarHBondContact O-CE2 3.49Å; Y8-F115 AromaticContact CD1-CD2 3.97Å; Y8-F115 HydrophobicContact CD1-CD2 3.97Å; Y8-F115 AromaticContact CD1-CE2 3.46Å; Y8-F115 HydrophobicContact CD1-CE2 3.46Å; Y8-F115 VanDerWaalsContact CD1-CE2 3.46Å; Y8-F115 AromaticContact CE1-CD2 3.33Å; Y8-F115 HydrophobicContact CE1-CD2 3.33Å; Y8-F115 AromaticContact CE1-CE2 3.26Å; Y8-F115 HydrophobicContact CE1-CE2 3.26Å; Y8-F115 HydrophobicContact CE1-CZ 4.42Å; Y8-F115 HydrophobicContact CE2-CD2 4.28Å; Y8-F115 HydrophobicContact CG-CE2 4.24Å; Y8-F115 AromaticContact CZ-CD2 3.51Å; Y8-F115 AromaticContact CZ-CE2 3.93Å; Y8-F115 PolarHBondContact OH-O 3.32Å; R18-F115 HydrophobicContact CG-CE1 4.41Å; R18-F115 HydrophobicContact CG-CZ 4.17Å; T111-F115 WeakPolarHBondContact O-CB 3.5Å; T111-F115 PolarHBondContact O-N 3.38Å; N112-F115 WeakPolarHBondContact O-CB 3.33Å; N112-F115 PolarHBondContact O-N 2.94Å; F113-F115 VanDerWaalsContact C-N 3.3Å; F113-F115 PolarHBondContact O-N 2.9Å; F115-F117 VanDerWaalsContact C-N 3.3Å; F115-F117 PolarHBondContact O-N 2.78Å; F115-R118 PolarHBondContact O-N 3.11Å
116W93.6Very high94.8Very high70 Ų7051.2 Ų51.227%0.26525%0.247SC..Hα-helixtrans-70.7-27.6177.9-59.8-39.4000112.7L21 Q22 T25 N112 F113 R118L21-W116 HydrophobicContact CB-CD2 4.21Å; L21-W116 HydrophobicContact CB-CG 3.98Å; L21-W116 HydrophobicContact CD1-CZ2 3.85Å; Q22-W116 VanDerWaalsContact CA-O 3.3Å; Q22-W116 WeakPolarHBondContact CA-O 3.29Å; Q22-W116 WeakPolarHBondContact CB-O 3.36Å; Q22-W116 VanDerWaalsContact CG-O 3.26Å; Q22-W116 WeakPolarHBondContact CG-O 2.92Å; T25-W116 HydrophobicContact CG2-CB 4.26Å; T25-W116 WeakPolarHBondContact OG1-CB 2.96Å; N112-W116 HydrophobicContact CB-CE3 4.29Å; N112-W116 HydrophobicContact CB-CH2 3.69Å; N112-W116 HydrophobicContact CB-CZ2 3.93Å; N112-W116 HydrophobicContact CB-CZ3 3.87Å; N112-W116 VanDerWaalsContact O-CE3 3.32Å; N112-W116 VanDerWaalsContact O-CG 3.31Å; N112-W116 PolarHBondContact O-N 2.98Å; F113-W116 PolarHBondContact O-N 3.36Å; W116-R118 PolarHBondContact O-N 2.92Å
117F95.1Very high94.7Very high3 Ų354 Ų541%0.01325%0.248CC..THydrogen-bonded Turntrans-86.920.9173.3-158.2-114.9000113.5T25 Y26 M29 F76 F113 F114 F115 G119T25-F117 HydrophobicContact CG2-CB 3.96Å; T25-F117 HydrophobicContact CG2-CD2 4.03Å; T25-F117 HydrophobicContact CG2-CG 4.42Å; Y26-F117 HydrophobicContact CD1-CD2 4.05Å; Y26-F117 AromaticContact CD1-CE2 3.51Å; Y26-F117 HydrophobicContact CD1-CE2 3.51Å; Y26-F117 HydrophobicContact CD1-CZ 4.24Å; Y26-F117 AromaticContact CD2-CD2 3.89Å; Y26-F117 HydrophobicContact CD2-CD2 3.89Å; Y26-F117 HydrophobicContact CD2-CE2 4.22Å; Y26-F117 AromaticContact CE1-CD2 3.96Å; Y26-F117 HydrophobicContact CE1-CD2 3.96Å; Y26-F117 AromaticContact CE1-CE2 3.46Å; Y26-F117 HydrophobicContact CE1-CE2 3.46Å; Y26-F117 VanDerWaalsContact CE1-CE2 3.46Å; Y26-F117 AromaticContact CE1-CZ 3.83Å; Y26-F117 HydrophobicContact CE1-CZ 3.83Å; Y26-F117 AromaticContact CE2-CD2 3.81Å; Y26-F117 HydrophobicContact CE2-CD2 3.81Å; Y26-F117 HydrophobicContact CE2-CE2 4.19Å; Y26-F117 HydrophobicContact CE2-CG 4.3Å; Y26-F117 HydrophobicContact CG-CD2 4.02Å; Y26-F117 AromaticContact CG-CE2 3.9Å; Y26-F117 HydrophobicContact CG-CE2 3.9Å; Y26-F117 AromaticContact CZ-CD2 3.83Å; Y26-F117 AromaticContact CZ-CE2 3.82Å; Y26-F117 PolarHBondContact OH-O 3.43Å; M29-F117 HydrophobicContact CB-CD2 4.25Å; M29-F117 HydrophobicContact CB-CE2 3.74Å; M29-F117 HydrophobicContact CB-CZ 4.24Å; M29-F117 HydrophobicContact CG-CE2 4.01Å; M29-F117 HydrophobicContact CG-CZ 4.01Å; F76-F117 AromaticContact CD1-CD1 3.99Å; F76-F117 HydrophobicContact CD1-CD1 3.99Å; F76-F117 AromaticContact CD1-CE1 3.34Å; F76-F117 HydrophobicContact CD1-CE1 3.34Å; F76-F117 AromaticContact CD1-CZ 3.8Å; F76-F117 HydrophobicContact CD1-CZ 3.8Å; F76-F117 AromaticContact CE1-CD1 3.51Å; F76-F117 HydrophobicContact CE1-CD1 3.51Å; F76-F117 AromaticContact CE1-CE1 3.38Å; F76-F117 HydrophobicContact CE1-CE1 3.38Å; F76-F117 HydrophobicContact CE1-CG 4.39Å; F76-F117 HydrophobicContact CE1-CZ 4.18Å; F113-F117 WeakPolarHBondContact O-CB 3.4Å; F113-F117 PolarHBondContact O-N 2.96Å; F114-F117 CarbonylContact O-C 3.53Å; F114-F117 PolarHBondContact O-N 2.84Å; F115-F117 VanDerWaalsContact C-N 3.3Å; F115-F117 PolarHBondContact O-N 2.78Å; F117-G119 PolarHBondContact O-N 3.24Å
118R95.5Very high94.4Very high12 Ų1253.4 Ų53.45%0.04524%0.243CC..THydrogen-bonded Turntrans56.636.1176.3-65.6166.170.7125.5-20.7113.6Y26 V91 C94 W96 C97 F114 F115 W116Y26-R118 HydrophobicContact CE2-CB 4.05Å; Y26-R118 HydrophobicContact CE2-CG 3.85Å; V91-R118 PolarHBondContact O-NH1 3.36Å; C94-R118 PolarHBondContact O-NE 3.17Å; C94-R118 PolarHBondContact O-NH2 3.14Å; W96-R118 WeakPolarHBondContact CA-O 3.42Å; W96-R118 HydrophobicContact CD2-CB 3.75Å; W96-R118 HydrophobicContact CD2-CG 4.1Å; W96-R118 VanDerWaalsContact CE2-CZ 3.46Å; W96-R118 VanDerWaalsContact CE2-NE 3.32Å; W96-R118 HydrophobicContact CE3-CB 3.55Å; W96-R118 HydrophobicContact CE3-CG 4.06Å; W96-R118 HydrophobicContact CG-CB 4.25Å; W96-R118 HydrophobicContact CH2-CB 4.45Å; W96-R118 HydrophobicContact CH2-CG 4.08Å; W96-R118 HydrophobicContact CZ2-CG 4.11Å; W96-R118 HydrophobicContact CZ3-CB 3.92Å; W96-R118 HydrophobicContact CZ3-CG 4.04Å; C97-R118 PolarHBondContact N-O 2.93Å; F114-R118 PolarHBondContact O-N 3.17Å; F115-R118 PolarHBondContact O-N 3.11Å; W116-R118 PolarHBondContact O-N 2.92Å
119G96.8Very high93.9Very high2 Ų254.7 Ų54.72%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-73.9126.416900000111.3Y8 C97 Y105 F114 F117Y8-G119 PolarHBondContact OH-O 2.94Å; C97-G119 CarbonylContact O-C 3.57Å; C97-G119 WeakPolarHBondContact O-CA 3.2Å; Y105-G119 PolarHBondContact OH-O 3.49Å; F114-G119 VanDerWaalsContact O-CA 3.31Å; F114-G119 WeakPolarHBondContact O-CA 3.35Å; F114-G119 PolarHBondContact O-N 3.43Å; F117-G119 PolarHBondContact O-N 3.24Å
120V97.2Very high93.7Very high0 Ų055.3 Ų55.30%026%0.258CS..EExtended strand (participates in β ladder)trans-99.1114.8173.2-178.60000107.6V4 W96 C97 L98 T99 I122 F148 L152V4-V120 HydrophobicContact CG2-CG1 4Å; W96-V120 HydrophobicContact CB-CG2 4.3Å; W96-V120 HydrophobicContact CE3-CG2 3.9Å; C97-V120 PolarHBondContact O-N 2.92Å; L98-V120 WeakPolarHBondContact CA-O 3.25Å; L98-V120 HydrophobicContact CD2-CB 4.06Å; L98-V120 HydrophobicContact CD2-CG1 3.97Å; T99-V120 PolarHBondContact N-O 3.43Å; T99-V120 PolarHBondContact OG1-O 3.29Å; V120-I122 PolarHBondContact O-N 3.16Å; V120-F148 HydrophobicContact CG1-CD1 4Å; V120-F148 HydrophobicContact CG2-CD1 3.95Å; V120-F148 HydrophobicContact CG2-CE1 3.96Å; V120-L152 HydrophobicContact CG2-CD1 4.3Å
121P96.9Very high93.7Very high0 Ų055 Ų550%026%0.264CS..EExtended strand (participates in β ladder)trans-66.2115.2-174.924.7-32.7000110.8L3 V4 L7 T99 V101 Y105 S145L3-P121 HydrophobicContact CB-CG 4.26Å; L3-P121 HydrophobicContact CD2-CB 3.72Å; L3-P121 HydrophobicContact CD2-CG 4.17Å; L3-P121 HydrophobicContact CG-CB 4.08Å; L3-P121 HydrophobicContact CG-CG 3.95Å; V4-P121 HydrophobicContact CB-CG 3.83Å; V4-P121 HydrophobicContact CG2-CG 4.42Å; L7-P121 HydrophobicContact CD1-CG 4.13Å; T99-P121 CarbonylContact O-C 3.54Å; T99-P121 WeakPolarHBondContact O-CA 3.34Å; V101-P121 HydrophobicContact CG2-CB 3.64Å; Y105-P121 HydrophobicContact CD2-CB 4.04Å; Y105-P121 HydrophobicContact CE1-CB 4.18Å; Y105-P121 HydrophobicContact CE2-CB 3.64Å; Y105-P121 HydrophobicContact CG-CB 4.44Å; P121-S145 WeakPolarHBondContact O-CB 3.32Å; P121-S145 PolarHBondContact O-OG 3.48Å
122I96.5Very high93.5Very high26 Ų2655.4 Ų55.413%0.13327%0.274CS..EExtended strand (participates in β ladder)trans-106.6128178.1-164.577.8000111.1L98 T99 V101 V120 R124 Q143 M146L98-I122 HydrophobicContact CB-CB 4.33Å; L98-I122 HydrophobicContact CB-CG2 4.22Å; L98-I122 HydrophobicContact CD2-CB 4.25Å; L98-I122 HydrophobicContact CD2-CD1 3.95Å; L98-I122 HydrophobicContact CD2-CG1 4.47Å; T99-I122 PolarHBondContact O-N 3.5Å; V101-I122 PolarHBondContact N-O 3.45Å; V101-I122 VanDerWaalsContact N-O 3.08Å; V120-I122 PolarHBondContact O-N 3.16Å; I122-R124 PolarHBondContact O-N 3.48Å; I122-Q143 HydrophobicContact CD1-CG 3.94Å; I122-Q143 VanDerWaalsContact CD1-OE1 3.31Å; I122-M146 HydrophobicContact CD1-CG 4.07Å; I122-M146 HydrophobicContact CD1-SD 3.8Å
123W95.4Very high93.6Very high104 Ų10459.3 Ų59.339%0.39429%0.287SS..  trans-84.4100.5174-61.997.2000109.1D2 L3 V101 G138 G139 Q143D2-W123 PolarHBondContact OD1-NE1 2.92Å; D2-W123 VanDerWaalsContact OD1-NE1 3.09Å; L3-W123 HydrophobicContact CB-CZ2 4.42Å; V101-W123 HydrophobicContact CB-CD2 4.16Å; V101-W123 HydrophobicContact CB-CE3 3.98Å; V101-W123 HydrophobicContact CB-CZ3 4.17Å; V101-W123 HydrophobicContact CG1-CD2 4.27Å; V101-W123 HydrophobicContact CG1-CE3 3.87Å; V101-W123 HydrophobicContact CG1-CH2 3.61Å; V101-W123 HydrophobicContact CG1-CZ2 4.01Å; V101-W123 HydrophobicContact CG1-CZ3 3.53Å; V101-W123 HydrophobicContact CG2-CD2 3.88Å; V101-W123 HydrophobicContact CG2-CE3 4.23Å; V101-W123 HydrophobicContact CG2-CG 4.22Å; V101-W123 HydrophobicContact CG2-CZ2 4.36Å; W123-G138 WeakPolarHBondContact O-CA 3.49Å; W123-G139 PolarHBondContact O-N 2.83Å; W123-Q143 PolarHBondContact O-NE2 3Å; W123-Q143 VanDerWaalsContact O-NE2 3.1Å
124R94.1Very high93.5Very high65 Ų6559.8 Ų59.825%0.24529%0.291CS..  trans-95.9160.3178.469.1-176.1-173.4103.1-3.1111.5A100 D102 I122 V126 G138A100-R124 HydrophobicContact CB-CG 4.45Å; D102-R124 IonicContact OD1-CZ 2.7Å; D102-R124 IonicContact OD1-NE 2.84Å; D102-R124 PolarHBondContact OD1-NE 3.47Å; D102-R124 IonicContact OD1-NH2 2.68Å; D102-R124 IonicContact OD2-CZ 3.85Å; D102-R124 VanDerWaalsContact OD2-CZ 3.28Å; D102-R124 IonicContact OD2-NE 2.86Å; D102-R124 PolarHBondContact OD2-NE 2.8Å; D102-R124 IonicContact OD2-NH2 3.2Å; D102-R124 PolarHBondContact OD2-NH2 3.12Å; I122-R124 PolarHBondContact O-N 3.48Å; R124-V126 HydrophobicContact CG-CG2 4Å; R124-G138 VanDerWaalsContact C-CA 3.48Å; R124-G138 VanDerWaalsContact O-CA 3.29Å; R124-G138 WeakPolarHBondContact O-CA 3.45Å
125R92.6Very high93.3Very high120 Ų12061.9 Ų61.945%0.45331%0.307SS..  trans-73.5130.6168.2-174.7-178.9-64-97.60109.3I134 H136R125-I134 HydrophobicContact CG-CG2 4.31Å; R125-H136 CarbonylContact C-O 3.56Å; R125-H136 VanDerWaalsContact CA-O 3.26Å; R125-H136 WeakPolarHBondContact CA-O 3.31Å; R125-H136 WeakPolarHBondContact CG-O 3.29Å
126V92Very high93.2Very high20 Ų2066 Ų6612%0.12133%0.326CS..EExtended strand (participates in β ladder)trans-120.6139.4178.2-171.90000109D102 R124 I134 T135 H136D102-V126 HydrophobicContact CB-CG2 4.41Å; R124-V126 HydrophobicContact CG-CG2 4Å; V126-I134 WeakPolarHBondContact O-CA 3.23Å; V126-T135 WeakPolarHBondContact CG1-OG1 3.47Å; V126-T135 PolarHBondContact O-N 3.3Å; V126-T135 PolarHBondContact O-OG1 3.03Å; V126-H136 HydrophobicContact CB-CB 4.01Å; V126-H136 HydrophobicContact CG2-CB 4.03Å; V126-H136 PolarHBondContact N-O 3.06Å; V126-H136 PolarHBondContact O-N 2.94Å
127R91.8Very high93.1Very high145 Ų14569.8 Ų69.855%0.54734%0.344SS..EExtended strand (participates in β ladder)trans-119.4142.9172.8-68.4179.2179.3-87.72.9108.9G132 K133 I134R127-G132 PolarHBondContact NH1-O 2.83Å; R127-K133 CarbonylContact C-O 3.52Å; R127-K133 WeakPolarHBondContact CA-O 3.35Å; R127-I134 HydrophobicContact CG-CG1 4.19Å
128D89.5Confident92.9Very high51 Ų5171.2 Ų71.227%0.27336%0.359SS..  trans-64.6126.2168.6175.5-116.2000109.4L130 S131 G132 K133 T135D128-L130 PolarHBondContact O-N 2.87Å; D128-L130 PolarHBondContact OD1-N 2.77Å; D128-S131 WeakPolarHBondContact CB-OG 3.43Å; D128-S131 VanDerWaalsContact OD1-CB 3.25Å; D128-S131 WeakPolarHBondContact OD1-CB 3.34Å; D128-S131 PolarHBondContact OD1-N 2.82Å; D128-S131 PolarHBondContact OD1-OG 2.84Å; D128-G132 VanDerWaalsContact O-CA 3.24Å; D128-G132 WeakPolarHBondContact O-CA 3.42Å; D128-G132 PolarHBondContact O-N 2.86Å; D128-K133 PolarHBondContact N-O 3Å; D128-T135 HydrophobicContact CB-CG2 3.91Å
129P83.7Confident92.8Very high123 Ų12372.3 Ų72.380%0.79937%0.374SS*.THydrogen-bonded Turntrans-62.6-29.2-176.7-24.334000114
130L89Confident92.6Very high168 Ų16874.6 Ų74.688%0.8840%0.399SS*.THydrogen-bonded Turntrans-85.6-47.8-175.1-62.8175.8000112.2D128D128-L130 PolarHBondContact O-N 2.87Å; D128-L130 PolarHBondContact OD1-N 2.77Å
131S94.2Very high92.5Very high67 Ų6776.2 Ų76.247%0.46941%0.408SS..THydrogen-bonded Turntrans-95.6-13.4-175.367.20000114D128 K133D128-S131 WeakPolarHBondContact CB-OG 3.43Å; D128-S131 VanDerWaalsContact OD1-CB 3.25Å; D128-S131 WeakPolarHBondContact OD1-CB 3.34Å; D128-S131 PolarHBondContact OD1-N 2.82Å; D128-S131 PolarHBondContact OD1-OG 2.84Å; S131-K133 PolarHBondContact O-N 3.43Å; S131-K133 PolarHBondContact OG-N 3.13Å
132G91.1Very high92.4Very high33 Ų3380.8 Ų80.834%0.3443%0.426SS..  trans68.4-1.7-174.700000114.8R127 D128R127-G132 PolarHBondContact NH1-O 2.83Å; D128-G132 VanDerWaalsContact O-CA 3.24Å; D128-G132 WeakPolarHBondContact O-CA 3.42Å; D128-G132 PolarHBondContact O-N 2.86Å
133K95.1Very high92.4Very high153 Ų15380 Ų8067%0.66542%0.422SS*.  trans-66.6143-179.1-69.3-176.4179.5178.20110.6R127 D128 S131 T135R127-K133 CarbonylContact C-O 3.52Å; R127-K133 WeakPolarHBondContact CA-O 3.35Å; D128-K133 PolarHBondContact N-O 3Å; S131-K133 PolarHBondContact O-N 3.43Å; S131-K133 PolarHBondContact OG-N 3.13Å; K133-T135 PolarHBondContact O-N 3.42Å
134I93.4Very high92.4Very high54 Ų5477.2 Ų77.228%0.27742%0.417SS..EExtended strand (participates in β ladder)trans-70.9118.8174.9-66154.8000108.1R125 V126 R127 H136 F137R125-I134 HydrophobicContact CG-CG2 4.31Å; V126-I134 WeakPolarHBondContact O-CA 3.23Å; R127-I134 HydrophobicContact CG-CG1 4.19Å; I134-H136 WeakPolarHBondContact CG2-O 3.27Å; I134-F137 HydrophobicContact CD1-CE1 4.39Å; I134-F137 HydrophobicContact CG2-CD1 4Å; I134-F137 HydrophobicContact CG2-CD2 4.37Å; I134-F137 HydrophobicContact CG2-CE1 4.14Å; I134-F137 HydrophobicContact CG2-CE2 4.5Å; I134-F137 HydrophobicContact CG2-CG 4.12Å; I134-F137 HydrophobicContact CG2-CZ 4.38Å
135T92.6Very high92.5Very high74 Ų7474.1 Ų74.145%0.45441%0.405SS..EExtended strand (participates in β ladder)trans-93.8-31.3174.851.80000111.6V126 D128 K133V126-T135 WeakPolarHBondContact CG1-OG1 3.47Å; V126-T135 PolarHBondContact O-N 3.3Å; V126-T135 PolarHBondContact O-OG1 3.03Å; D128-T135 HydrophobicContact CB-CG2 3.91Å; K133-T135 PolarHBondContact O-N 3.42Å
136H91.1Very high92.7Very high97 Ų9768.7 Ų68.745%0.44939%0.385SS..EExtended strand (participates in β ladder)trans-135.5129173-62.5-77000110.1R125 V126 I134 G138R125-H136 CarbonylContact C-O 3.56Å; R125-H136 VanDerWaalsContact CA-O 3.26Å; R125-H136 WeakPolarHBondContact CA-O 3.31Å; R125-H136 WeakPolarHBondContact CG-O 3.29Å; V126-H136 HydrophobicContact CB-CB 4.01Å; V126-H136 HydrophobicContact CG2-CB 4.03Å; V126-H136 PolarHBondContact N-O 3.06Å; V126-H136 PolarHBondContact O-N 2.94Å; I134-H136 WeakPolarHBondContact CG2-O 3.27Å; H136-G138 VanDerWaalsContact C-N 3.31Å; H136-G138 PolarHBondContact O-N 3.16Å
137F91.1Very high93Very high149 Ų14970.2 Ų70.265%0.65439%0.393SS*.  trans-73.5-22.7179.8-73.6-85.5000113.4I134I134-F137 HydrophobicContact CD1-CE1 4.39Å; I134-F137 HydrophobicContact CG2-CD1 4Å; I134-F137 HydrophobicContact CG2-CD2 4.37Å; I134-F137 HydrophobicContact CG2-CE1 4.14Å; I134-F137 HydrophobicContact CG2-CE2 4.5Å; I134-F137 HydrophobicContact CG2-CG 4.12Å; I134-F137 HydrophobicContact CG2-CZ 4.38Å
138G91.7Very high93.2Very high32 Ų3264.5 Ų64.533%0.3337%0.372SS..  trans76.4174.7-172.300000112.8W123 R124 H136W123-G138 WeakPolarHBondContact O-CA 3.49Å; R124-G138 VanDerWaalsContact C-CA 3.48Å; R124-G138 VanDerWaalsContact O-CA 3.29Å; R124-G138 WeakPolarHBondContact O-CA 3.45Å; H136-G138 VanDerWaalsContact C-N 3.31Å; H136-G138 PolarHBondContact O-N 3.16Å
139G92.8Very high93.6Very high35 Ų3562.1 Ų62.136%0.36136%0.359SS..  trans-90.4-6.6179.900000114.5W123W123-G139 PolarHBondContact O-N 2.83Å
140G93.4Very high94.3Very high51 Ų5156.8 Ų56.853%0.52632%0.324SS..  trans71.9-164.7-17400000113.4Q143G140-Q143 PolarHBondContact O-NE2 3.09Å
141V94.8Very high94.6Very high34 Ų3453.1 Ų53.121%0.20631%0.305CS..SBendtrans-77.5-32.4-177.8175.50000111.8Q143 M146 W183 R187V141-Q143 VanDerWaalsContact C-N 3.33Å; V141-Q143 PolarHBondContact O-N 3.36Å; V141-M146 WeakPolarHBondContact O-CG 3.5Å; V141-W183 HydrophobicContact CG2-CB 3.95Å; V141-R187 HydrophobicContact CG1-CB 3.97Å; V141-R187 HydrophobicContact CG1-CG 4.34Å; V141-R187 PolarHBondContact O-NH1 3.37Å
142Y95Very high94.8Very high95 Ų9550.7 Ų50.737%0.37329%0.287SS..SBendtrans-97.552.6179.7-59-78.1000111.2R262 H266Y142-R262 WeakPolarHBondContact OH-CB 3.45Å; Y142-H266 AromaticContact CZ-CE1 3.85Å; Y142-H266 PolarHBondContact OH-CE1 2.85Å; Y142-H266 VanDerWaalsContact OH-CE1 3.27Å
143Q95.4Very high95.1Very high10 Ų1049.1 Ų49.15%0.04727%0.271CS..  trans-98.3152.7173.567-177.1-78.400111I122 W123 G140 V141 S145 M146 D147I122-Q143 HydrophobicContact CD1-CG 3.94Å; I122-Q143 VanDerWaalsContact CD1-OE1 3.31Å; W123-Q143 PolarHBondContact O-NE2 3Å; W123-Q143 VanDerWaalsContact O-NE2 3.1Å; G140-Q143 PolarHBondContact O-NE2 3.09Å; V141-Q143 VanDerWaalsContact C-N 3.33Å; V141-Q143 PolarHBondContact O-N 3.36Å; Q143-S145 PolarHBondContact O-N 3.22Å; Q143-S145 VanDerWaalsContact O-N 3.08Å; Q143-M146 HydrophobicContact CG-CB 4.36Å; Q143-M146 HydrophobicContact CG-CG 3.72Å; Q143-M146 WeakPolarHBondContact O-CB 3.38Å; Q143-M146 PolarHBondContact O-N 3.18Å; Q143-D147 PolarHBondContact O-N 3.32Å
144P95.9Very high95.2Very high45 Ų4544.3 Ų44.329%0.29225%0.252SS..Hα-helixtrans-64.3-24.4-171.4-1628.6000113.3D2 V4 Y5 M146 D147 F148D2-P144 HydrophobicContact CB-CB 3.8Å; D2-P144 HydrophobicContact CB-CG 3.67Å; D2-P144 WeakPolarHBondContact OD2-CB 3.35Å; D2-P144 VanDerWaalsContact OD2-CD 3.26Å; D2-P144 WeakPolarHBondContact OD2-CD 3.32Å; D2-P144 WeakPolarHBondContact OD2-CG 3.44Å; V4-P144 HydrophobicContact CG1-CB 4.28Å; Y5-P144 HydrophobicContact CD2-CB 4.02Å; Y5-P144 HydrophobicContact CE2-CB 3.62Å; P144-M146 VanDerWaalsContact C-N 3.31Å; P144-M146 PolarHBondContact O-N 2.9Å; P144-D147 WeakPolarHBondContact O-CB 3.32Å; P144-D147 PolarHBondContact O-N 2.95Å; P144-F148 PolarHBondContact O-N 3.05Å
145S96.4Very high95.3Very high0 Ų045 Ų450%026%0.262CS..Hα-helixtrans-64.9-31171.4-54.40000114.4P121 Q143 C149P121-S145 WeakPolarHBondContact O-CB 3.32Å; P121-S145 PolarHBondContact O-OG 3.48Å; Q143-S145 PolarHBondContact O-N 3.22Å; Q143-S145 VanDerWaalsContact O-N 3.08Å; S145-C149 PolarHBondContact O-N 3.3Å; S145-C149 VanDerWaalsContact O-N 3.14Å; S145-C149 PolarHBondContact O-SG 3.47Å
146M97.4Very high95.5Very high6 Ų641.5 Ų41.53%0.0324%0.241CC..Hα-helixtrans-73.9-38.1173.3-66.1-61.5-59.200110.5L98 I122 V141 Q143 P144 F148 C149 I150 G184 L188L98-M146 HydrophobicContact CD1-SD 4.13Å; L98-M146 HydrophobicContact CD2-SD 4.48Å; I122-M146 HydrophobicContact CD1-CG 4.07Å; I122-M146 HydrophobicContact CD1-SD 3.8Å; V141-M146 WeakPolarHBondContact O-CG 3.5Å; Q143-M146 HydrophobicContact CG-CB 4.36Å; Q143-M146 HydrophobicContact CG-CG 3.72Å; Q143-M146 WeakPolarHBondContact O-CB 3.38Å; Q143-M146 PolarHBondContact O-N 3.18Å; P144-M146 VanDerWaalsContact C-N 3.31Å; P144-M146 PolarHBondContact O-N 2.9Å; M146-F148 VanDerWaalsContact C-N 3.35Å; M146-C149 WeakPolarHBondContact O-CB 3.45Å; M146-C149 PolarHBondContact O-N 2.89Å; M146-C149 VanDerWaalsContact O-N 3.17Å; M146-I150 WeakPolarHBondContact O-CG1 3.24Å; M146-I150 PolarHBondContact O-N 3.2Å; M146-G184 WeakPolarHBondContact CE-O 3.34Å; M146-L188 HydrophobicContact CE-CD1 4.02Å; M146-L188 HydrophobicContact CE-CD2 3.64Å; M146-L188 HydrophobicContact CE-CG 3.55Å
147D96.9Very high95.8Very high53 Ų5339 Ų3928%0.28323%0.229SC..Hα-helixtrans-62.2-44.8174.8-53.6-22.8000110.5Q143 P144 C149 I150 D151 R187Q143-D147 PolarHBondContact O-N 3.32Å; P144-D147 WeakPolarHBondContact O-CB 3.32Å; P144-D147 PolarHBondContact O-N 2.95Å; D147-C149 VanDerWaalsContact C-N 3.3Å; D147-C149 PolarHBondContact O-N 3.39Å; D147-I150 WeakPolarHBondContact O-CB 3.34Å; D147-I150 PolarHBondContact O-N 2.94Å; D147-D151 PolarHBondContact O-N 3.47Å; D147-R187 IonicContact OD1-CZ 2.96Å; D147-R187 IonicContact OD1-NH1 3.34Å; D147-R187 PolarHBondContact OD1-NH1 2.76Å; D147-R187 IonicContact OD1-NH2 2.68Å; D147-R187 PolarHBondContact OD1-NH2 3.22Å
148F96.5Very high96.1Very high25 Ų2532.3 Ų32.311%0.1120%0.2CC..Hα-helixtrans-58.4-40.2173-176.3-99000112.6V4 Y5 Y8 W96 V120 P144 M146 I150 D151 L152V4-F148 HydrophobicContact CG1-CB 4.4Å; V4-F148 HydrophobicContact CG2-CB 3.65Å; V4-F148 HydrophobicContact CG2-CD1 3.59Å; V4-F148 HydrophobicContact CG2-CD2 3.96Å; V4-F148 HydrophobicContact CG2-CE1 4.19Å; V4-F148 HydrophobicContact CG2-CG 3.45Å; V4-F148 VanDerWaalsContact CG2-CG 3.45Å; Y5-F148 HydrophobicContact CE1-CD2 4.29Å; Y8-F148 HydrophobicContact CD1-CZ 4.15Å; Y8-F148 AromaticContact CD2-CE1 3.98Å; Y8-F148 HydrophobicContact CD2-CE1 3.98Å; Y8-F148 HydrophobicContact CD2-CE2 4.2Å; Y8-F148 AromaticContact CD2-CZ 3.7Å; Y8-F148 HydrophobicContact CD2-CZ 3.7Å; Y8-F148 HydrophobicContact CE2-CE1 4.27Å; Y8-F148 HydrophobicContact CE2-CZ 4.35Å; Y8-F148 HydrophobicContact CG-CE1 4.33Å; Y8-F148 HydrophobicContact CG-CE2 4.03Å; Y8-F148 AromaticContact CG-CZ 3.61Å; Y8-F148 HydrophobicContact CG-CZ 3.61Å; W96-F148 HydrophobicContact CE3-CE1 4.2Å; W96-F148 HydrophobicContact CH2-CZ 4.41Å; W96-F148 HydrophobicContact CZ3-CE1 4.07Å; W96-F148 HydrophobicContact CZ3-CZ 4.28Å; V120-F148 HydrophobicContact CG1-CD1 4Å; V120-F148 HydrophobicContact CG2-CD1 3.95Å; V120-F148 HydrophobicContact CG2-CE1 3.96Å; P144-F148 PolarHBondContact O-N 3.05Å; M146-F148 VanDerWaalsContact C-N 3.35Å; F148-I150 VanDerWaalsContact C-N 3.33Å; F148-I150 PolarHBondContact O-N 3.37Å; F148-D151 PolarHBondContact O-N 2.95Å; F148-L152 HydrophobicContact CD1-CD1 3.76Å; F148-L152 HydrophobicContact CD1-CG 4.17Å; F148-L152 HydrophobicContact CE1-CD1 3.47Å; F148-L152 VanDerWaalsContact CE1-CD1 3.47Å; F148-L152 HydrophobicContact CE1-CD2 4.25Å; F148-L152 HydrophobicContact CE1-CG 3.9Å; F148-L152 HydrophobicContact CZ-CD1 4.3Å; F148-L152 HydrophobicContact CZ-CD2 4.27Å; F148-L152 HydrophobicContact CZ-CG 4.32Å; F148-L152 WeakPolarHBondContact O-CG 3.1Å; F148-L152 PolarHBondContact O-N 2.88Å
149C97.8Very high96.5Very high0 Ų030.8 Ų30.80%018%0.184CC..Hα-helixtrans-65.6-36.3174.9-70.20000112.4L98 S145 M146 D147 D151 L152 L153 V159 L188L98-C149 VanDerWaalsContact CD2-SG 3.52Å; S145-C149 PolarHBondContact O-N 3.3Å; S145-C149 VanDerWaalsContact O-N 3.14Å; S145-C149 PolarHBondContact O-SG 3.47Å; M146-C149 WeakPolarHBondContact O-CB 3.45Å; M146-C149 PolarHBondContact O-N 2.89Å; M146-C149 VanDerWaalsContact O-N 3.17Å; D147-C149 VanDerWaalsContact C-N 3.3Å; D147-C149 PolarHBondContact O-N 3.39Å; C149-D151 VanDerWaalsContact C-N 3.35Å; C149-L152 WeakPolarHBondContact O-CB 3.3Å; C149-L152 PolarHBondContact O-N 2.77Å; C149-L153 VanDerWaalsContact O-CG 3.25Å; C149-L153 WeakPolarHBondContact O-CG 3.15Å; C149-L153 PolarHBondContact O-N 3.38Å; C149-V159 HydrophobicContact CB-CG1 4.5Å; C149-L188 HydrophobicContact CB-CD2 3.52Å
150I98Very high96.7Very high12 Ų1229.4 Ų29.46%0.06217%0.168CC..Hα-helixtrans-64.9-41.1174.4-68.3158.7000110.3M146 D147 F148 L152 L153 N154 R187 L188 E191M146-I150 WeakPolarHBondContact O-CG1 3.24Å; M146-I150 PolarHBondContact O-N 3.2Å; D147-I150 WeakPolarHBondContact O-CB 3.34Å; D147-I150 PolarHBondContact O-N 2.94Å; F148-I150 VanDerWaalsContact C-N 3.33Å; F148-I150 PolarHBondContact O-N 3.37Å; I150-L152 VanDerWaalsContact C-N 3.34Å; I150-L152 PolarHBondContact O-N 2.95Å; I150-L153 PolarHBondContact O-N 3.16Å; I150-N154 VanDerWaalsContact CG2-ND2 3.33Å; I150-N154 WeakPolarHBondContact CG2-ND2 3.47Å; I150-N154 VanDerWaalsContact O-CB 3.3Å; I150-N154 WeakPolarHBondContact O-CB 3.29Å; I150-N154 PolarHBondContact O-N 3.5Å; I150-N154 PolarHBondContact O-ND2 3.45Å; I150-R187 HydrophobicContact CD1-CG 4.31Å; I150-L188 HydrophobicContact CG1-CD2 4.01Å; I150-E191 HydrophobicContact CD1-CB 3.79Å; I150-E191 HydrophobicContact CD1-CG 4.44Å; I150-E191 WeakPolarHBondContact CD1-OE2 3.47Å; I150-E191 HydrophobicContact CG1-CB 4.18Å; I150-E191 HydrophobicContact CG2-CB 4.26Å
151D97Very high97Very high90 Ų9027.2 Ų27.248%0.48114%0.144SC..Hα-helixtrans-61.7-41.5174.3-68.1-26.7000111.9D147 F148 C149 N154 S155D147-D151 PolarHBondContact O-N 3.47Å; F148-D151 PolarHBondContact O-N 2.95Å; C149-D151 VanDerWaalsContact C-N 3.35Å; D151-N154 PolarHBondContact O-N 2.92Å; D151-S155 PolarHBondContact O-N 3.24Å; D151-S155 VanDerWaalsContact O-N 3.12Å; D151-S155 PolarHBondContact O-OG 3.25Å; D151-S155 VanDerWaalsContact O-OG 3.12Å
152L96.6Very high97.1Very high16 Ų1626.8 Ų26.88%0.08414%0.14CC..Hα-helixtrans-61-47.6173.1-70.9174.6000111.6W96 V120 F148 C149 I150 N154 S155 G156 Q157 V159W96-L152 HydrophobicContact CB-CD1 3.81Å; W96-L152 HydrophobicContact CD2-CD1 3.49Å; W96-L152 VanDerWaalsContact CD2-CD1 3.49Å; W96-L152 HydrophobicContact CD2-CD2 4.08Å; W96-L152 HydrophobicContact CD2-CG 4.44Å; W96-L152 HydrophobicContact CE3-CD1 3.94Å; W96-L152 HydrophobicContact CG-CD1 3.42Å; W96-L152 VanDerWaalsContact CG-CD1 3.42Å; W96-L152 HydrophobicContact CG-CD2 4.38Å; W96-L152 HydrophobicContact CG-CG 4.46Å; W96-L152 HydrophobicContact CZ2-CD2 3.9Å; V120-L152 HydrophobicContact CG2-CD1 4.3Å; F148-L152 HydrophobicContact CD1-CD1 3.76Å; F148-L152 HydrophobicContact CD1-CG 4.17Å; F148-L152 HydrophobicContact CE1-CD1 3.47Å; F148-L152 VanDerWaalsContact CE1-CD1 3.47Å; F148-L152 HydrophobicContact CE1-CD2 4.25Å; F148-L152 HydrophobicContact CE1-CG 3.9Å; F148-L152 HydrophobicContact CZ-CD1 4.3Å; F148-L152 HydrophobicContact CZ-CD2 4.27Å; F148-L152 HydrophobicContact CZ-CG 4.32Å; F148-L152 WeakPolarHBondContact O-CG 3.1Å; F148-L152 PolarHBondContact O-N 2.88Å; C149-L152 WeakPolarHBondContact O-CB 3.3Å; C149-L152 PolarHBondContact O-N 2.77Å; I150-L152 VanDerWaalsContact C-N 3.34Å; I150-L152 PolarHBondContact O-N 2.95Å; L152-N154 VanDerWaalsContact C-N 3.35Å; L152-N154 PolarHBondContact O-N 3.14Å; L152-S155 CarbonylContact O-C 3.59Å; L152-S155 PolarHBondContact O-N 3.46Å; L152-S155 VanDerWaalsContact O-N 3.13Å; L152-S155 PolarHBondContact O-OG 3.32Å; L152-G156 PolarHBondContact O-N 3.4Å; L152-Q157 HydrophobicContact CB-CB 4.12Å; L152-Q157 HydrophobicContact CB-CG 4.41Å; L152-Q157 HydrophobicContact CD2-CG 4.17Å; L152-Q157 WeakPolarHBondContact O-CB 3.49Å; L152-Q157 WeakPolarHBondContact O-CG 3.43Å; L152-Q157 PolarHBondContact O-N 3.19Å; L152-V159 HydrophobicContact CB-CG2 4.26Å
153L98.1Very high97.2Very high0 Ų022.7 Ų22.70%013%0.125CC..Hα-helixtrans-62.4-43.5178.6-70.6168.8000111.3P62 I64 C149 I150 S155 G156 V159 L188P62-L153 HydrophobicContact CB-CB 3.92Å; P62-L153 HydrophobicContact CB-CD2 3.7Å; P62-L153 HydrophobicContact CB-CG 4.42Å; P62-L153 WeakPolarHBondContact CB-O 3.31Å; P62-L153 HydrophobicContact CG-CB 4.48Å; P62-L153 VanDerWaalsContact CG-O 3.31Å; P62-L153 WeakPolarHBondContact CG-O 3.33Å; I64-L153 HydrophobicContact CD1-CD1 3.83Å; I64-L153 HydrophobicContact CD1-CD2 4.18Å; I64-L153 HydrophobicContact CG1-CD1 4.04Å; I64-L153 HydrophobicContact CG1-CD2 3.53Å; I64-L153 HydrophobicContact CG1-CG 4.46Å; C149-L153 VanDerWaalsContact O-CG 3.25Å; C149-L153 WeakPolarHBondContact O-CG 3.15Å; C149-L153 PolarHBondContact O-N 3.38Å; I150-L153 PolarHBondContact O-N 3.16Å; L153-S155 PolarHBondContact O-N 2.67Å; L153-S155 VanDerWaalsContact O-N 3.15Å; L153-G156 WeakPolarHBondContact O-CA 3.36Å; L153-G156 PolarHBondContact O-N 3.39Å; L153-V159 HydrophobicContact CD1-CG2 4.49Å; L153-V159 HydrophobicContact CD2-CB 4.06Å; L153-V159 HydrophobicContact CD2-CG2 3.78Å; L153-V159 HydrophobicContact CG-CB 4.45Å; L153-V159 HydrophobicContact CG-CG2 3.84Å; L153-L188 HydrophobicContact CD1-CB 3.87Å; L153-L188 HydrophobicContact CD1-CD2 3.93Å; L153-L188 HydrophobicContact CD1-CG 4.34Å
154N97.7Very high97.2Very high52 Ų5222.2 Ų22.228%0.27812%0.123SC..Hα-helixtrans-66.3-14177-71.6-27.1000113.9I150 D151 L152 K193I150-N154 VanDerWaalsContact CG2-ND2 3.33Å; I150-N154 WeakPolarHBondContact CG2-ND2 3.47Å; I150-N154 VanDerWaalsContact O-CB 3.3Å; I150-N154 WeakPolarHBondContact O-CB 3.29Å; I150-N154 PolarHBondContact O-N 3.5Å; I150-N154 PolarHBondContact O-ND2 3.45Å; D151-N154 PolarHBondContact O-N 2.92Å; L152-N154 VanDerWaalsContact C-N 3.35Å; L152-N154 PolarHBondContact O-N 3.14Å; N154-K193 HydrophobicContact CB-CD 4.37Å; N154-K193 WeakPolarHBondContact OD1-CB 3.4Å; N154-K193 WeakPolarHBondContact OD1-CG 3.28Å; N154-K193 PolarHBondContact OD1-N 2.88Å
155S96.1Very high97.1Very high69 Ų6921.4 Ų21.448%0.48312%0.122SC..THydrogen-bonded Turntrans-98.816.3168.858.60000113.1D151 L152 L153 Q157D151-S155 PolarHBondContact O-N 3.24Å; D151-S155 VanDerWaalsContact O-N 3.12Å; D151-S155 PolarHBondContact O-OG 3.25Å; D151-S155 VanDerWaalsContact O-OG 3.12Å; L152-S155 CarbonylContact O-C 3.59Å; L152-S155 PolarHBondContact O-N 3.46Å; L152-S155 VanDerWaalsContact O-N 3.13Å; L152-S155 PolarHBondContact O-OG 3.32Å; L153-S155 PolarHBondContact O-N 2.67Å; L153-S155 VanDerWaalsContact O-N 3.15Å; S155-Q157 VanDerWaalsContact C-N 3.28Å; S155-Q157 PolarHBondContact O-N 3.08Å; S155-Q157 WeakPolarHBondContact OG-CG 3.28Å
156G96.5Very high96.9Very high1 Ų125.3 Ų25.31%0.0114%0.137CC..THydrogen-bonded Turntrans70.221.1176.600000114R57 S59 L152 L153R57-G156 PolarHBondContact NH1-O 2.83Å; R57-G156 PolarHBondContact NH2-O 3.46Å; S59-G156 WeakPolarHBondContact O-CA 3.39Å; L152-G156 PolarHBondContact O-N 3.4Å; L153-G156 WeakPolarHBondContact O-CA 3.36Å; L153-G156 PolarHBondContact O-N 3.39Å
157Q97.1Very high96.8Very high45 Ų4526.6 Ų26.621%0.2114%0.143CC..  trans-78.6169.1177.8-59-69.9-6000111.6L63 L152 S155L63-Q157 PolarHBondContact N-O 3.28Å; L152-Q157 HydrophobicContact CB-CB 4.12Å; L152-Q157 HydrophobicContact CB-CG 4.41Å; L152-Q157 HydrophobicContact CD2-CG 4.17Å; L152-Q157 WeakPolarHBondContact O-CB 3.49Å; L152-Q157 WeakPolarHBondContact O-CG 3.43Å; L152-Q157 PolarHBondContact O-N 3.19Å; S155-Q157 VanDerWaalsContact C-N 3.28Å; S155-Q157 PolarHBondContact O-N 3.08Å; S155-Q157 WeakPolarHBondContact OG-CG 3.28Å
158W98Very high96.8Very high8 Ų824 Ų243%0.0313%0.13CC..EExtended strand (participates in β ladder)trans-100.4124.2174.5172.821000110.8F50 I54 L63 T65 L83 V93 R95 W96F50-W158 HydrophobicContact CE1-CH2 4.14Å; F50-W158 HydrophobicContact CE2-CH2 4.32Å; F50-W158 AromaticContact CE2-CZ2 3.93Å; F50-W158 HydrophobicContact CE2-CZ2 3.93Å; F50-W158 AromaticContact CZ-CH2 3.39Å; F50-W158 HydrophobicContact CZ-CH2 3.39Å; F50-W158 AromaticContact CZ-CZ2 3.45Å; F50-W158 HydrophobicContact CZ-CZ2 3.45Å; F50-W158 VanDerWaalsContact CZ-CZ2 3.45Å; F50-W158 HydrophobicContact CZ-CZ3 4.22Å; I54-W158 HydrophobicContact CD1-CD2 3.83Å; I54-W158 HydrophobicContact CD1-CE3 3.3Å; I54-W158 HydrophobicContact CD1-CH2 4.19Å; I54-W158 HydrophobicContact CD1-CZ3 3.51Å; L63-W158 HydrophobicContact CB-CB 4.05Å; L63-W158 HydrophobicContact CB-CG 4.18Å; L63-W158 HydrophobicContact CD2-CB 4.05Å; L63-W158 HydrophobicContact CD2-CD2 3.9Å; L63-W158 HydrophobicContact CD2-CG 3.61Å; L63-W158 HydrophobicContact CG-CB 4.23Å; L63-W158 VanDerWaalsContact CG-CD1 3.49Å; L63-W158 HydrophobicContact CG-CG 3.83Å; L63-W158 CarbonylContact O-C 3.56Å; L63-W158 VanDerWaalsContact O-CA 3.27Å; L63-W158 WeakPolarHBondContact O-CA 3.27Å; T65-W158 HydrophobicContact CG2-CZ2 4.18Å; T65-W158 PolarHBondContact OG1-NE1 2.7Å; L83-W158 HydrophobicContact CD1-CZ3 4.45Å; L83-W158 HydrophobicContact CD2-CH2 4.36Å; L83-W158 HydrophobicContact CD2-CZ3 4.09Å; V93-W158 VanDerWaalsContact O-CE3 3.22Å; R95-W158 CarbonylContact C-O 3.39Å; R95-W158 WeakPolarHBondContact CA-O 3.41Å; R95-W158 HydrophobicContact CB-CD2 3.51Å; R95-W158 HydrophobicContact CB-CE3 3.69Å; R95-W158 HydrophobicContact CB-CG 4.06Å; R95-W158 HydrophobicContact CB-CH2 3.78Å; R95-W158 HydrophobicContact CB-CZ2 3.66Å; R95-W158 HydrophobicContact CB-CZ3 3.83Å; R95-W158 HydrophobicContact CG-CH2 3.96Å; R95-W158 HydrophobicContact CG-CZ2 4.12Å; R95-W158 HydrophobicContact CG-CZ3 4.23Å; W96-W158 PolarHBondContact N-O 3.06Å
159V98.6Very high96.6Very high0 Ų025.3 Ų25.30%014%0.136CC..EExtended strand (participates in β ladder)trans-113.1130.8172.2-179.20000110.6L63 I64 T65 W96 C149 L152 L153 V161 L188L63-V159 PolarHBondContact O-N 3.13Å; I64-V159 WeakPolarHBondContact CA-O 3.27Å; T65-V159 PolarHBondContact N-O 3.04Å; W96-V159 HydrophobicContact CB-CG2 4.45Å; W96-V159 CarbonylContact O-C 3.41Å; W96-V159 WeakPolarHBondContact O-CA 3.43Å; C149-V159 HydrophobicContact CB-CG1 4.5Å; L152-V159 HydrophobicContact CB-CG2 4.26Å; L153-V159 HydrophobicContact CD1-CG2 4.49Å; L153-V159 HydrophobicContact CD2-CB 4.06Å; L153-V159 HydrophobicContact CD2-CG2 3.78Å; L153-V159 HydrophobicContact CG-CB 4.45Å; L153-V159 HydrophobicContact CG-CG2 3.84Å; V159-V161 HydrophobicContact CG1-CG1 4.06Å; V159-L188 HydrophobicContact CG1-CD1 4.43Å
160H98.6Very high96.4Very high6 Ų627.4 Ų27.43%0.02815%0.15CC..EExtended strand (participates in β ladder)trans-105.7137.8172.5-174.172.4000110.9T65 S67 D75 R95 W96 C97 L98 F162T65-H160 CarbonylContact O-C 3.57Å; T65-H160 WeakPolarHBondContact O-CA 3.25Å; T65-H160 PolarHBondContact O-ND1 3.46Å; T65-H160 WeakPolarHBondContact OG1-CA 3.33Å; T65-H160 WeakPolarHBondContact OG1-CB 3.45Å; T65-H160 PolarHBondContact OG1-ND1 3.34Å; S67-H160 PolarHBondContact OG-CE1 3.32Å; S67-H160 PolarHBondContact OG-NE2 3.05Å; D75-H160 IonicContact OD1-CD2 3.18Å; D75-H160 PolarHBondContact OD1-CD2 2.92Å; R95-H160 HydrophobicContact CB-CB 4.08Å; R95-H160 HydrophobicContact CG-CB 4.38Å; W96-H160 PolarHBondContact O-N 3.3Å; C97-H160 HydrophobicContact CB-CB 4.41Å; L98-H160 PolarHBondContact N-O 2.85Å; H160-F162 AromaticContact CD2-CE2 3.59Å; H160-F162 AromaticContact CD2-CZ 3.87Å; H160-F162 AromaticContact NE2-CE1 3.72Å; H160-F162 AromaticContact NE2-CE2 3.49Å; H160-F162 WeakPolarHBondContact NE2-CE2 3.35Å; H160-F162 AromaticContact NE2-CZ 3.28Å; H160-F162 VanDerWaalsContact NE2-CZ 3.28Å; H160-F162 WeakPolarHBondContact NE2-CZ 3.36Å
161V98.3Very high96.1Very high4 Ų433.4 Ų33.42%0.02418%0.177CC..EExtended strand (participates in β ladder)trans-135139.8-179.6-56.90000112.8T65 I66 S67 L98 V159 I185 L188T65-V161 PolarHBondContact O-N 3.12Å; I66-V161 WeakPolarHBondContact CA-O 3.4Å; I66-V161 HydrophobicContact CB-CG2 4.02Å; I66-V161 HydrophobicContact CD1-CG2 4.22Å; I66-V161 HydrophobicContact CG1-CG2 4.06Å; S67-V161 PolarHBondContact N-O 3.49Å; S67-V161 VanDerWaalsContact N-O 3.16Å; L98-V161 HydrophobicContact CD1-CB 4.36Å; L98-V161 HydrophobicContact CD1-CG1 3.64Å; L98-V161 HydrophobicContact CG-CG1 4.24Å; V159-V161 HydrophobicContact CG1-CG1 4.06Å; V161-I185 HydrophobicContact CG2-CD1 3.77Å; V161-I185 HydrophobicContact CG2-CG1 4.34Å; V161-L188 HydrophobicContact CG1-CD1 3.84Å
162F97.7Very high96Very high26 Ų2631.1 Ų31.111%0.11416%0.164CC..  trans-101.182.7164.1-65.4-78.7000108.5S67 N68 H69 D74 D75 L78 H160 Q164 G165S67-F162 WeakPolarHBondContact OG-CD1 3.34Å; S67-F162 WeakPolarHBondContact OG-CE1 3.37Å; N68-F162 WeakPolarHBondContact O-CD1 3.27Å; N68-F162 WeakPolarHBondContact O-CE1 3.26Å; H69-F162 HydrophobicContact CB-CB 3.97Å; H69-F162 HydrophobicContact CB-CD1 3.61Å; H69-F162 HydrophobicContact CB-CE1 4.43Å; H69-F162 HydrophobicContact CB-CG 4.06Å; H69-F162 AromaticContact CG-CD1 3.71Å; H69-F162 AromaticContact CG-CG 3.87Å; H69-F162 AromaticContact ND1-CD1 3.79Å; H69-F162 AromaticContact ND1-CE1 3.98Å; D74-F162 HydrophobicContact CB-CE1 3.75Å; D74-F162 HydrophobicContact CB-CZ 3.73Å; D75-F162 HydrophobicContact CB-CE2 3.8Å; D75-F162 HydrophobicContact CB-CZ 4.02Å; L78-F162 HydrophobicContact CD1-CE1 4.23Å; L78-F162 HydrophobicContact CD1-CZ 4.12Å; H160-F162 AromaticContact CD2-CE2 3.59Å; H160-F162 AromaticContact CD2-CZ 3.87Å; H160-F162 AromaticContact NE2-CE1 3.72Å; H160-F162 AromaticContact NE2-CE2 3.49Å; H160-F162 WeakPolarHBondContact NE2-CE2 3.35Å; H160-F162 AromaticContact NE2-CZ 3.28Å; H160-F162 VanDerWaalsContact NE2-CZ 3.28Å; H160-F162 WeakPolarHBondContact NE2-CZ 3.36Å; F162-Q164 PolarHBondContact O-N 3.49Å; F162-Q164 VanDerWaalsContact O-N 3.13Å; F162-G165 PolarHBondContact O-N 3.4Å
163S96.9Very high95.8Very high8 Ų832.4 Ų32.46%0.05617%0.168CC..THydrogen-bonded Turntrans-70.9-8-168.660.30000114.4I66 G165 L181 R182I66-S163 WeakPolarHBondContact CD1-OG 3.32Å; S163-G165 PolarHBondContact O-N 2.9Å; S163-L181 WeakPolarHBondContact OG-CD1 3.31Å; S163-L181 WeakPolarHBondContact OG-CD2 3.49Å; S163-R182 WeakPolarHBondContact O-CB 2.93Å; S163-R182 VanDerWaalsContact O-CG 3.24Å; S163-R182 WeakPolarHBondContact O-CG 3.33Å; S163-R182 PolarHBondContact O-N 3.07Å
164Q95.4Very high95.6Very high1 Ų140 Ų401%0.00521%0.208CC..THydrogen-bonded Turntrans-64.3-26.6167-67171.4-45.800111.4F162 R166 I168 E176 L181F162-Q164 PolarHBondContact O-N 3.49Å; F162-Q164 VanDerWaalsContact O-N 3.13Å; Q164-R166 VanDerWaalsContact C-N 3.25Å; Q164-R166 PolarHBondContact O-N 3.09Å; Q164-I168 HydrophobicContact CB-CD1 4.12Å; Q164-I168 HydrophobicContact CB-CG1 4.43Å; Q164-I168 HydrophobicContact CG-CD1 4.45Å; Q164-I168 HydrophobicContact CG-CG1 4.42Å; Q164-E176 PolarHBondContact NE2-OE1 3.14Å; Q164-L181 HydrophobicContact CG-CD2 3.75Å
165G93.1Very high95.4Very high27 Ų2740.3 Ų40.328%0.27821%0.214SC..  trans766.3173.600000115.2F162 S163F162-G165 PolarHBondContact O-N 3.4Å; S163-G165 PolarHBondContact O-N 2.9Å
166R93.5Very high95.4Very high83 Ų8337 Ų3731%0.31319%0.191SC..SBendtrans-162165.1170.762174.3-178.588.8-7.2109.1H69 Q164 I168 E172H69-R166 VanDerWaalsContact CD2-C 3.42Å; H69-R166 PolarHBondContact CD2-O 3.38Å; Q164-R166 VanDerWaalsContact C-N 3.25Å; Q164-R166 PolarHBondContact O-N 3.09Å; R166-I168 HydrophobicContact CG-CD1 4.33Å; R166-E172 IonicContact CZ-OE1 3.69Å; R166-E172 IonicContact CZ-OE2 3.28Å; R166-E172 IonicContact NH1-OE1 2.62Å; R166-E172 PolarHBondContact NH1-OE1 3.37Å; R166-E172 IonicContact NH1-OE2 2.64Å; R166-E172 PolarHBondContact NH1-OE2 2.85Å; R166-E172 IonicContact NH2-OE1 3.34Å; R166-E172 PolarHBondContact NH2-OE1 3.42Å; R166-E172 IonicContact NH2-OE2 3.63Å; R166-E172 PolarHBondContact NH2-OE2 3.49Å
167I94.8Very high95.3Very high32 Ų3243 Ų4316%0.16422%0.217CC..PPolyproline II helixtrans-65.3131.7166.9-61.1166.5000108.7H69 H70 C72H69-I167 CarbonylContact O-C 3.55Å; H69-I167 WeakPolarHBondContact O-CA 3.44Å; H70-I167 WeakPolarHBondContact O-CG2 3.46Å; C72-I167 HydrophobicContact CB-CD1 3.93Å
168I95.6Very high95.1Very high0 Ų046.9 Ų46.90%024%0.239CC..PPolyproline II helixtrans-85.4120.2170.9-54.9-46.3000108.1H69 Q164 R166 E172 R173 E176 I179H69-I168 PolarHBondContact O-N 3.25Å; Q164-I168 HydrophobicContact CB-CD1 4.12Å; Q164-I168 HydrophobicContact CB-CG1 4.43Å; Q164-I168 HydrophobicContact CG-CD1 4.45Å; Q164-I168 HydrophobicContact CG-CG1 4.42Å; R166-I168 HydrophobicContact CG-CD1 4.33Å; I168-E172 HydrophobicContact CG2-CB 3.84Å; I168-R173 HydrophobicContact CG2-CG 4.32Å; I168-E176 HydrophobicContact CG1-CG 4.31Å; I168-E176 HydrophobicContact CG2-CB 4.41Å; I168-E176 HydrophobicContact CG2-CG 4.07Å; I168-I179 HydrophobicContact CD1-CD1 3.55Å; I168-I179 HydrophobicContact CD1-CG2 4.44Å; I168-I179 HydrophobicContact CG1-CD1 4.22Å; I168-I179 HydrophobicContact CG2-CD1 4.12Å
169Q93.6Very high95Very high51 Ų5148 Ų4824%0.23825%0.245CC..PPolyproline II helixtrans-74.6151.7-177.3-60.9-61.8-1600110.6H171 E172 S212Q169-H171 VanDerWaalsContact C-N 3.26Å; Q169-H171 WeakPolarHBondContact CB-CE1 3.37Å; Q169-H171 PolarHBondContact O-N 3.37Å; Q169-H171 VanDerWaalsContact O-N 3.16Å; Q169-E172 HydrophobicContact CB-CG 4.32Å; Q169-E172 WeakPolarHBondContact CB-OE2 3.28Å; Q169-E172 PolarHBondContact N-OE2 3.09Å; Q169-E172 WeakPolarHBondContact O-CB 3.49Å; Q169-E172 PolarHBondContact O-N 2.88Å; Q169-S212 PolarHBondContact OE1-OG 3.04Å
170P93.4Very high94.8Very high44 Ų4453.8 Ų53.829%0.28627%0.267SS..G310 helixtrans-42.4-48176.1-33.937000114.8E172 R173 E213P170-E172 PolarHBondContact O-N 3.46Å; P170-E172 VanDerWaalsContact O-N 3.14Å; P170-R173 WeakPolarHBondContact O-CB 3.45Å; P170-R173 WeakPolarHBondContact O-CG 3.46Å; P170-R173 PolarHBondContact O-N 3.1Å; P170-E213 VanDerWaalsContact CD-CD 3.47Å; P170-E213 WeakPolarHBondContact CD-OE1 2.95Å; P170-E213 VanDerWaalsContact CG-CD 3.48Å; P170-E213 HydrophobicContact CG-CG 4.04Å; P170-E213 WeakPolarHBondContact CG-OE2 3.34Å
171H92.3Very high94.8Very high138 Ų13853.5 Ų53.564%0.63927%0.266SS*.G310 helixtrans-68.2-9.6-179.264.4-89.9000115.1Q169 E213Q169-H171 VanDerWaalsContact C-N 3.26Å; Q169-H171 WeakPolarHBondContact CB-CE1 3.37Å; Q169-H171 PolarHBondContact O-N 3.37Å; Q169-H171 VanDerWaalsContact O-N 3.16Å; H171-E213 IonicContact ND1-OE1 3.27Å; H171-E213 PolarHBondContact ND1-OE1 2.93Å
172E94.4Very high94.7Very high42 Ų4259.3 Ų59.320%0.19629%0.287CS..G310 helixtrans-99.1-13.4179-57.1178.7101.100112.5R166 I168 Q169 P170 D174 S175 E176R166-E172 IonicContact CZ-OE1 3.69Å; R166-E172 IonicContact CZ-OE2 3.28Å; R166-E172 IonicContact NH1-OE1 2.62Å; R166-E172 PolarHBondContact NH1-OE1 3.37Å; R166-E172 IonicContact NH1-OE2 2.64Å; R166-E172 PolarHBondContact NH1-OE2 2.85Å; R166-E172 IonicContact NH2-OE1 3.34Å; R166-E172 PolarHBondContact NH2-OE1 3.42Å; R166-E172 IonicContact NH2-OE2 3.63Å; R166-E172 PolarHBondContact NH2-OE2 3.49Å; I168-E172 HydrophobicContact CG2-CB 3.84Å; Q169-E172 HydrophobicContact CB-CG 4.32Å; Q169-E172 WeakPolarHBondContact CB-OE2 3.28Å; Q169-E172 PolarHBondContact N-OE2 3.09Å; Q169-E172 WeakPolarHBondContact O-CB 3.49Å; Q169-E172 PolarHBondContact O-N 2.88Å; P170-E172 PolarHBondContact O-N 3.46Å; P170-E172 VanDerWaalsContact O-N 3.14Å; E172-D174 VanDerWaalsContact C-N 3.33Å; E172-D174 PolarHBondContact O-N 3.18Å; E172-S175 CarbonylContact O-C 3.52Å; E172-S175 PolarHBondContact O-N 3.11Å; E172-S175 PolarHBondContact O-OG 2.9Å; E172-E176 PolarHBondContact O-N 3.46Å; E172-E176 VanDerWaalsContact O-N 3.1Å
173R93Very high94.6Very high44 Ų4462 Ų6217%0.16630%0.297CS..G310 helixtrans-62.3-36.1-167.4-68.1-179.3-172.9168.54.6113.1I168 P170 S175 E176 D207 K281I168-R173 HydrophobicContact CG2-CG 4.32Å; P170-R173 WeakPolarHBondContact O-CB 3.45Å; P170-R173 WeakPolarHBondContact O-CG 3.46Å; P170-R173 PolarHBondContact O-N 3.1Å; R173-S175 PolarHBondContact O-N 2.87Å; R173-E176 VanDerWaalsContact O-CB 3.25Å; R173-E176 WeakPolarHBondContact O-CB 3.47Å; R173-E176 PolarHBondContact O-N 3.04Å; R173-E176 VanDerWaalsContact O-N 3.14Å; R173-D207 IonicContact CZ-OD2 3.37Å; R173-D207 IonicContact NH1-OD1 3.4Å; R173-D207 IonicContact NH1-OD2 3.52Å; R173-D207 PolarHBondContact NH1-OD2 3.46Å; R173-D207 VanDerWaalsContact NH2-CB 3.32Å; R173-D207 IonicContact NH2-OD2 3.47Å; R173-D207 PolarHBondContact NH2-OD2 3.39Å; R173-K281 PolarHBondContact O-NZ 3.47Å
174D92.4Very high94.6Very high159 Ų15962.1 Ų62.185%0.8530%0.3SS*.G310 helixtrans-61.6-29.6178.7-62.7-20.3000112.4E172E172-D174 VanDerWaalsContact C-N 3.33Å; E172-D174 PolarHBondContact O-N 3.18Å
175S94.7Very high94.7Very high58 Ų5862.3 Ų62.341%0.40630%0.301SS..G310 helixtrans-106.67.7-179.971.80000113.7E172 R173 K177 N178E172-S175 CarbonylContact O-C 3.52Å; E172-S175 PolarHBondContact O-N 3.11Å; E172-S175 PolarHBondContact O-OG 2.9Å; R173-S175 PolarHBondContact O-N 2.87Å; S175-K177 PolarHBondContact O-N 2.71Å; S175-K177 VanDerWaalsContact O-N 3.09Å; S175-N178 VanDerWaalsContact O-CB 3.27Å; S175-N178 WeakPolarHBondContact O-CB 3.48Å; S175-N178 PolarHBondContact O-N 2.96Å
176E94.9Very high95Very high0 Ų061 Ų610%029%0.287CS..G310 helixtrans-58.6-29-172.8-177.6177.2-15900113.4H70 Q164 I168 E172 R173 N178 I179 W202 Y278 K281H70-E176 IonicContact CD2-OE1 3.87Å; H70-E176 PolarHBondContact CD2-OE1 3.14Å; H70-E176 IonicContact CE1-OE1 3.7Å; H70-E176 IonicContact CE1-OE2 2.7Å; H70-E176 IonicContact NE2-OE1 3.56Å; H70-E176 PolarHBondContact NE2-OE1 3.5Å; H70-E176 IonicContact NE2-OE2 3.45Å; H70-E176 PolarHBondContact NE2-OE2 3.11Å; Q164-E176 PolarHBondContact NE2-OE1 3.14Å; I168-E176 HydrophobicContact CG1-CG 4.31Å; I168-E176 HydrophobicContact CG2-CB 4.41Å; I168-E176 HydrophobicContact CG2-CG 4.07Å; E172-E176 PolarHBondContact O-N 3.46Å; E172-E176 VanDerWaalsContact O-N 3.1Å; R173-E176 VanDerWaalsContact O-CB 3.25Å; R173-E176 WeakPolarHBondContact O-CB 3.47Å; R173-E176 PolarHBondContact O-N 3.04Å; R173-E176 VanDerWaalsContact O-N 3.14Å; E176-N178 PolarHBondContact O-N 2.68Å; E176-N178 VanDerWaalsContact O-N 3.13Å; E176-I179 HydrophobicContact CB-CD1 4.48Å; E176-I179 HydrophobicContact CG-CD1 4.31Å; E176-I179 VanDerWaalsContact O-CB 3.27Å; E176-I179 WeakPolarHBondContact O-CB 3.49Å; E176-I179 PolarHBondContact O-N 2.72Å; E176-W202 HydrophobicContact CG-CH2 4.49Å; E176-Y278 HydrophobicContact CG-CE1 4.11Å; E176-Y278 VanDerWaalsContact O-CZ 3.24Å; E176-Y278 PolarHBondContact O-OH 3.36Å; E176-Y278 VanDerWaalsContact O-OH 3.12Å; E176-K281 IonicContact OE2-NZ 2.95Å; E176-K281 PolarHBondContact OE2-NZ 3.16Å
177K94.1Very high95.2Very high126 Ų12657.6 Ų57.655%0.54828%0.275SS..G310 helixtrans-60-21.517466.3-179.3179.8-177.10113.8S175 I179 Y278S175-K177 PolarHBondContact O-N 2.71Å; S175-K177 VanDerWaalsContact O-N 3.09Å; K177-I179 VanDerWaalsContact C-N 3.33Å; K177-Y278 HydrophobicContact CB-CD2 4.42Å; K177-Y278 HydrophobicContact CB-CG 4.29Å; K177-Y278 WeakPolarHBondContact O-CE2 3.47Å
178N94.2Very high95.3Very high128 Ų12856.1 Ų56.168%0.68427%0.267SS*.G310 helixtrans-85.3-10176.4-57-29.6000112.1S175 E176 R180S175-N178 VanDerWaalsContact O-CB 3.27Å; S175-N178 WeakPolarHBondContact O-CB 3.48Å; S175-N178 PolarHBondContact O-N 2.96Å; E176-N178 PolarHBondContact O-N 2.68Å; E176-N178 VanDerWaalsContact O-N 3.13Å; N178-R180 PolarHBondContact O-N 3.34Å
179I94.7Very high95.5Very high31 Ų3156.1 Ų56.116%0.15927%0.267CS..SBendtrans-76.7113.3179.2-60179.6000108.4I168 E176 K177 L181 Y278I168-I179 HydrophobicContact CD1-CD1 3.55Å; I168-I179 HydrophobicContact CD1-CG2 4.44Å; I168-I179 HydrophobicContact CG1-CD1 4.22Å; I168-I179 HydrophobicContact CG2-CD1 4.12Å; E176-I179 HydrophobicContact CB-CD1 4.48Å; E176-I179 HydrophobicContact CG-CD1 4.31Å; E176-I179 VanDerWaalsContact O-CB 3.27Å; E176-I179 WeakPolarHBondContact O-CB 3.49Å; E176-I179 PolarHBondContact O-N 2.72Å; K177-I179 VanDerWaalsContact C-N 3.33Å; I179-L181 PolarHBondContact O-N 3.5Å; I179-Y278 WeakPolarHBondContact O-CE2 3.47Å; I179-Y278 PolarHBondContact O-OH 3.04Å
180R95.7Very high95.6Very high122 Ų12254 Ų5446%0.4626%0.258SS..PPolyproline II helixtrans-66.6131.1176.9-170.4-176.863.690.1-23.5111.5N178 Q274N178-R180 PolarHBondContact O-N 3.34Å; R180-Q274 VanDerWaalsContact CA-OE1 3.3Å
181L97.3Very high95.8Very high0 Ų054.1 Ų54.10%026%0.255CS..PPolyproline II helixtrans-68.1146.9170.6-57.5-172.6000111.7I66 S163 Q164 I179 T270 V273 Q274 L277I66-L181 HydrophobicContact CD1-CD1 4.06Å; S163-L181 WeakPolarHBondContact OG-CD1 3.31Å; S163-L181 WeakPolarHBondContact OG-CD2 3.49Å; Q164-L181 HydrophobicContact CG-CD2 3.75Å; I179-L181 PolarHBondContact O-N 3.5Å; L181-T270 HydrophobicContact CB-CG2 3.78Å; L181-V273 HydrophobicContact CD1-CG1 4.3Å; L181-Q274 HydrophobicContact CD1-CB 3.73Å; L181-Q274 HydrophobicContact CD1-CG 4.17Å; L181-Q274 HydrophobicContact CG-CB 3.98Å; L181-Q274 HydrophobicContact CG-CG 3.97Å; L181-L277 HydrophobicContact CD1-CD2 4.1Å; L181-L277 HydrophobicContact CD2-CD2 4.33Å
182R96.6Very high96Very high125 Ų12547.7 Ų47.747%0.47223%0.225SC..PPolyproline II helixtrans-69.7135176.2-58.8-60.6177.9-175.9-1.6110S163 G184 I185S163-R182 WeakPolarHBondContact O-CB 2.93Å; S163-R182 VanDerWaalsContact O-CG 3.24Å; S163-R182 WeakPolarHBondContact O-CG 3.33Å; S163-R182 PolarHBondContact O-N 3.07Å; R182-G184 PolarHBondContact O-N 3.25Å; R182-I185 WeakPolarHBondContact O-CG2 3.32Å; R182-I185 PolarHBondContact O-N 3.49Å
183W96.1Very high96Very high82 Ų8253.1 Ų53.131%0.31125%0.248SC..THydrogen-bonded Turntrans-62.2-11.9-176.2-65.2-18.4000115.6V141 I185 G186 R187 H266 T270V141-W183 HydrophobicContact CG2-CB 3.95Å; W183-I185 PolarHBondContact O-N 3.14Å; W183-G186 PolarHBondContact O-N 3.45Å; W183-G186 VanDerWaalsContact O-N 3.08Å; W183-R187 PolarHBondContact O-N 2.87Å; W183-H266 HydrophobicContact CB-CB 4.49Å; W183-T270 WeakPolarHBondContact CA-OG1 3.36Å
184G97.1Very high96.1Very high12 Ų1255.8 Ų55.812%0.12426%0.262CS..Hα-helixtrans-53.8-35.4175.600000112.8M146 R182 R187 L188M146-G184 WeakPolarHBondContact CE-O 3.34Å; R182-G184 PolarHBondContact O-N 3.25Å; G184-R187 PolarHBondContact O-N 2.91Å; G184-L188 WeakPolarHBondContact O-CG 3.2Å; G184-L188 PolarHBondContact O-N 3.25Å
185I98.1Very high96.2Very high4 Ų450.6 Ų50.62%0.02124%0.235CC..Hα-helixtrans-64.3-44.2176.7-172.748.1000112.3I64 I66 V161 R182 W183 R187 L188 I189 T270 V273I64-I185 HydrophobicContact CG2-CD1 3.54Å; I66-I185 HydrophobicContact CD1-CG1 3.95Å; V161-I185 HydrophobicContact CG2-CD1 3.77Å; V161-I185 HydrophobicContact CG2-CG1 4.34Å; R182-I185 WeakPolarHBondContact O-CG2 3.32Å; R182-I185 PolarHBondContact O-N 3.49Å; W183-I185 PolarHBondContact O-N 3.14Å; I185-R187 VanDerWaalsContact C-N 3.28Å; I185-R187 PolarHBondContact O-N 2.95Å; I185-L188 PolarHBondContact O-N 3.27Å; I185-I189 HydrophobicContact CD1-CD1 4.18Å; I185-I189 HydrophobicContact CD1-CG1 4.38Å; I185-I189 HydrophobicContact CG1-CD1 4.16Å; I185-I189 WeakPolarHBondContact O-CG1 3.35Å; I185-I189 PolarHBondContact O-N 3.36Å; I185-I189 VanDerWaalsContact O-N 3.13Å; I185-T270 HydrophobicContact CG2-CG2 3.8Å; I185-V273 HydrophobicContact CG1-CG1 4.02Å; I185-V273 HydrophobicContact CG1-CG2 4.4Å; I185-V273 HydrophobicContact CG2-CG1 4.5Å
186G97.9Very high96.3Very high0 Ų048.3 Ų48.30%022%0.219CC..Hα-helixtrans-63.9-36.1176.200000112.4W183 I189 A190 H266 T270W183-G186 PolarHBondContact O-N 3.45Å; W183-G186 VanDerWaalsContact O-N 3.08Å; G186-I189 PolarHBondContact O-N 3.45Å; G186-A190 VanDerWaalsContact O-CB 3.27Å; G186-A190 WeakPolarHBondContact O-CB 3.34Å; G186-A190 PolarHBondContact O-N 3.02Å; G186-H266 WeakPolarHBondContact CA-O 3.22Å; G186-T270 WeakPolarHBondContact CA-OG1 3.4Å; G186-T270 PolarHBondContact N-OG1 3.4Å
187R97.8Very high96.4Very high11 Ų1150.1 Ų50.14%0.04223%0.228CC..Hα-helixtrans-62.6-47.3172.6-179169.8-179-125.8-11.5112.6V141 D147 I150 W183 G184 I185 I189 A190 E191V141-R187 HydrophobicContact CG1-CB 3.97Å; V141-R187 HydrophobicContact CG1-CG 4.34Å; V141-R187 PolarHBondContact O-NH1 3.37Å; D147-R187 IonicContact OD1-CZ 2.96Å; D147-R187 IonicContact OD1-NH1 3.34Å; D147-R187 PolarHBondContact OD1-NH1 2.76Å; D147-R187 IonicContact OD1-NH2 2.68Å; D147-R187 PolarHBondContact OD1-NH2 3.22Å; I150-R187 HydrophobicContact CD1-CG 4.31Å; W183-R187 PolarHBondContact O-N 2.87Å; G184-R187 PolarHBondContact O-N 2.91Å; I185-R187 VanDerWaalsContact C-N 3.28Å; I185-R187 PolarHBondContact O-N 2.95Å; R187-I189 PolarHBondContact O-N 2.87Å; R187-A190 PolarHBondContact O-N 3.08Å; R187-E191 HydrophobicContact CG-CG 4.24Å; R187-E191 WeakPolarHBondContact CG-OE1 3.35Å; R187-E191 IonicContact CZ-OE1 3.77Å; R187-E191 IonicContact CZ-OE2 3.91Å; R187-E191 VanDerWaalsContact NE-CD 3.29Å; R187-E191 IonicContact NE-OE1 3.41Å; R187-E191 PolarHBondContact NE-OE1 2.7Å; R187-E191 IonicContact NE-OE2 3.94Å; R187-E191 PolarHBondContact NE-OE2 3.04Å; R187-E191 VanDerWaalsContact NE-OE2 3.14Å; R187-E191 IonicContact NH2-OE1 2.68Å; R187-E191 IonicContact NH2-OE2 3.77Å; R187-E191 PolarHBondContact NH2-OE2 3.22Å; R187-E191 WeakPolarHBondContact O-CB 3.22Å; R187-E191 PolarHBondContact O-N 3.26Å
188L98.3Very high96.6Very high1 Ų144.1 Ų44.11%0.00520%0.202CC..Hα-helixtrans-57.3-40.7178.4-69.1175.8000111.6I64 M146 C149 I150 L153 V159 V161 G184 I185 S192I64-L188 HydrophobicContact CD1-CB 4.04Å; M146-L188 HydrophobicContact CE-CD1 4.02Å; M146-L188 HydrophobicContact CE-CD2 3.64Å; M146-L188 HydrophobicContact CE-CG 3.55Å; C149-L188 HydrophobicContact CB-CD2 3.52Å; I150-L188 HydrophobicContact CG1-CD2 4.01Å; L153-L188 HydrophobicContact CD1-CB 3.87Å; L153-L188 HydrophobicContact CD1-CD2 3.93Å; L153-L188 HydrophobicContact CD1-CG 4.34Å; V159-L188 HydrophobicContact CG1-CD1 4.43Å; V161-L188 HydrophobicContact CG1-CD1 3.84Å; G184-L188 WeakPolarHBondContact O-CG 3.2Å; G184-L188 PolarHBondContact O-N 3.25Å; I185-L188 PolarHBondContact O-N 3.27Å; L188-S192 PolarHBondContact O-N 3.25Å; L188-S192 PolarHBondContact O-OG 3.33Å
189I97.9Very high96.8Very high1 Ų138.1 Ų38.11%0.00517%0.17CC..Hα-helixtrans-70.6-50.1179.1-60.2164.1000110.6I64 I185 G186 R187 E191 S192 P196 V198 T241 Y269 V273I64-I189 HydrophobicContact CD1-CG1 3.81Å; I185-I189 HydrophobicContact CD1-CD1 4.18Å; I185-I189 HydrophobicContact CD1-CG1 4.38Å; I185-I189 HydrophobicContact CG1-CD1 4.16Å; I185-I189 WeakPolarHBondContact O-CG1 3.35Å; I185-I189 PolarHBondContact O-N 3.36Å; I185-I189 VanDerWaalsContact O-N 3.13Å; G186-I189 PolarHBondContact O-N 3.45Å; R187-I189 PolarHBondContact O-N 2.87Å; I189-E191 PolarHBondContact O-N 2.68Å; I189-S192 PolarHBondContact O-N 2.84Å; I189-P196 HydrophobicContact CB-CG 4.4Å; I189-P196 HydrophobicContact CG1-CG 4.45Å; I189-P196 HydrophobicContact CG2-CG 3.95Å; I189-V198 HydrophobicContact CD1-CG1 4.35Å; I189-V198 HydrophobicContact CD1-CG2 3.97Å; I189-V198 HydrophobicContact CG1-CG2 3.92Å; I189-T241 HydrophobicContact CG2-CG2 4.44Å; I189-Y269 HydrophobicContact CB-CD1 3.98Å; I189-Y269 HydrophobicContact CB-CE1 4.4Å; I189-Y269 HydrophobicContact CB-CG 4.42Å; I189-Y269 HydrophobicContact CG2-CD1 3.38Å; I189-Y269 HydrophobicContact CG2-CE1 3.44Å; I189-Y269 VanDerWaalsContact CG2-CE1 3.44Å; I189-Y269 HydrophobicContact CG2-CG 4.26Å; I189-V273 HydrophobicContact CD1-CG2 3.53Å
190A97Very high97Very high5 Ų536.8 Ų36.84%0.04116%0.164CC..Hα-helixtrans-62.2-41.2-177.200000112.8G186 R187 R245 L248 T265 Y269G186-A190 VanDerWaalsContact O-CB 3.27Å; G186-A190 WeakPolarHBondContact O-CB 3.34Å; G186-A190 PolarHBondContact O-N 3.02Å; R187-A190 PolarHBondContact O-N 3.08Å; A190-R245 PolarHBondContact O-NH1 3.23Å; A190-L248 HydrophobicContact CB-CD2 3.98Å; A190-T265 HydrophobicContact CB-CG2 4.26Å; A190-Y269 HydrophobicContact CB-CD2 3.97Å; A190-Y269 HydrophobicContact CB-CE2 3.87Å
191E96.6Very high97.2Very high48 Ų4831 Ų3122%0.22414%0.142CC..Hα-helixtrans-91.8-0.4-174.5-64.2-175.9-15600114I150 R187 I189 Y255 H266I150-E191 HydrophobicContact CD1-CB 3.79Å; I150-E191 HydrophobicContact CD1-CG 4.44Å; I150-E191 WeakPolarHBondContact CD1-OE2 3.47Å; I150-E191 HydrophobicContact CG1-CB 4.18Å; I150-E191 HydrophobicContact CG2-CB 4.26Å; R187-E191 HydrophobicContact CG-CG 4.24Å; R187-E191 WeakPolarHBondContact CG-OE1 3.35Å; R187-E191 IonicContact CZ-OE1 3.77Å; R187-E191 IonicContact CZ-OE2 3.91Å; R187-E191 VanDerWaalsContact NE-CD 3.29Å; R187-E191 IonicContact NE-OE1 3.41Å; R187-E191 PolarHBondContact NE-OE1 2.7Å; R187-E191 IonicContact NE-OE2 3.94Å; R187-E191 PolarHBondContact NE-OE2 3.04Å; R187-E191 VanDerWaalsContact NE-OE2 3.14Å; R187-E191 IonicContact NH2-OE1 2.68Å; R187-E191 IonicContact NH2-OE2 3.77Å; R187-E191 PolarHBondContact NH2-OE2 3.22Å; R187-E191 WeakPolarHBondContact O-CB 3.22Å; R187-E191 PolarHBondContact O-N 3.26Å; I189-E191 PolarHBondContact O-N 2.68Å; E191-Y255 VanDerWaalsContact CG-OH 3.22Å; E191-Y255 WeakPolarHBondContact CG-OH 3.43Å; E191-Y255 PolarHBondContact OE1-OH 2.67Å; E191-Y255 VanDerWaalsContact OE1-OH 3.13Å; E191-H266 IonicContact OE1-CE1 2.73Å; E191-H266 IonicContact OE1-NE2 2.84Å
192S96.5Very high97.2Very high2 Ų231 Ų311%0.01414%0.142CC..  trans-66.1135166.1-680000109.7L188 I189 E194 R245L188-S192 PolarHBondContact O-N 3.25Å; L188-S192 PolarHBondContact O-OG 3.33Å; I189-S192 PolarHBondContact O-N 2.84Å; S192-E194 WeakPolarHBondContact CB-O 3.29Å; S192-R245 VanDerWaalsContact O-CZ 3.25Å; S192-R245 PolarHBondContact O-NH1 2.83Å; S192-R245 PolarHBondContact O-NH2 3.25Å
193K95Very high97.3Very high156 Ų15625.1 Ų25.168%0.67812%0.119SC*.SBendtrans-71.1-45.4179.5-72.8177.8-177.7-179.30112.1N154 R245N154-K193 HydrophobicContact CB-CD 4.37Å; N154-K193 WeakPolarHBondContact OD1-CB 3.4Å; N154-K193 WeakPolarHBondContact OD1-CG 3.28Å; N154-K193 PolarHBondContact OD1-N 2.88Å; K193-R245 PolarHBondContact O-NH2 2.89Å
194E94.6Very high97.4Very high100 Ų10021.7 Ų21.747%0.46711%0.108SC..SBendtrans-94153.6170.6-62.4-56.2148.200109.8P62 S192 P196P62-E194 HydrophobicContact CG-CB 4.26Å; S192-E194 WeakPolarHBondContact CB-O 3.29Å; E194-P196 VanDerWaalsContact O-CD 3.26Å; E194-P196 WeakPolarHBondContact O-CD 3.36Å
195D94.4Very high97.4Very high50 Ų5021.3 Ų21.327%0.26710%0.104SC..  trans-68.8113.9-179.7-67.11.1000109.4Q61 R245Q61-D195 PolarHBondContact NE2-O 2.8Å; D195-R245 WeakPolarHBondContact OD1-CD 3.46Å; D195-R245 VanDerWaalsContact OD1-CG 3.31Å; D195-R245 WeakPolarHBondContact OD1-CG 3.4Å; D195-R245 IonicContact OD1-CZ 3.31Å; D195-R245 IonicContact OD1-NE 3.93Å; D195-R245 PolarHBondContact OD1-NE 3.46Å; D195-R245 IonicContact OD1-NH2 2.96Å
196P97.3Very high97.3Very high11 Ų1121.1 Ų21.17%0.07110%0.103CC..  trans-72.7142.1-175.730.2-33.9000110.3P62 I64 I189 E194 V198P62-P196 HydrophobicContact CB-CB 3.95Å; P62-P196 HydrophobicContact CG-CB 4.21Å; P62-P196 WeakPolarHBondContact O-CA 3.45Å; I64-P196 HydrophobicContact CD1-CB 3.77Å; I64-P196 HydrophobicContact CD1-CG 3.93Å; I64-P196 HydrophobicContact CG1-CB 4.07Å; I189-P196 HydrophobicContact CB-CG 4.4Å; I189-P196 HydrophobicContact CG1-CG 4.45Å; I189-P196 HydrophobicContact CG2-CG 3.95Å; E194-P196 VanDerWaalsContact O-CD 3.26Å; E194-P196 WeakPolarHBondContact O-CD 3.36Å; P196-V198 HydrophobicContact CB-CG2 4.36Å; P196-V198 HydrophobicContact CG-CG2 4.06Å; P196-V198 PolarHBondContact O-N 3.41Å
197L97.7Very high97.3Very high37 Ų3722 Ų2219%0.19411%0.108CC..EExtended strand (participates in β ladder)trans-74.4109.7164.9-172.267.4000108.1A53 P62 L63 I64 I199 P238A53-L197 HydrophobicContact CB-CD2 3.59Å; P62-L197 PolarHBondContact O-N 2.73Å; L63-L197 HydrophobicContact CD1-CB 4.21Å; L63-L197 HydrophobicContact CD1-CD2 4.23Å; L63-L197 HydrophobicContact CD1-CG 4.3Å; L63-L197 WeakPolarHBondContact CD1-O 3.49Å; I64-L197 PolarHBondContact N-O 3.2Å; L197-I199 HydrophobicContact CD2-CD1 3.92Å; L197-I199 HydrophobicContact CG-CD1 4.13Å; L197-I199 HydrophobicContact CG-CG1 4.2Å; L197-P238 HydrophobicContact CD1-CB 3.5Å; L197-P238 VanDerWaalsContact CD1-CB 3.5Å; L197-P238 HydrophobicContact CD1-CG 3.77Å; L197-P238 HydrophobicContact CG-CB 4.36Å
198V98.5Very high97.2Very high1 Ų125.5 Ų25.51%0.00612%0.124CC..EExtended strand (participates in β ladder)trans-101.2113.3-178.9-171.90000109.7I64 I189 P196 P238 I239I64-V198 HydrophobicContact CB-CG1 4.47Å; I64-V198 HydrophobicContact CB-CG2 4.33Å; I64-V198 HydrophobicContact CG2-CG1 4.46Å; I64-V198 CarbonylContact O-C 3.44Å; I64-V198 VanDerWaalsContact O-CA 3.29Å; I64-V198 WeakPolarHBondContact O-CA 3.42Å; I189-V198 HydrophobicContact CD1-CG1 4.35Å; I189-V198 HydrophobicContact CD1-CG2 3.97Å; I189-V198 HydrophobicContact CG1-CG2 3.92Å; P196-V198 HydrophobicContact CB-CG2 4.36Å; P196-V198 HydrophobicContact CG-CG2 4.06Å; P196-V198 PolarHBondContact O-N 3.41Å; V198-P238 CarbonylContact O-C 3.55Å; V198-P238 WeakPolarHBondContact O-CA 3.49Å; V198-I239 HydrophobicContact CB-CB 4.19Å; V198-I239 HydrophobicContact CG1-CB 4.39Å; V198-I239 HydrophobicContact CG1-CD1 3.93Å; V198-I239 HydrophobicContact CG1-CG1 4.35Å; V198-I239 PolarHBondContact O-N 3.1Å
199I98.4Very high97.1Very high1 Ų125.4 Ų25.41%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-114.2117.4-177.7-67.7172.6000110.2A53 L63 I64 T65 I66 L197 V201 V235 P238A53-I199 HydrophobicContact CB-CD1 3.56Å; L63-I199 HydrophobicContact CD1-CD1 4.01Å; L63-I199 HydrophobicContact CD1-CG1 4.41Å; I64-I199 PolarHBondContact O-N 2.64Å; T65-I199 VanDerWaalsContact CA-O 3.27Å; T65-I199 WeakPolarHBondContact CA-O 3.44Å; T65-I199 HydrophobicContact CG2-CB 4.26Å; I66-I199 PolarHBondContact N-O 2.93Å; I66-I199 VanDerWaalsContact N-O 3.11Å; L197-I199 HydrophobicContact CD2-CD1 3.92Å; L197-I199 HydrophobicContact CG-CD1 4.13Å; L197-I199 HydrophobicContact CG-CG1 4.2Å; I199-V201 HydrophobicContact CG2-CG2 4.38Å; I199-V235 HydrophobicContact CG2-CG1 3.53Å; I199-P238 HydrophobicContact CG1-CB 4.33Å; I199-P238 HydrophobicContact CG1-CG 4.3Å
200P98.5Very high97Very high4 Ų426 Ų263%0.02613%0.127CC..EExtended strand (participates in β ladder)trans-79.7141.2172.831.3-24.9000110I66 G236 K237 I239 L277 L280I66-P200 HydrophobicContact CG2-CB 4.01Å; I66-P200 CarbonylContact O-C 3.56Å; I66-P200 WeakPolarHBondContact O-CA 3.31Å; P200-G236 PolarHBondContact O-N 2.87Å; P200-K237 WeakPolarHBondContact CD-O 3.39Å; P200-I239 HydrophobicContact CB-CD1 4.3Å; P200-I239 HydrophobicContact CG-CD1 4.11Å; P200-I239 HydrophobicContact CG-CG1 4Å; P200-L277 HydrophobicContact CB-CD1 4.13Å; P200-L280 HydrophobicContact CB-CD2 4.01Å; P200-L280 HydrophobicContact CG-CD2 4.3Å; P200-L280 WeakPolarHBondContact O-CD2 3.34Å
201V98.7Very high96.9Very high1 Ų126.7 Ų26.71%0.00613%0.131CC..EExtended strand (participates in β ladder)trans-128.5133.7176.41790000107.4I66 S67 L78 L82 I199 V233 L234 V235I66-V201 PolarHBondContact O-N 3.4Å; S67-V201 WeakPolarHBondContact CA-O 3.47Å; S67-V201 WeakPolarHBondContact CB-O 3.4Å; L78-V201 HydrophobicContact CD2-CG1 4Å; L82-V201 HydrophobicContact CD1-CG1 4.38Å; L82-V201 HydrophobicContact CD1-CG2 4.49Å; I199-V201 HydrophobicContact CG2-CG2 4.38Å; V201-V233 HydrophobicContact CG1-CG1 3.74Å; V201-L234 CarbonylContact C-O 3.5Å; V201-L234 WeakPolarHBondContact CA-O 3.45Å; V201-V235 HydrophobicContact CG2-CG2 4.48Å
202W98.5Very high96.6Very high0 Ų025.5 Ų25.50%013%0.128CC..EExtended strand (participates in β ladder)trans-123.7134171.8-163.2-76.9000109.3N68 E176 L234 L277 Y278 L280 K281 A284N68-W202 HydrophobicContact CB-CD2 3.85Å; N68-W202 HydrophobicContact CB-CE3 3.83Å; N68-W202 HydrophobicContact CB-CH2 3.72Å; N68-W202 HydrophobicContact CB-CZ2 3.74Å; N68-W202 HydrophobicContact CB-CZ3 3.78Å; N68-W202 VanDerWaalsContact OD1-CA 3.3Å; N68-W202 WeakPolarHBondContact OD1-CA 3.5Å; E176-W202 HydrophobicContact CG-CH2 4.49Å; W202-L234 PolarHBondContact N-O 3.44Å; W202-L234 PolarHBondContact O-N 3.33Å; W202-L277 HydrophobicContact CE3-CD1 3.94Å; W202-L277 HydrophobicContact CE3-CG 3.93Å; W202-L277 VanDerWaalsContact CE3-O 3.24Å; W202-L277 HydrophobicContact CZ3-CD1 4.38Å; W202-L277 HydrophobicContact CZ3-CD2 4.43Å; W202-L277 HydrophobicContact CZ3-CG 3.89Å; W202-Y278 AromaticContact CH2-CD1 3.84Å; W202-Y278 HydrophobicContact CH2-CD1 3.84Å; W202-Y278 AromaticContact CH2-CE1 3.96Å; W202-Y278 HydrophobicContact CH2-CE1 3.96Å; W202-Y278 AromaticContact CZ3-CD1 3.69Å; W202-Y278 HydrophobicContact CZ3-CD1 3.69Å; W202-Y278 AromaticContact CZ3-CE1 3.99Å; W202-Y278 HydrophobicContact CZ3-CE1 3.99Å; W202-L280 HydrophobicContact CB-CB 4.27Å; W202-L280 HydrophobicContact CB-CD2 3.84Å; W202-L280 HydrophobicContact CB-CG 3.87Å; W202-K281 HydrophobicContact CD2-CB 3.82Å; W202-K281 HydrophobicContact CD2-CG 4.36Å; W202-K281 HydrophobicContact CE3-CB 3.86Å; W202-K281 HydrophobicContact CH2-CB 3.67Å; W202-K281 HydrophobicContact CH2-CD 3.69Å; W202-K281 HydrophobicContact CH2-CG 3.82Å; W202-K281 HydrophobicContact CZ2-CB 3.59Å; W202-K281 HydrophobicContact CZ2-CD 3.54Å; W202-K281 HydrophobicContact CZ2-CG 3.38Å; W202-K281 HydrophobicContact CZ3-CB 3.78Å; W202-K281 HydrophobicContact CZ3-CG 4.44Å; W202-A284 HydrophobicContact CB-CB 3.91Å; W202-A284 VanDerWaalsContact CD1-CB 3.45Å; W202-A284 HydrophobicContact CG-CB 3.89Å
203H98.4Very high96.1Very high0 Ų028.9 Ų28.90%014%0.144CC..EExtended strand (participates in β ladder)trans-121.3150.6176.271.685.3000111.9N68 D74 L78 L206 T232 V233N68-H203 PolarHBondContact ND2-O 2.96Å; N68-H203 PolarHBondContact O-NE2 2.92Å; N68-H203 PolarHBondContact OD1-CD2 3.37Å; N68-H203 PolarHBondContact OD1-N 2.9Å; D74-H203 VanDerWaalsContact CG-NE2 3.25Å; D74-H203 IonicContact OD1-CE1 3.5Å; D74-H203 PolarHBondContact OD1-CE1 2.95Å; D74-H203 IonicContact OD1-NE2 2.74Å; D74-H203 PolarHBondContact OD1-NE2 2.76Å; D74-H203 IonicContact OD2-CE1 2.72Å; D74-H203 IonicContact OD2-NE2 3.14Å; D74-H203 PolarHBondContact OD2-NE2 3.4Å; L78-H203 HydrophobicContact CD2-CB 4.25Å; H203-L206 HydrophobicContact CB-CD1 4.04Å; H203-L206 HydrophobicContact CB-CG 4.33Å; H203-L206 WeakPolarHBondContact ND1-CD1 3.16Å; H203-L206 WeakPolarHBondContact ND1-CG 3.17Å; H203-T232 CarbonylContact C-O 3.53Å; H203-T232 VanDerWaalsContact CA-O 3.24Å; H203-T232 WeakPolarHBondContact CA-O 3.27Å; H203-V233 HydrophobicContact CB-CG2 4.1Å
204C98.1Very high95.5Very high11 Ų1127.4 Ų27.47%0.07415%0.148CC..EExtended strand (participates in β ladder)trans-131.9137176.3-59.40000108.8V231 T232 H288C204-V231 WeakPolarHBondContact O-CA 3.23Å; C204-T232 PolarHBondContact N-O 3.14Å; C204-T232 PolarHBondContact O-N 3.03Å; C204-H288 HydrophobicContact CB-CB 3.83Å; C204-H288 PolarHBondContact O-CE1 3.3Å
205G96.8Very high95.1Very high3 Ų327.3 Ų27.33%0.03116%0.156CC..SBendtrans91.9-9.1173.200000115.8D207 Q208G205-D207 VanDerWaalsContact C-N 3.26Å; G205-D207 WeakPolarHBondContact CA-OD1 3.49Å; G205-D207 PolarHBondContact N-OD1 3.27Å; G205-D207 PolarHBondContact O-N 3.03Å; G205-Q208 WeakPolarHBondContact O-CB 3.49Å; G205-Q208 PolarHBondContact O-N 3.29Å; G205-Q208 VanDerWaalsContact O-N 3.08Å
206L97.3Very high94.7Very high0 Ų028 Ų280%016%0.159CC..Hα-helixtrans-64.6-32.7175.7-67.5-172.4000112.7L37 F77 L78 H203 Q208 L209 N210 V231L37-L206 HydrophobicContact CD2-CD2 4Å; F77-L206 HydrophobicContact CB-CD1 3.69Å; F77-L206 HydrophobicContact CB-CD2 3.64Å; F77-L206 HydrophobicContact CB-CG 4.29Å; F77-L206 HydrophobicContact CD2-CB 4.38Å; F77-L206 HydrophobicContact CD2-CD1 4.47Å; F77-L206 HydrophobicContact CD2-CD2 4.03Å; F77-L206 HydrophobicContact CG-CD2 3.95Å; L78-L206 HydrophobicContact CD2-CD1 4.47Å; L78-L206 HydrophobicContact CG-CD1 4.44Å; H203-L206 HydrophobicContact CB-CD1 4.04Å; H203-L206 HydrophobicContact CB-CG 4.33Å; H203-L206 WeakPolarHBondContact ND1-CD1 3.16Å; H203-L206 WeakPolarHBondContact ND1-CG 3.17Å; L206-Q208 PolarHBondContact O-N 3.08Å; L206-L209 WeakPolarHBondContact O-CA 3.49Å; L206-L209 WeakPolarHBondContact O-CB 3.26Å; L206-L209 PolarHBondContact O-N 2.96Å; L206-N210 PolarHBondContact O-N 2.88Å; L206-V231 HydrophobicContact CD2-CG1 3.46Å; L206-V231 VanDerWaalsContact CD2-CG1 3.46Å; L206-V231 HydrophobicContact CD2-CG2 4.37Å; L206-V231 HydrophobicContact CG-CG1 4.14Å
207D96.2Very high94.1Very high20 Ų2030.8 Ų30.811%0.10718%0.176CC..Hα-helixtrans-65-25173.167.8-58.6000113H70 R173 G205 L209 N210 P211H70-D207 HydrophobicContact CB-CB 4.11Å; R173-D207 IonicContact CZ-OD2 3.37Å; R173-D207 IonicContact NH1-OD1 3.4Å; R173-D207 IonicContact NH1-OD2 3.52Å; R173-D207 PolarHBondContact NH1-OD2 3.46Å; R173-D207 VanDerWaalsContact NH2-CB 3.32Å; R173-D207 IonicContact NH2-OD2 3.47Å; R173-D207 PolarHBondContact NH2-OD2 3.39Å; G205-D207 VanDerWaalsContact C-N 3.26Å; G205-D207 WeakPolarHBondContact CA-OD1 3.49Å; G205-D207 PolarHBondContact N-OD1 3.27Å; G205-D207 PolarHBondContact O-N 3.03Å; D207-L209 PolarHBondContact O-N 3.09Å; D207-N210 CarbonylContact O-C 3.56Å; D207-N210 PolarHBondContact O-N 3.36Å; D207-P211 WeakPolarHBondContact O-CA 3.2Å
208Q95.5Very high93.6Very high83 Ų8333.9 Ų33.939%0.38820%0.201SC..Hα-helixtrans-73-20.7172.1-54.7-173.76.100112.3G205 L206 R223G205-Q208 WeakPolarHBondContact O-CB 3.49Å; G205-Q208 PolarHBondContact O-N 3.29Å; G205-Q208 VanDerWaalsContact O-N 3.08Å; L206-Q208 PolarHBondContact O-N 3.08Å; Q208-R223 WeakPolarHBondContact O-CD 3.42Å
209L96.5Very high93.4Very high0 Ų035.2 Ų35.20%021%0.209CC..Hα-helixtrans-88.1-36.4172.6-55.3-174.5000111.6L37 H40 F77 L206 D207 T220 R223 I224 R229 V231L37-L209 HydrophobicContact CD2-CD1 3.89Å; H40-L209 VanDerWaalsContact CE1-CD2 3.48Å; H40-L209 WeakPolarHBondContact CE1-CD2 3.26Å; H40-L209 VanDerWaalsContact NE2-CD2 3.27Å; H40-L209 WeakPolarHBondContact NE2-CD2 3.4Å; F77-L209 HydrophobicContact CE2-CB 4.14Å; F77-L209 HydrophobicContact CZ-CB 4.11Å; F77-L209 HydrophobicContact CZ-CD1 4.41Å; L206-L209 WeakPolarHBondContact O-CA 3.49Å; L206-L209 WeakPolarHBondContact O-CB 3.26Å; L206-L209 PolarHBondContact O-N 2.96Å; D207-L209 PolarHBondContact O-N 3.09Å; L209-T220 WeakPolarHBondContact O-CA 3.42Å; L209-R223 WeakPolarHBondContact O-CB 3.48Å; L209-I224 HydrophobicContact CB-CG1 4.47Å; L209-R229 HydrophobicContact CD2-CB 4.37Å; L209-R229 HydrophobicContact CD2-CG 4.47Å; L209-V231 HydrophobicContact CD1-CG2 4.03Å
210N96.5Very high93.2Very high13 Ų1336.1 Ų36.17%0.0722%0.215CC..SBendtrans-127.881.1176.5178.5-122.5000111.1S71 C72 L73 F77 L206 D207 S212 T220S71-N210 VanDerWaalsContact CB-O 3.22Å; S71-N210 WeakPolarHBondContact CB-O 3.44Å; S71-N210 WeakPolarHBondContact CB-OD1 3.35Å; C72-N210 WeakPolarHBondContact CB-OD1 3.29Å; C72-N210 PolarHBondContact N-OD1 3.26Å; L73-N210 HydrophobicContact CB-CB 4.12Å; L73-N210 HydrophobicContact CD1-CB 4.15Å; L73-N210 HydrophobicContact CG-CB 4.21Å; L73-N210 PolarHBondContact N-OD1 3.48Å; F77-N210 HydrophobicContact CE2-CB 4.1Å; L206-N210 PolarHBondContact O-N 2.88Å; D207-N210 CarbonylContact O-C 3.56Å; D207-N210 PolarHBondContact O-N 3.36Å; N210-S212 PolarHBondContact O-N 3.39Å; N210-T220 HydrophobicContact CB-CG2 4.2Å; N210-T220 PolarHBondContact ND2-OG1 3.47Å
211P94.9Very high93Very high19 Ų1941.7 Ų41.712%0.12324%0.244CC..  trans-63.7137-179.1-23.234.6000112.2D207 N216 T217 R223D207-P211 WeakPolarHBondContact O-CA 3.2Å; P211-N216 HydrophobicContact CB-CB 3.74Å; P211-N216 HydrophobicContact CG-CB 4.2Å; P211-T217 WeakPolarHBondContact O-CA 3.47Å; P211-R223 HydrophobicContact CG-CG 4.38Å
212S90.3Very high92.9Very high24 Ų2445.2 Ų45.217%0.16827%0.269CS..  trans-92.9-15.7177.958.30000114.2Q169 N210 T217Q169-S212 PolarHBondContact OE1-OG 3.04Å; N210-S212 PolarHBondContact O-N 3.39Å; S212-T217 WeakPolarHBondContact O-CG2 3.34Å
213E86.3Confident92.7Very high72 Ų7249 Ų4934%0.33628%0.283SS..SBendtrans-91.4137.8-176.7-68.6-176.4146.300112.3P170 H171 N216 T217P170-E213 VanDerWaalsContact CD-CD 3.47Å; P170-E213 WeakPolarHBondContact CD-OE1 2.95Å; P170-E213 VanDerWaalsContact CG-CD 3.48Å; P170-E213 HydrophobicContact CG-CG 4.04Å; P170-E213 WeakPolarHBondContact CG-OE2 3.34Å; H171-E213 IonicContact ND1-OE1 3.27Å; H171-E213 PolarHBondContact ND1-OE1 2.93Å; E213-N216 WeakPolarHBondContact O-CA 3.4Å; E213-N216 WeakPolarHBondContact O-CB 3.46Å; E213-N216 PolarHBondContact O-N 3.36Å; E213-T217 PolarHBondContact O-N 3.17Å
214V83.1Confident92.6Very high126 Ų12649.7 Ų49.776%0.76429%0.286SS*.THydrogen-bonded Turntrans-69.4139.3172.3177.70000109T217V214-T217 HydrophobicContact CG2-CG2 4.46Å
215P86.2Confident92.5Very high97 Ų9755.1 Ų55.163%0.6331%0.309SS*.THydrogen-bonded Turncis-90.16.6536.5-36000114.8T217P215-T217 VanDerWaalsContact C-N 3.28Å; P215-T217 PolarHBondContact O-N 3.44Å
216N85.7Confident92.4Very high65 Ų6556.6 Ų56.635%0.34832%0.324SS..G310 helixtrans-78.9-3.3-167.6-67.2-49.3000115P211 E213 S218 T219P211-N216 HydrophobicContact CB-CB 3.74Å; P211-N216 HydrophobicContact CG-CB 4.2Å; E213-N216 WeakPolarHBondContact O-CA 3.4Å; E213-N216 WeakPolarHBondContact O-CB 3.46Å; E213-N216 PolarHBondContact O-N 3.36Å; N216-S218 PolarHBondContact O-N 3.15Å; N216-T219 WeakPolarHBondContact O-CB 3.41Å; N216-T219 PolarHBondContact O-N 3.2Å; N216-T219 PolarHBondContact O-OG1 3.42Å
217T83.6Confident92.3Very high69 Ų6964.8 Ų64.842%0.42336%0.36SS..G310 helixtrans-59.6-29.5-178.255.10000113.6P211 S212 E213 V214 P215 T219P211-T217 WeakPolarHBondContact O-CA 3.47Å; S212-T217 WeakPolarHBondContact O-CG2 3.34Å; E213-T217 PolarHBondContact O-N 3.17Å; V214-T217 HydrophobicContact CG2-CG2 4.46Å; P215-T217 VanDerWaalsContact C-N 3.28Å; P215-T217 PolarHBondContact O-N 3.44Å; T217-T219 VanDerWaalsContact C-N 3.32Å; T217-T219 PolarHBondContact O-N 3.3Å
218S88.7Confident92.4Very high103 Ų10368 Ų6872%0.7238%0.382SS*.G310 helixtrans-81.2-7.2177.361.30000114.1N216 T220N216-S218 PolarHBondContact O-N 3.15Å; S218-T220 VanDerWaalsContact C-N 3.32Å; S218-T220 PolarHBondContact O-N 3.44Å
219T93Very high92.4Very high28 Ų2866 Ų6617%0.17237%0.371CS..G310 helixtrans-86.51.9-172.468.80000114.1N216 T217 L221 S222 R223N216-T219 WeakPolarHBondContact O-CB 3.41Å; N216-T219 PolarHBondContact O-N 3.2Å; N216-T219 PolarHBondContact O-OG1 3.42Å; T217-T219 VanDerWaalsContact C-N 3.32Å; T217-T219 PolarHBondContact O-N 3.3Å; T219-L221 VanDerWaalsContact C-N 3.35Å; T219-L221 PolarHBondContact O-N 2.89Å; T219-S222 PolarHBondContact O-N 3.16Å; T219-S222 PolarHBondContact O-OG 2.51Å; T219-R223 VanDerWaalsContact O-CG 3.25Å; T219-R223 WeakPolarHBondContact O-CG 3.35Å; T219-R223 PolarHBondContact O-N 3.14Å
220T94.2Very high92.5Very high21 Ų2169.5 Ų69.513%0.12939%0.387CS..Hα-helixtrans-50.3-48.8-173.5-59.50000113.5L73 L209 N210 S218 R223 I224L73-T220 HydrophobicContact CD1-CG2 3.8Å; L209-T220 WeakPolarHBondContact O-CA 3.42Å; N210-T220 HydrophobicContact CB-CG2 4.2Å; N210-T220 PolarHBondContact ND2-OG1 3.47Å; S218-T220 VanDerWaalsContact C-N 3.32Å; S218-T220 PolarHBondContact O-N 3.44Å; T220-R223 PolarHBondContact O-N 3.44Å; T220-I224 HydrophobicContact CG2-CD1 3.84Å; T220-I224 VanDerWaalsContact O-CG1 3.32Å; T220-I224 WeakPolarHBondContact O-CG1 3.38Å; T220-I224 PolarHBondContact O-N 3.31Å
221L94.7Very high92.6Very high121 Ų12168.9 Ų68.963%0.63438%0.383SS*.Hα-helixtrans-65.8-42.4179.6-66.3175.8000112.1T219 R223 I224 F225T219-L221 VanDerWaalsContact C-N 3.35Å; T219-L221 PolarHBondContact O-N 2.89Å; L221-R223 VanDerWaalsContact C-N 3.26Å; L221-R223 PolarHBondContact O-N 3.31Å; L221-I224 PolarHBondContact O-N 3.03Å; L221-F225 HydrophobicContact CB-CD2 4.47Å; L221-F225 HydrophobicContact CD2-CE2 4.13Å; L221-F225 WeakPolarHBondContact O-CD2 3.42Å; L221-F225 PolarHBondContact O-N 3.13Å
222S95.6Very high92.7Very high75 Ų7568 Ų6852%0.52438%0.378SS..Hα-helixtrans-67.7-29.517870.60000112T219 G226T219-S222 PolarHBondContact O-N 3.16Å; T219-S222 PolarHBondContact O-OG 2.51Å; S222-G226 VanDerWaalsContact O-CA 3.28Å; S222-G226 WeakPolarHBondContact O-CA 3.27Å; S222-G226 PolarHBondContact O-N 3.39Å
223R95.6Very high93.1Very high78 Ų7866.8 Ų66.829%0.29437%0.37SS..Hα-helixtrans-68.8-51.6172.1-62.9-70.2-179.4162.4-7.6110.5Q208 L209 P211 T219 T220 L221 F225 G226 R229Q208-R223 WeakPolarHBondContact O-CD 3.42Å; L209-R223 WeakPolarHBondContact O-CB 3.48Å; P211-R223 HydrophobicContact CG-CG 4.38Å; T219-R223 VanDerWaalsContact O-CG 3.25Å; T219-R223 WeakPolarHBondContact O-CG 3.35Å; T219-R223 PolarHBondContact O-N 3.14Å; T220-R223 PolarHBondContact O-N 3.44Å; L221-R223 VanDerWaalsContact C-N 3.26Å; L221-R223 PolarHBondContact O-N 3.31Å; R223-F225 PolarHBondContact O-N 3.19Å; R223-G226 PolarHBondContact O-N 2.79Å; R223-R229 VanDerWaalsContact C-NH1 3.32Å; R223-R229 PolarHBondContact O-NH1 2.81Å
224I95.9Very high93.7Very high15 Ų1563.6 Ų63.68%0.07736%0.355CS..Hα-helixtrans-58.1-45179-69167.7000111.9A36 R39 H40 F77 L209 T220 L221A36-I224 HydrophobicContact CB-CG2 3.67Å; R39-I224 PolarHBondContact NE-O 2.9Å; H40-I224 PolarHBondContact CE1-O 2.75Å; H40-I224 PolarHBondContact NE2-O 2.96Å; F77-I224 HydrophobicContact CE1-CD1 4.41Å; F77-I224 HydrophobicContact CZ-CD1 4.02Å; F77-I224 HydrophobicContact CZ-CG1 4.34Å; L209-I224 HydrophobicContact CB-CG1 4.47Å; T220-I224 HydrophobicContact CG2-CD1 3.84Å; T220-I224 VanDerWaalsContact O-CG1 3.32Å; T220-I224 WeakPolarHBondContact O-CG1 3.38Å; T220-I224 PolarHBondContact O-N 3.31Å; L221-I224 PolarHBondContact O-N 3.03Å
225F95.8Very high94.4Very high126 Ų12657.7 Ų57.755%0.55332%0.319SS*.Hα-helixtrans-89-9.3-176.8-64.8-64.8000114.4R39 L221 R223R39-F225 PolarHBondContact NH2-O 2.93Å; L221-F225 HydrophobicContact CB-CD2 4.47Å; L221-F225 HydrophobicContact CD2-CE2 4.13Å; L221-F225 WeakPolarHBondContact O-CD2 3.42Å; L221-F225 PolarHBondContact O-N 3.13Å; R223-F225 PolarHBondContact O-N 3.19Å
226G95.3Very high95Very high34 Ų3453.4 Ų53.435%0.35129%0.292SS..SBendtrans-80.2-149.5-179.300000114.2S222 R223S222-G226 VanDerWaalsContact O-CA 3.28Å; S222-G226 WeakPolarHBondContact O-CA 3.27Å; S222-G226 PolarHBondContact O-N 3.39Å; R223-G226 PolarHBondContact O-N 2.79Å
227K95.5Very high95.6Very high172 Ų17258 Ų5875%0.74831%0.309SS*.SBendtrans-57.3137.4179.4-66.9-174.6179.4-177.60110.9R229K227-R229 PolarHBondContact O-NH1 2.98Å
228P97Very high96.3Very high87 Ų8757.4 Ų57.457%0.56531%0.307SS*.  trans-52.6144.3171.3-2735.6000111.5R39R39-P228 WeakPolarHBondContact O-CB 3.48Å
229R96.7Very high96.7Very high42 Ų4253.1 Ų53.116%0.15828%0.276CS..  trans-128.5157.7178.3-64.6-169.8-178.170.710.2108.9H40 Q41 L209 R223 K227H40-R229 WeakPolarHBondContact CB-O 3.37Å; H40-R229 PolarHBondContact ND1-N 2.98Å; Q41-R229 PolarHBondContact N-O 3.37Å; L209-R229 HydrophobicContact CD2-CB 4.37Å; L209-R229 HydrophobicContact CD2-CG 4.47Å; R223-R229 VanDerWaalsContact C-NH1 3.32Å; R223-R229 PolarHBondContact O-NH1 2.81Å; K227-R229 PolarHBondContact O-NH1 2.98Å
230Q97.5Very high96.8Very high72 Ų7257.7 Ų57.734%0.33630%0.299SS..EExtended strand (participates in β ladder)trans-78.5136171.3-166168.27.100108.9H288Q230-H288 PolarHBondContact NE2-O 2.75Å; Q230-H288 PolarHBondContact O-CE1 3.06Å; Q230-H288 PolarHBondContact OE1-O 2.86Å; Q230-H288 VanDerWaalsContact OE1-O 3.08Å
231V98.1Very high96.8Very high0 Ų057.4 Ų57.40%030%0.297CS..EExtended strand (participates in β ladder)trans-135122.5172.7176.10000106.9L37 H40 Q41 L42 N43 C204 L206 L209 V233L37-V231 HydrophobicContact CD2-CG1 4.44Å; H40-V231 HydrophobicContact CB-CG2 4.44Å; Q41-V231 PolarHBondContact O-N 2.89Å; L42-V231 CarbonylContact C-O 3.36Å; L42-V231 WeakPolarHBondContact CA-O 3.34Å; L42-V231 HydrophobicContact CD1-CB 4.09Å; L42-V231 HydrophobicContact CD1-CG1 3.7Å; N43-V231 PolarHBondContact N-O 3.45Å; C204-V231 WeakPolarHBondContact O-CA 3.23Å; L206-V231 HydrophobicContact CD2-CG1 3.46Å; L206-V231 VanDerWaalsContact CD2-CG1 3.46Å; L206-V231 HydrophobicContact CD2-CG2 4.37Å; L206-V231 HydrophobicContact CG-CG1 4.14Å; L209-V231 HydrophobicContact CD1-CG2 4.03Å; V231-V233 HydrophobicContact CG1-CG2 4.42Å
232T98.4Very high96.6Very high0 Ų055.8 Ų55.80%029%0.286CS..EExtended strand (participates in β ladder)trans-115.5131.1177-58.40000108.9N43 H203 C204 K287 H288N43-T232 CarbonylContact O-C 3.55Å; N43-T232 WeakPolarHBondContact O-CA 3.35Å; H203-T232 CarbonylContact C-O 3.53Å; H203-T232 VanDerWaalsContact CA-O 3.24Å; H203-T232 WeakPolarHBondContact CA-O 3.27Å; C204-T232 PolarHBondContact N-O 3.14Å; C204-T232 PolarHBondContact O-N 3.03Å; T232-K287 HydrophobicContact CG2-CB 4.41Å; T232-H288 WeakPolarHBondContact CB-ND1 3.41Å; T232-H288 PolarHBondContact OG1-ND1 2.99Å
233V98.6Very high96.5Very high0 Ų058.4 Ų58.40%029%0.294CS..EExtended strand (participates in β ladder)trans-123.9115.1172.3-177.40000107.9L42 N43 V44 V45 L78 L82 V201 H203 V231L42-V233 HydrophobicContact CD1-CG2 4.22Å; N43-V233 PolarHBondContact O-N 3.14Å; V44-V233 CarbonylContact C-O 3.15Å; V44-V233 VanDerWaalsContact CA-O 3.31Å; V44-V233 WeakPolarHBondContact CA-O 3.06Å; V44-V233 HydrophobicContact CG1-CB 4.36Å; V44-V233 HydrophobicContact CG2-CB 4.45Å; V45-V233 PolarHBondContact N-O 3.18Å; L78-V233 HydrophobicContact CD2-CG1 3.89Å; L78-V233 HydrophobicContact CD2-CG2 4.36Å; L82-V233 HydrophobicContact CD2-CG1 3.82Å; L82-V233 HydrophobicContact CG-CG1 4.34Å; V201-V233 HydrophobicContact CG1-CG1 3.74Å; H203-V233 HydrophobicContact CB-CG2 4.1Å; V231-V233 HydrophobicContact CG1-CG2 4.42Å
234L98.5Very high96.5Very high4 Ų456 Ų562%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-104.1122.6179-176.663.8000109.6V45 V201 W202 L280 E283 A284 K287V45-L234 HydrophobicContact CB-CD1 3.47Å; V45-L234 VanDerWaalsContact CB-CD1 3.47Å; V45-L234 HydrophobicContact CG1-CD1 3.36Å; V201-L234 CarbonylContact C-O 3.5Å; V201-L234 WeakPolarHBondContact CA-O 3.45Å; W202-L234 PolarHBondContact N-O 3.44Å; W202-L234 PolarHBondContact O-N 3.33Å; L234-L280 HydrophobicContact CD2-CD1 3.43Å; L234-L280 VanDerWaalsContact CD2-CD1 3.43Å; L234-L280 HydrophobicContact CD2-CG 3.85Å; L234-L280 HydrophobicContact CG-CD1 3.72Å; L234-L280 HydrophobicContact CG-CG 4.15Å; L234-E283 HydrophobicContact CD2-CB 3.75Å; L234-E283 HydrophobicContact CD2-CG 3.66Å; L234-A284 HydrophobicContact CB-CB 3.97Å; L234-A284 HydrophobicContact CD2-CB 3.88Å; L234-K287 HydrophobicContact CD1-CD 4.06Å; L234-K287 HydrophobicContact CD2-CD 4.48Å
235V98.6Very high96.4Very high2 Ų256.2 Ų56.21%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-98.6109.7173.3-177.30000108.7V45 G46 R49 F50 L82 I199 V201V45-V235 PolarHBondContact O-N 2.89Å; G46-V235 WeakPolarHBondContact O-CB 3.46Å; R49-V235 PolarHBondContact NH1-O 2.95Å; F50-V235 HydrophobicContact CB-CG1 3.99Å; F50-V235 HydrophobicContact CB-CG2 4.18Å; F50-V235 HydrophobicContact CD2-CG1 4.38Å; L82-V235 HydrophobicContact CD2-CG2 3.58Å; I199-V235 HydrophobicContact CG2-CG1 3.53Å; V201-V235 HydrophobicContact CG2-CG2 4.48Å
236G98.2Very high96.3Very high7 Ų753.3 Ų53.37%0.07228%0.275CS..PPolyproline II helixtrans-68.8171.5178.900000113.2R49 P200R49-G236 WeakPolarHBondContact CD-O 3.24Å; P200-G236 PolarHBondContact O-N 2.87Å
237K97.8Very high96.3Very high162 Ų16255.8 Ų55.870%0.70428%0.278SS*.PPolyproline II helixtrans-67.6153.4170.4-65.8-179.7-177.4177.70109.8P200 I239P200-K237 WeakPolarHBondContact CD-O 3.39Å; K237-I239 PolarHBondContact O-N 2.85Å
238P97.7Very high96.3Very high57 Ų5748.4 Ų48.437%0.3725%0.246SC..PPolyproline II helixtrans-60.3138.9175-17.433.8000110L197 V198 I199 D240L197-P238 HydrophobicContact CD1-CB 3.5Å; L197-P238 VanDerWaalsContact CD1-CB 3.5Å; L197-P238 HydrophobicContact CD1-CG 3.77Å; L197-P238 HydrophobicContact CG-CB 4.36Å; V198-P238 CarbonylContact O-C 3.55Å; V198-P238 WeakPolarHBondContact O-CA 3.49Å; I199-P238 HydrophobicContact CG1-CB 4.33Å; I199-P238 HydrophobicContact CG1-CG 4.3Å; P238-D240 PolarHBondContact O-N 3.17Å
239I98Very high96.2Very high13 Ų1349.3 Ų49.37%0.06724%0.241CC..PPolyproline II helixtrans-75.2123.6-179.5-56.3-179.6000107.6V198 P200 K237 T241 V272 V273 Q276V198-I239 HydrophobicContact CB-CB 4.19Å; V198-I239 HydrophobicContact CG1-CB 4.39Å; V198-I239 HydrophobicContact CG1-CD1 3.93Å; V198-I239 HydrophobicContact CG1-CG1 4.35Å; V198-I239 PolarHBondContact O-N 3.1Å; P200-I239 HydrophobicContact CB-CD1 4.3Å; P200-I239 HydrophobicContact CG-CD1 4.11Å; P200-I239 HydrophobicContact CG-CG1 4Å; K237-I239 PolarHBondContact O-N 2.85Å; I239-T241 HydrophobicContact CG2-CG2 4.01Å; I239-T241 PolarHBondContact O-N 2.82Å; I239-V272 HydrophobicContact CG2-CG1 3.67Å; I239-V273 HydrophobicContact CD1-CB 4.29Å; I239-V273 HydrophobicContact CD1-CG1 4.17Å; I239-V273 HydrophobicContact CD1-CG2 4.08Å; I239-Q276 HydrophobicContact CD1-CB 3.81Å; I239-Q276 HydrophobicContact CD1-CG 4.27Å; I239-Q276 HydrophobicContact CG1-CB 3.95Å; I239-Q276 HydrophobicContact CG1-CG 4.06Å; I239-Q276 HydrophobicContact CG2-CG 4.02Å
240D95Very high96.2Very high124 Ų12455.4 Ų55.466%0.66327%0.269SS*.PPolyproline II helixtrans-77.2120.8173.2-168.2-6.4000109.5P238 H242P238-D240 PolarHBondContact O-N 3.17Å; D240-H242 WeakPolarHBondContact OD1-CB 3.45Å; D240-H242 PolarHBondContact OD1-N 3.35Å
241T93.8Very high96.1Very high14 Ų1454.5 Ų54.59%0.08627%0.266CS..  trans-123.517.8175.167.20000111.6I189 I239 D243 L244 R245 Y269I189-T241 HydrophobicContact CG2-CG2 4.44Å; I239-T241 HydrophobicContact CG2-CG2 4.01Å; I239-T241 PolarHBondContact O-N 2.82Å; T241-D243 PolarHBondContact O-N 3.44Å; T241-L244 PolarHBondContact O-N 3.35Å; T241-R245 WeakPolarHBondContact O-CB 3.43Å; T241-R245 PolarHBondContact O-N 3.02Å; T241-Y269 HydrophobicContact CG2-CD1 4.17Å; T241-Y269 HydrophobicContact CG2-CE1 4.33Å
242H90.9Very high95.9Very high88 Ų8857.1 Ų57.141%0.40729%0.285SS..Hα-helixtrans-58.9-46.4-173.5-173.480000112.2D240 R245 Q246D240-H242 WeakPolarHBondContact OD1-CB 3.45Å; D240-H242 PolarHBondContact OD1-N 3.35Å; H242-R245 WeakPolarHBondContact O-CA 3.37Å; H242-R245 VanDerWaalsContact O-CB 3.28Å; H242-R245 WeakPolarHBondContact O-CB 3.24Å; H242-R245 PolarHBondContact O-N 3.23Å; H242-R245 VanDerWaalsContact O-N 3.08Å; H242-Q246 PolarHBondContact CE1-NE2 3.14Å; H242-Q246 PolarHBondContact NE2-NE2 2.51Å; H242-Q246 WeakPolarHBondContact O-CG 3.26Å; H242-Q246 PolarHBondContact O-N 2.91Å
243D93.3Very high95.7Very high129 Ų12961.6 Ų61.669%0.6932%0.316SS*.Hα-helixtrans-63.8-47.6-177.2-66.1-23.3000112T241 R245 Q246 E247T241-D243 PolarHBondContact O-N 3.44Å; D243-R245 PolarHBondContact O-N 3.01Å; D243-Q246 PolarHBondContact O-N 3.32Å; D243-Q246 VanDerWaalsContact O-N 3.14Å; D243-E247 PolarHBondContact O-N 3.2Å
244L95.5Very high95.6Very high28 Ų2866.3 Ų66.315%0.14734%0.338CS..Hα-helixtrans-58.9-32.2174-68.8-178.2000112T241 L248 M268 Y269 V272T241-L244 PolarHBondContact O-N 3.35Å; L244-L248 WeakPolarHBondContact O-CB 3.34Å; L244-L248 PolarHBondContact O-N 3.13Å; L244-M268 HydrophobicContact CD2-CB 4.17Å; L244-M268 HydrophobicContact CD2-CE 3.65Å; L244-Y269 HydrophobicContact CB-CD1 4.28Å; L244-Y269 HydrophobicContact CB-CE1 3.74Å; L244-Y269 HydrophobicContact CB-CE2 4.12Å; L244-Y269 HydrophobicContact CD1-CD1 3.82Å; L244-Y269 HydrophobicContact CD1-CD2 4.45Å; L244-Y269 HydrophobicContact CD1-CE1 4.14Å; L244-Y269 HydrophobicContact CD1-CG 4.01Å; L244-Y269 PolarHBondContact O-OH 3.22Å; L244-Y269 VanDerWaalsContact O-OH 3.14Å; L244-V272 HydrophobicContact CD1-CB 4.42Å; L244-V272 HydrophobicContact CD1-CG2 3.7Å
245R93.9Very high95.4Very high19 Ų1967.1 Ų67.17%0.07234%0.341CS..Hα-helixtrans-71.9-41.7177.8-172.264.7165-177.72.4112A190 S192 K193 D195 T241 H242 D243 E247 L248 K249 Y269A190-R245 PolarHBondContact O-NH1 3.23Å; S192-R245 VanDerWaalsContact O-CZ 3.25Å; S192-R245 PolarHBondContact O-NH1 2.83Å; S192-R245 PolarHBondContact O-NH2 3.25Å; K193-R245 PolarHBondContact O-NH2 2.89Å; D195-R245 WeakPolarHBondContact OD1-CD 3.46Å; D195-R245 VanDerWaalsContact OD1-CG 3.31Å; D195-R245 WeakPolarHBondContact OD1-CG 3.4Å; D195-R245 IonicContact OD1-CZ 3.31Å; D195-R245 IonicContact OD1-NE 3.93Å; D195-R245 PolarHBondContact OD1-NE 3.46Å; D195-R245 IonicContact OD1-NH2 2.96Å; T241-R245 WeakPolarHBondContact O-CB 3.43Å; T241-R245 PolarHBondContact O-N 3.02Å; H242-R245 WeakPolarHBondContact O-CA 3.37Å; H242-R245 VanDerWaalsContact O-CB 3.28Å; H242-R245 WeakPolarHBondContact O-CB 3.24Å; H242-R245 PolarHBondContact O-N 3.23Å; H242-R245 VanDerWaalsContact O-N 3.08Å; D243-R245 PolarHBondContact O-N 3.01Å; R245-E247 VanDerWaalsContact C-N 3.34Å; R245-L248 PolarHBondContact O-N 2.88Å; R245-K249 WeakPolarHBondContact O-CG 3.31Å; R245-K249 PolarHBondContact O-N 2.91Å; R245-Y269 WeakPolarHBondContact CA-OH 3.32Å; R245-Y269 PolarHBondContact N-OH 3.15Å
246Q94.4Very high95.2Very high66 Ų6673.7 Ų73.731%0.30838%0.375SS..Hα-helixtrans-65.3-40.7174.8-63.6-57-20.200111.4H242 D243 K249 K250H242-Q246 PolarHBondContact CE1-NE2 3.14Å; H242-Q246 PolarHBondContact NE2-NE2 2.51Å; H242-Q246 WeakPolarHBondContact O-CG 3.26Å; H242-Q246 PolarHBondContact O-N 2.91Å; D243-Q246 PolarHBondContact O-N 3.32Å; D243-Q246 VanDerWaalsContact O-N 3.14Å; Q246-K249 PolarHBondContact O-N 2.65Å; Q246-K250 WeakPolarHBondContact O-CG 3.12Å; Q246-K250 PolarHBondContact O-N 3.18Å
247E94.9Very high95Very high86 Ų8677.6 Ų77.640%0.40241%0.407SS..Hα-helixtrans-62-46.8175.2-171.6175.3-173.700111.8D243 R245 K249 K250 N251D243-E247 PolarHBondContact O-N 3.2Å; R245-E247 VanDerWaalsContact C-N 3.34Å; E247-K249 VanDerWaalsContact C-N 3.32Å; E247-K249 PolarHBondContact O-N 3.1Å; E247-K250 PolarHBondContact O-N 3.43Å; E247-N251 PolarHBondContact O-N 2.9Å; E247-N251 PolarHBondContact O-ND2 2.74Å
248L96.1Very high94.9Very high16 Ų1671.5 Ų71.58%0.08439%0.385CS..Hα-helixtrans-59.6-40.6175176.957.6000112.3A190 L244 R245 N251 S252 Y255 T265 Y269A190-L248 HydrophobicContact CB-CD2 3.98Å; L244-L248 WeakPolarHBondContact O-CB 3.34Å; L244-L248 PolarHBondContact O-N 3.13Å; R245-L248 PolarHBondContact O-N 2.88Å; L248-N251 CarbonylContact O-C 3.56Å; L248-N251 PolarHBondContact O-N 3.08Å; L248-S252 WeakPolarHBondContact O-CA 3.15Å; L248-S252 PolarHBondContact O-N 2.8Å; L248-Y255 HydrophobicContact CD1-CD1 4.11Å; L248-Y255 HydrophobicContact CD1-CD2 3.37Å; L248-Y255 HydrophobicContact CD1-CE2 3.96Å; L248-Y255 HydrophobicContact CD1-CG 3.47Å; L248-Y255 VanDerWaalsContact CD1-CG 3.47Å; L248-T265 HydrophobicContact CD1-CG2 4.07Å; L248-T265 HydrophobicContact CD2-CG2 4.42Å; L248-Y269 HydrophobicContact CD2-CE2 4.26Å
249K94.5Very high94.8Very high106 Ų10672.4 Ų72.446%0.46139%0.392SS..Hα-helixtrans-62.4-44.6176.8-76.7173.5-178.5172.20111.6R245 Q246 E247 N251 S252R245-K249 WeakPolarHBondContact O-CG 3.31Å; R245-K249 PolarHBondContact O-N 2.91Å; Q246-K249 PolarHBondContact O-N 2.65Å; E247-K249 VanDerWaalsContact C-N 3.32Å; E247-K249 PolarHBondContact O-N 3.1Å; K249-N251 VanDerWaalsContact C-N 3.33Å; K249-N251 PolarHBondContact O-N 3.09Å; K249-S252 WeakPolarHBondContact O-CB 3.18Å; K249-S252 PolarHBondContact O-N 3.12Å; K249-S252 PolarHBondContact O-OG 3.25Å; K249-S252 VanDerWaalsContact O-OG 3.08Å
250K96.1Very high94.7Very high170 Ų17079.2 Ų79.274%0.73942%0.424SS*.Hα-helixtrans-61.9-40.7176.8-71172.3-177.4177.50111.9Q246 E247Q246-K250 WeakPolarHBondContact O-CG 3.12Å; Q246-K250 PolarHBondContact O-N 3.18Å; E247-K250 PolarHBondContact O-N 3.43Å
251N95.3Very high94.7Very high54 Ų5474.8 Ų74.829%0.28940%0.399SS..THydrogen-bonded Turntrans-99.726.3-177.2-58.9-36.5000112.9E247 L248 K249 S253 E254 Y255 F261E247-N251 PolarHBondContact O-N 2.9Å; E247-N251 PolarHBondContact O-ND2 2.74Å; L248-N251 CarbonylContact O-C 3.56Å; L248-N251 PolarHBondContact O-N 3.08Å; K249-N251 VanDerWaalsContact C-N 3.33Å; K249-N251 PolarHBondContact O-N 3.09Å; N251-S253 VanDerWaalsContact C-N 3.35Å; N251-S253 PolarHBondContact O-N 3.36Å; N251-E254 PolarHBondContact O-N 3.39Å; N251-Y255 PolarHBondContact O-N 2.68Å; N251-F261 HydrophobicContact CB-CE1 3.85Å; N251-F261 HydrophobicContact CB-CZ 3.58Å
252S94.1Very high94.8Very high55 Ų5577.6 Ų77.639%0.38541%0.408SS..Hα-helixtrans-62.7-38.4-172.4540000113.2L248 K249 Y255 L256L248-S252 WeakPolarHBondContact O-CA 3.15Å; L248-S252 PolarHBondContact O-N 2.8Å; K249-S252 WeakPolarHBondContact O-CB 3.18Å; K249-S252 PolarHBondContact O-N 3.12Å; K249-S252 PolarHBondContact O-OG 3.25Å; K249-S252 VanDerWaalsContact O-OG 3.08Å; S252-Y255 PolarHBondContact O-N 3.32Å; S252-L256 WeakPolarHBondContact O-CG 3.25Å; S252-L256 PolarHBondContact O-N 3.45Å
253S95.5Very high95Very high94 Ų9475.1 Ų75.166%0.65740%0.401SS*.Hα-helixtrans-63.2-41.6175.8-54.80000112.2N251 L256 A257N251-S253 VanDerWaalsContact C-N 3.35Å; N251-S253 PolarHBondContact O-N 3.36Å; S253-L256 PolarHBondContact O-N 2.93Å; S253-A257 WeakPolarHBondContact O-CB 3.27Å; S253-A257 PolarHBondContact O-N 3.4Å
254E94.9Very high95.2Very high98 Ų9873.7 Ų73.746%0.45839%0.392SS..Hα-helixtrans-69-41.1177.9-171174.8-174.100111.4N251 L256 A257 S258 F261N251-E254 PolarHBondContact O-N 3.39Å; E254-L256 VanDerWaalsContact C-N 3.28Å; E254-L256 PolarHBondContact O-N 2.73Å; E254-A257 PolarHBondContact O-N 2.63Å; E254-A257 VanDerWaalsContact O-N 3.15Å; E254-S258 WeakPolarHBondContact O-CB 3.48Å; E254-S258 PolarHBondContact O-N 2.92Å; E254-F261 HydrophobicContact CB-CG 4.49Å; E254-F261 HydrophobicContact CG-CB 4.13Å; E254-F261 HydrophobicContact CG-CD1 4.28Å; E254-F261 HydrophobicContact CG-CD2 3.74Å; E254-F261 HydrophobicContact CG-CE2 4.21Å; E254-F261 HydrophobicContact CG-CG 3.78Å; E254-F261 VanDerWaalsContact OE1-CD2 3.32Å; E254-F261 WeakPolarHBondContact OE1-CD2 3.31Å; E254-F261 WeakPolarHBondContact OE2-CE2 3.28Å
255Y95.3Very high95.2Very high21 Ų2172.8 Ų72.88%0.08239%0.388CS..Hα-helixtrans-58-39.2172.8-178.5-89.4000112.2E191 L248 N251 S252 F261 R262 T265 H266E191-Y255 VanDerWaalsContact CG-OH 3.22Å; E191-Y255 WeakPolarHBondContact CG-OH 3.43Å; E191-Y255 PolarHBondContact OE1-OH 2.67Å; E191-Y255 VanDerWaalsContact OE1-OH 3.13Å; L248-Y255 HydrophobicContact CD1-CD1 4.11Å; L248-Y255 HydrophobicContact CD1-CD2 3.37Å; L248-Y255 HydrophobicContact CD1-CE2 3.96Å; L248-Y255 HydrophobicContact CD1-CG 3.47Å; L248-Y255 VanDerWaalsContact CD1-CG 3.47Å; N251-Y255 PolarHBondContact O-N 2.68Å; S252-Y255 PolarHBondContact O-N 3.32Å; Y255-F261 HydrophobicContact CD2-CD1 4.34Å; Y255-R262 HydrophobicContact CD1-CG 4.09Å; Y255-R262 HydrophobicContact CD2-CB 4.29Å; Y255-R262 HydrophobicContact CD2-CG 3.69Å; Y255-R262 HydrophobicContact CE1-CG 4Å; Y255-R262 HydrophobicContact CE2-CB 3.96Å; Y255-R262 HydrophobicContact CE2-CG 3.61Å; Y255-R262 HydrophobicContact CG-CG 3.93Å; Y255-R262 WeakPolarHBondContact O-CD 2.99Å; Y255-R262 WeakPolarHBondContact O-CG 3.28Å; Y255-T265 HydrophobicContact CD2-CG2 4.01Å; Y255-T265 HydrophobicContact CE2-CG2 3.8Å; Y255-H266 AromaticContact CE2-NE2 3.99Å; Y255-H266 AromaticContact CZ-NE2 3.81Å; Y255-H266 PolarHBondContact OH-NE2 3.34Å
256L93.4Very high95.4Very high140 Ų14072 Ų7273%0.73339%0.385SS*.Hα-helixtrans-73.4-32.6177-68.9172.1000112.8S252 S253 E254S252-L256 WeakPolarHBondContact O-CG 3.25Å; S252-L256 PolarHBondContact O-N 3.45Å; S253-L256 PolarHBondContact O-N 2.93Å; E254-L256 VanDerWaalsContact C-N 3.28Å; E254-L256 PolarHBondContact O-N 2.73Å
257A95.2Very high95.5Very high89 Ų8970.6 Ų70.674%0.73638%0.383SS*.Hα-helixtrans-85.5-33-174.800000114.1S253 E254S253-A257 WeakPolarHBondContact O-CB 3.27Å; S253-A257 PolarHBondContact O-N 3.4Å; E254-A257 PolarHBondContact O-N 2.63Å; E254-A257 VanDerWaalsContact O-N 3.15Å
258S96.2Very high95.7Very high35 Ų3569.3 Ų69.325%0.24538%0.377CS..  trans-113.7119.7-169.7175.60000112.8E254 E260 F261 R262E254-S258 WeakPolarHBondContact O-CB 3.48Å; E254-S258 PolarHBondContact O-N 2.92Å; S258-E260 VanDerWaalsContact C-N 3.27Å; S258-E260 PolarHBondContact O-N 2.94Å; S258-E260 PolarHBondContact OG-N 3.48Å; S258-F261 PolarHBondContact O-N 3.44Å; S258-F261 PolarHBondContact OG-N 3.01Å; S258-F261 VanDerWaalsContact OG-N 3.1Å; S258-R262 WeakPolarHBondContact O-CG 3.42Å; S258-R262 PolarHBondContact O-N 3.49Å; S258-R262 VanDerWaalsContact O-N 3.09Å
259S94.7Very high95.7Very high76 Ų7668.6 Ų68.653%0.53137%0.374SS..Hα-helixtrans-65-31.9172.256.50000112.8S263S259-S263 WeakPolarHBondContact O-CB 3.37Å; S259-S263 PolarHBondContact O-N 3.1Å; S259-S263 PolarHBondContact O-OG 3.45Å
260E95.1Very high95.9Very high155 Ų15563.7 Ų63.772%0.72435%0.353SS*.Hα-helixtrans-67.5-48176.5-175.2172.5-167.800110.5S258 R262 S263 L264S258-E260 VanDerWaalsContact C-N 3.27Å; S258-E260 PolarHBondContact O-N 2.94Å; S258-E260 PolarHBondContact OG-N 3.48Å; E260-R262 VanDerWaalsContact C-N 3.32Å; E260-R262 PolarHBondContact O-N 3.32Å; E260-S263 WeakPolarHBondContact O-CB 3.36Å; E260-S263 PolarHBondContact O-N 3.05Å; E260-S263 VanDerWaalsContact O-N 3.09Å; E260-L264 PolarHBondContact O-N 2.8Å
261F95Very high96Very high32 Ų3260.4 Ų60.414%0.1434%0.34CS..Hα-helixtrans-62.3-39.3177.8-164.5-87.8000112N251 E254 Y255 S258 S263 L264 T265N251-F261 HydrophobicContact CB-CE1 3.85Å; N251-F261 HydrophobicContact CB-CZ 3.58Å; E254-F261 HydrophobicContact CB-CG 4.49Å; E254-F261 HydrophobicContact CG-CB 4.13Å; E254-F261 HydrophobicContact CG-CD1 4.28Å; E254-F261 HydrophobicContact CG-CD2 3.74Å; E254-F261 HydrophobicContact CG-CE2 4.21Å; E254-F261 HydrophobicContact CG-CG 3.78Å; E254-F261 VanDerWaalsContact OE1-CD2 3.32Å; E254-F261 WeakPolarHBondContact OE1-CD2 3.31Å; E254-F261 WeakPolarHBondContact OE2-CE2 3.28Å; Y255-F261 HydrophobicContact CD2-CD1 4.34Å; S258-F261 PolarHBondContact O-N 3.44Å; S258-F261 PolarHBondContact OG-N 3.01Å; S258-F261 VanDerWaalsContact OG-N 3.1Å; F261-S263 PolarHBondContact O-N 2.9Å; F261-L264 PolarHBondContact O-N 3.45Å; F261-T265 WeakPolarHBondContact O-CB 3.45Å; F261-T265 PolarHBondContact O-N 3.19Å; F261-T265 PolarHBondContact O-OG1 2.97Å
262R96.4Very high96.1Very high72 Ų7259.6 Ų59.627%0.27234%0.337SS..Hα-helixtrans-59.6-45.9172.1-71.1-171-74.1161.6-2.2112.3Y142 Y255 S258 E260 L264 T265 H266Y142-R262 WeakPolarHBondContact OH-CB 3.45Å; Y255-R262 HydrophobicContact CD1-CG 4.09Å; Y255-R262 HydrophobicContact CD2-CB 4.29Å; Y255-R262 HydrophobicContact CD2-CG 3.69Å; Y255-R262 HydrophobicContact CE1-CG 4Å; Y255-R262 HydrophobicContact CE2-CB 3.96Å; Y255-R262 HydrophobicContact CE2-CG 3.61Å; Y255-R262 HydrophobicContact CG-CG 3.93Å; Y255-R262 WeakPolarHBondContact O-CD 2.99Å; Y255-R262 WeakPolarHBondContact O-CG 3.28Å; S258-R262 WeakPolarHBondContact O-CG 3.42Å; S258-R262 PolarHBondContact O-N 3.49Å; S258-R262 VanDerWaalsContact O-N 3.09Å; E260-R262 VanDerWaalsContact C-N 3.32Å; E260-R262 PolarHBondContact O-N 3.32Å; R262-L264 VanDerWaalsContact C-N 3.34Å; R262-L264 PolarHBondContact O-N 3.35Å; R262-T265 WeakPolarHBondContact O-CB 3.21Å; R262-T265 PolarHBondContact O-N 3.04Å; R262-H266 PolarHBondContact O-CD2 3.35Å; R262-H266 VanDerWaalsContact O-CD2 3.28Å; R262-H266 PolarHBondContact O-N 2.83Å
263S96Very high96.3Very high37 Ų3757 Ų5726%0.25932%0.319SS..Hα-helixtrans-64.5-40.5-179.1-57.80000111.5S259 E260 F261 H266 S267S259-S263 WeakPolarHBondContact O-CB 3.37Å; S259-S263 PolarHBondContact O-N 3.1Å; S259-S263 PolarHBondContact O-OG 3.45Å; E260-S263 WeakPolarHBondContact O-CB 3.36Å; E260-S263 PolarHBondContact O-N 3.05Å; E260-S263 VanDerWaalsContact O-N 3.09Å; F261-S263 PolarHBondContact O-N 2.9Å; S263-H266 PolarHBondContact O-N 3.18Å; S263-S267 WeakPolarHBondContact O-CB 3.48Å; S263-S267 PolarHBondContact O-N 3.32Å
264L96.5Very high96.4Very high98 Ų9854.5 Ų54.551%0.51330%0.297SS..Hα-helixtrans-60.6-50.6172.9178.861.5000111.1E260 F261 R262 H266 S267 M268E260-L264 PolarHBondContact O-N 2.8Å; F261-L264 PolarHBondContact O-N 3.45Å; R262-L264 VanDerWaalsContact C-N 3.34Å; R262-L264 PolarHBondContact O-N 3.35Å; L264-H266 PolarHBondContact O-N 2.94Å; L264-S267 WeakPolarHBondContact O-CA 3.49Å; L264-S267 WeakPolarHBondContact O-CB 3.47Å; L264-S267 PolarHBondContact O-N 3.08Å; L264-M268 HydrophobicContact CD1-CG 4.46Å; L264-M268 HydrophobicContact CG-SD 4.16Å; L264-M268 WeakPolarHBondContact O-CG 3.39Å; L264-M268 PolarHBondContact O-N 3.34Å
265T96.5Very high96.5Very high10 Ų1054.5 Ų54.56%0.06130%0.297CS..Hα-helixtrans-55.4-49.8177-590000110.9A190 L248 Y255 F261 R262 S267 M268 Y269A190-T265 HydrophobicContact CB-CG2 4.26Å; L248-T265 HydrophobicContact CD1-CG2 4.07Å; L248-T265 HydrophobicContact CD2-CG2 4.42Å; Y255-T265 HydrophobicContact CD2-CG2 4.01Å; Y255-T265 HydrophobicContact CE2-CG2 3.8Å; F261-T265 WeakPolarHBondContact O-CB 3.45Å; F261-T265 PolarHBondContact O-N 3.19Å; F261-T265 PolarHBondContact O-OG1 2.97Å; R262-T265 WeakPolarHBondContact O-CB 3.21Å; R262-T265 PolarHBondContact O-N 3.04Å; T265-S267 VanDerWaalsContact C-N 3.26Å; T265-S267 PolarHBondContact O-N 2.91Å; T265-M268 PolarHBondContact O-N 3.29Å; T265-Y269 HydrophobicContact CG2-CD2 3.88Å; T265-Y269 HydrophobicContact CG2-CE2 3.73Å; T265-Y269 WeakPolarHBondContact O-CD2 3.18Å; T265-Y269 PolarHBondContact O-N 3.37Å; T265-Y269 VanDerWaalsContact O-N 3.09Å
266H97.4Very high96.6Very high1 Ų157.2 Ų57.21%0.00531%0.31CS..Hα-helixtrans-59.8-38.4177.5-63.6171000111.7Y142 W183 G186 E191 Y255 R262 S263 L264 T270Y142-H266 AromaticContact CZ-CE1 3.85Å; Y142-H266 PolarHBondContact OH-CE1 2.85Å; Y142-H266 VanDerWaalsContact OH-CE1 3.27Å; W183-H266 HydrophobicContact CB-CB 4.49Å; G186-H266 WeakPolarHBondContact CA-O 3.22Å; E191-H266 IonicContact OE1-CE1 2.73Å; E191-H266 IonicContact OE1-NE2 2.84Å; Y255-H266 AromaticContact CE2-NE2 3.99Å; Y255-H266 AromaticContact CZ-NE2 3.81Å; Y255-H266 PolarHBondContact OH-NE2 3.34Å; R262-H266 PolarHBondContact O-CD2 3.35Å; R262-H266 VanDerWaalsContact O-CD2 3.28Å; R262-H266 PolarHBondContact O-N 2.83Å; S263-H266 PolarHBondContact O-N 3.18Å; L264-H266 PolarHBondContact O-N 2.94Å; H266-T270 VanDerWaalsContact O-CB 3.29Å; H266-T270 WeakPolarHBondContact O-CB 3.41Å; H266-T270 PolarHBondContact O-N 3.09Å; H266-T270 PolarHBondContact O-OG1 3.4Å
267S97.2Very high96.8Very high38 Ų3850.6 Ų50.627%0.26628%0.275SS..Hα-helixtrans-65.3-43176.2-1690000111.9S263 L264 T265 T270 Q271S263-S267 WeakPolarHBondContact O-CB 3.48Å; S263-S267 PolarHBondContact O-N 3.32Å; L264-S267 WeakPolarHBondContact O-CA 3.49Å; L264-S267 WeakPolarHBondContact O-CB 3.47Å; L264-S267 PolarHBondContact O-N 3.08Å; T265-S267 VanDerWaalsContact C-N 3.26Å; T265-S267 PolarHBondContact O-N 2.91Å; S267-T270 PolarHBondContact O-N 2.91Å; S267-Q271 WeakPolarHBondContact O-CB 3.25Å; S267-Q271 PolarHBondContact O-N 2.81Å
268M97.4Very high96.9Very high58 Ų5847.3 Ų47.329%0.28624%0.244SC..Hα-helixtrans-61.4-50.1178.3-67.8168.876.200111.8L244 L264 T265 T270 Q271 V272L244-M268 HydrophobicContact CD2-CB 4.17Å; L244-M268 HydrophobicContact CD2-CE 3.65Å; L264-M268 HydrophobicContact CD1-CG 4.46Å; L264-M268 HydrophobicContact CG-SD 4.16Å; L264-M268 WeakPolarHBondContact O-CG 3.39Å; L264-M268 PolarHBondContact O-N 3.34Å; T265-M268 PolarHBondContact O-N 3.29Å; M268-T270 VanDerWaalsContact C-N 3.28Å; M268-T270 PolarHBondContact O-N 3.16Å; M268-Q271 WeakPolarHBondContact O-CB 3.47Å; M268-Q271 PolarHBondContact O-N 3.06Å; M268-Q271 VanDerWaalsContact O-N 3.16Å; M268-V272 PolarHBondContact O-N 3.15Å; M268-V272 VanDerWaalsContact O-N 3.12Å
269Y98Very high96.9Very high1 Ų152.5 Ų52.50%0.00426%0.262CS..Hα-helixtrans-59.3-41.8174.2-81.2-80.5000111.7I189 A190 T241 L244 R245 L248 T265 Q271 V272 V273I189-Y269 HydrophobicContact CB-CD1 3.98Å; I189-Y269 HydrophobicContact CB-CE1 4.4Å; I189-Y269 HydrophobicContact CB-CG 4.42Å; I189-Y269 HydrophobicContact CG2-CD1 3.38Å; I189-Y269 HydrophobicContact CG2-CE1 3.44Å; I189-Y269 VanDerWaalsContact CG2-CE1 3.44Å; I189-Y269 HydrophobicContact CG2-CG 4.26Å; A190-Y269 HydrophobicContact CB-CD2 3.97Å; A190-Y269 HydrophobicContact CB-CE2 3.87Å; T241-Y269 HydrophobicContact CG2-CD1 4.17Å; T241-Y269 HydrophobicContact CG2-CE1 4.33Å; L244-Y269 HydrophobicContact CB-CD1 4.28Å; L244-Y269 HydrophobicContact CB-CE1 3.74Å; L244-Y269 HydrophobicContact CB-CE2 4.12Å; L244-Y269 HydrophobicContact CD1-CD1 3.82Å; L244-Y269 HydrophobicContact CD1-CD2 4.45Å; L244-Y269 HydrophobicContact CD1-CE1 4.14Å; L244-Y269 HydrophobicContact CD1-CG 4.01Å; L244-Y269 PolarHBondContact O-OH 3.22Å; L244-Y269 VanDerWaalsContact O-OH 3.14Å; R245-Y269 WeakPolarHBondContact CA-OH 3.32Å; R245-Y269 PolarHBondContact N-OH 3.15Å; L248-Y269 HydrophobicContact CD2-CE2 4.26Å; T265-Y269 HydrophobicContact CG2-CD2 3.88Å; T265-Y269 HydrophobicContact CG2-CE2 3.73Å; T265-Y269 WeakPolarHBondContact O-CD2 3.18Å; T265-Y269 PolarHBondContact O-N 3.37Å; T265-Y269 VanDerWaalsContact O-N 3.09Å; Y269-Q271 VanDerWaalsContact C-N 3.29Å; Y269-Q271 PolarHBondContact O-N 3.18Å; Y269-V272 PolarHBondContact O-N 3.29Å; Y269-V273 VanDerWaalsContact O-CG2 3.25Å; Y269-V273 WeakPolarHBondContact O-CG2 3.43Å; Y269-V273 PolarHBondContact O-N 2.95Å; Y269-V273 VanDerWaalsContact O-N 3.13Å
270T98.1Very high97Very high3 Ų349.4 Ų49.42%0.01824%0.24CC..Hα-helixtrans-63.5-37.1178.4-58.30000111.8L181 W183 I185 G186 H266 S267 M268 V273 Q274L181-T270 HydrophobicContact CB-CG2 3.78Å; W183-T270 WeakPolarHBondContact CA-OG1 3.36Å; I185-T270 HydrophobicContact CG2-CG2 3.8Å; G186-T270 WeakPolarHBondContact CA-OG1 3.4Å; G186-T270 PolarHBondContact N-OG1 3.4Å; H266-T270 VanDerWaalsContact O-CB 3.29Å; H266-T270 WeakPolarHBondContact O-CB 3.41Å; H266-T270 PolarHBondContact O-N 3.09Å; H266-T270 PolarHBondContact O-OG1 3.4Å; S267-T270 PolarHBondContact O-N 2.91Å; M268-T270 VanDerWaalsContact C-N 3.28Å; M268-T270 PolarHBondContact O-N 3.16Å; T270-V273 PolarHBondContact O-N 2.7Å; T270-Q274 VanDerWaalsContact O-CB 3.29Å; T270-Q274 WeakPolarHBondContact O-CB 3.4Å; T270-Q274 PolarHBondContact O-N 3.47Å
271Q97.4Very high97.1Very high102 Ų10242.8 Ų42.848%0.47721%0.209SC..Hα-helixtrans-65.5-48.6178.5179.2176.7-10.500111.6S267 M268 Y269 V273 Q274 E275S267-Q271 WeakPolarHBondContact O-CB 3.25Å; S267-Q271 PolarHBondContact O-N 2.81Å; M268-Q271 WeakPolarHBondContact O-CB 3.47Å; M268-Q271 PolarHBondContact O-N 3.06Å; M268-Q271 VanDerWaalsContact O-N 3.16Å; Y269-Q271 VanDerWaalsContact C-N 3.29Å; Y269-Q271 PolarHBondContact O-N 3.18Å; Q271-V273 PolarHBondContact O-N 3.23Å; Q271-Q274 WeakPolarHBondContact O-CB 3.48Å; Q271-Q274 PolarHBondContact O-N 3.14Å; Q271-E275 WeakPolarHBondContact CG-OE1 3.49Å; Q271-E275 PolarHBondContact NE2-OE1 2.86Å; Q271-E275 WeakPolarHBondContact O-CG 3.3Å; Q271-E275 PolarHBondContact O-N 3.37Å
272V97.6Very high97.1Very high37 Ų3747.6 Ų47.622%0.22423%0.231CC..Hα-helixtrans-56.4-44.1176173.30000110.5I239 L244 M268 Y269 Q274 E275 Q276I239-V272 HydrophobicContact CG2-CG1 3.67Å; L244-V272 HydrophobicContact CD1-CB 4.42Å; L244-V272 HydrophobicContact CD1-CG2 3.7Å; M268-V272 PolarHBondContact O-N 3.15Å; M268-V272 VanDerWaalsContact O-N 3.12Å; Y269-V272 PolarHBondContact O-N 3.29Å; V272-Q274 PolarHBondContact O-N 2.9Å; V272-E275 PolarHBondContact O-N 2.64Å; V272-Q276 WeakPolarHBondContact O-CG 3.25Å; V272-Q276 PolarHBondContact O-N 3.39Å; V272-Q276 VanDerWaalsContact O-N 3.16Å
273V98.1Very high97.1Very high0 Ų048.6 Ų48.60%024%0.239CC..Hα-helixtrans-64.1-40.8177.6173.30000112.3I66 L181 I185 I189 I239 Y269 T270 Q271 Q276 L277I66-V273 HydrophobicContact CD1-CG1 3.39Å; I66-V273 HydrophobicContact CG2-CG1 4.16Å; L181-V273 HydrophobicContact CD1-CG1 4.3Å; I185-V273 HydrophobicContact CG1-CG1 4.02Å; I185-V273 HydrophobicContact CG1-CG2 4.4Å; I185-V273 HydrophobicContact CG2-CG1 4.5Å; I189-V273 HydrophobicContact CD1-CG2 3.53Å; I239-V273 HydrophobicContact CD1-CB 4.29Å; I239-V273 HydrophobicContact CD1-CG1 4.17Å; I239-V273 HydrophobicContact CD1-CG2 4.08Å; Y269-V273 VanDerWaalsContact O-CG2 3.25Å; Y269-V273 WeakPolarHBondContact O-CG2 3.43Å; Y269-V273 PolarHBondContact O-N 2.95Å; Y269-V273 VanDerWaalsContact O-N 3.13Å; T270-V273 PolarHBondContact O-N 2.7Å; Q271-V273 PolarHBondContact O-N 3.23Å; V273-Q276 PolarHBondContact O-N 3.29Å; V273-L277 VanDerWaalsContact O-CB 3.32Å; V273-L277 WeakPolarHBondContact O-CB 3.27Å; V273-L277 PolarHBondContact O-N 3.2Å
274Q98Very high97.2Very high42 Ų4246.9 Ų46.920%0.19623%0.227CC..Hα-helixtrans-62.6-46.3178-177.8173.3-75.600111.9R180 L181 T270 Q271 V272 Q276 L277 Y278R180-Q274 VanDerWaalsContact CA-OE1 3.3Å; L181-Q274 HydrophobicContact CD1-CB 3.73Å; L181-Q274 HydrophobicContact CD1-CG 4.17Å; L181-Q274 HydrophobicContact CG-CB 3.98Å; L181-Q274 HydrophobicContact CG-CG 3.97Å; T270-Q274 VanDerWaalsContact O-CB 3.29Å; T270-Q274 WeakPolarHBondContact O-CB 3.4Å; T270-Q274 PolarHBondContact O-N 3.47Å; Q271-Q274 WeakPolarHBondContact O-CB 3.48Å; Q271-Q274 PolarHBondContact O-N 3.14Å; V272-Q274 PolarHBondContact O-N 2.9Å; Q274-Q276 PolarHBondContact O-N 2.69Å; Q274-L277 PolarHBondContact O-N 2.99Å; Q274-Y278 HydrophobicContact CG-CD2 3.47Å; Q274-Y278 VanDerWaalsContact CG-CD2 3.47Å; Q274-Y278 HydrophobicContact CG-CE2 3.38Å; Q274-Y278 WeakPolarHBondContact O-CD2 3.45Å; Q274-Y278 PolarHBondContact O-N 2.78Å
275E97Very high97.1Very high98 Ų9845.7 Ų45.746%0.45822%0.219SC..Hα-helixtrans-60.2-45.9178.6-71.5170.5-169.200111.1Q271 V272 K279Q271-E275 WeakPolarHBondContact CG-OE1 3.49Å; Q271-E275 PolarHBondContact NE2-OE1 2.86Å; Q271-E275 WeakPolarHBondContact O-CG 3.3Å; Q271-E275 PolarHBondContact O-N 3.37Å; V272-E275 PolarHBondContact O-N 2.64Å; E275-K279 VanDerWaalsContact O-CB 3.29Å; E275-K279 WeakPolarHBondContact O-CB 3.26Å; E275-K279 PolarHBondContact O-N 3.41Å
276Q97.4Very high97.1Very high78 Ų7853.6 Ų53.636%0.36425%0.249SC..Hα-helixtrans-68.5-39.5178.3-62.9-49.8-53.200112.7I239 V272 V273 Q274 L280I239-Q276 HydrophobicContact CD1-CB 3.81Å; I239-Q276 HydrophobicContact CD1-CG 4.27Å; I239-Q276 HydrophobicContact CG1-CB 3.95Å; I239-Q276 HydrophobicContact CG1-CG 4.06Å; I239-Q276 HydrophobicContact CG2-CG 4.02Å; V272-Q276 WeakPolarHBondContact O-CG 3.25Å; V272-Q276 PolarHBondContact O-N 3.39Å; V272-Q276 VanDerWaalsContact O-N 3.16Å; V273-Q276 PolarHBondContact O-N 3.29Å; Q274-Q276 PolarHBondContact O-N 2.69Å; Q276-L280 PolarHBondContact O-N 2.62Å; Q276-L280 VanDerWaalsContact O-N 3.11Å
277L97.9Very high97.1Very high0 Ų057 Ų570%026%0.263CS..Hα-helixtrans-65.5-45.2178.5-17568.7000111.3I66 L181 P200 W202 V273 Q274 L280 K281I66-L277 HydrophobicContact CD1-CD2 4.3Å; I66-L277 HydrophobicContact CG1-CD2 4.09Å; I66-L277 HydrophobicContact CG2-CD1 4.49Å; L181-L277 HydrophobicContact CD1-CD2 4.1Å; L181-L277 HydrophobicContact CD2-CD2 4.33Å; P200-L277 HydrophobicContact CB-CD1 4.13Å; W202-L277 HydrophobicContact CE3-CD1 3.94Å; W202-L277 HydrophobicContact CE3-CG 3.93Å; W202-L277 VanDerWaalsContact CE3-O 3.24Å; W202-L277 HydrophobicContact CZ3-CD1 4.38Å; W202-L277 HydrophobicContact CZ3-CD2 4.43Å; W202-L277 HydrophobicContact CZ3-CG 3.89Å; V273-L277 VanDerWaalsContact O-CB 3.32Å; V273-L277 WeakPolarHBondContact O-CB 3.27Å; V273-L277 PolarHBondContact O-N 3.2Å; Q274-L277 PolarHBondContact O-N 2.99Å; L277-L280 VanDerWaalsContact O-CB 3.27Å; L277-L280 WeakPolarHBondContact O-CB 3.29Å; L277-L280 PolarHBondContact O-N 3.34Å; L277-L280 VanDerWaalsContact O-N 3.17Å; L277-K281 PolarHBondContact O-N 2.86Å
278Y97Very high97Very high20 Ų2056.7 Ų56.78%0.07826%0.258CS..Hα-helixtrans-76.4-23.7179.5-68.6-42.6000113.7E176 K177 I179 W202 Q274 L280 K281E176-Y278 HydrophobicContact CG-CE1 4.11Å; E176-Y278 VanDerWaalsContact O-CZ 3.24Å; E176-Y278 PolarHBondContact O-OH 3.36Å; E176-Y278 VanDerWaalsContact O-OH 3.12Å; K177-Y278 HydrophobicContact CB-CD2 4.42Å; K177-Y278 HydrophobicContact CB-CG 4.29Å; K177-Y278 WeakPolarHBondContact O-CE2 3.47Å; I179-Y278 WeakPolarHBondContact O-CE2 3.47Å; I179-Y278 PolarHBondContact O-OH 3.04Å; W202-Y278 AromaticContact CH2-CD1 3.84Å; W202-Y278 HydrophobicContact CH2-CD1 3.84Å; W202-Y278 AromaticContact CH2-CE1 3.96Å; W202-Y278 HydrophobicContact CH2-CE1 3.96Å; W202-Y278 AromaticContact CZ3-CD1 3.69Å; W202-Y278 HydrophobicContact CZ3-CD1 3.69Å; W202-Y278 AromaticContact CZ3-CE1 3.99Å; W202-Y278 HydrophobicContact CZ3-CE1 3.99Å; Q274-Y278 HydrophobicContact CG-CD2 3.47Å; Q274-Y278 VanDerWaalsContact CG-CD2 3.47Å; Q274-Y278 HydrophobicContact CG-CE2 3.38Å; Q274-Y278 WeakPolarHBondContact O-CD2 3.45Å; Q274-Y278 PolarHBondContact O-N 2.78Å; Y278-L280 VanDerWaalsContact C-N 3.28Å; Y278-K281 VanDerWaalsContact O-CB 3.26Å; Y278-K281 WeakPolarHBondContact O-CB 3.43Å; Y278-K281 PolarHBondContact O-N 2.89Å
279K96.5Very high96.7Very high145 Ų14563.3 Ų63.363%0.6329%0.288SS*.Hα-helixtrans-63.7-38.1164.7-174.5176-179176.10111.5E275 K281 E282E275-K279 VanDerWaalsContact O-CB 3.29Å; E275-K279 WeakPolarHBondContact O-CB 3.26Å; E275-K279 PolarHBondContact O-N 3.41Å; K279-K281 PolarHBondContact O-N 3.5Å; K279-E282 PolarHBondContact O-N 2.9Å
280L97.2Very high96.6Very high11 Ų1166.4 Ų66.46%0.05830%0.302CS..Hα-helixtrans-66.1-28.1177.9-159.666.6000112.6P200 W202 L234 Q276 L277 Y278 E283 A284P200-L280 HydrophobicContact CB-CD2 4.01Å; P200-L280 HydrophobicContact CG-CD2 4.3Å; P200-L280 WeakPolarHBondContact O-CD2 3.34Å; W202-L280 HydrophobicContact CB-CB 4.27Å; W202-L280 HydrophobicContact CB-CD2 3.84Å; W202-L280 HydrophobicContact CB-CG 3.87Å; L234-L280 HydrophobicContact CD2-CD1 3.43Å; L234-L280 VanDerWaalsContact CD2-CD1 3.43Å; L234-L280 HydrophobicContact CD2-CG 3.85Å; L234-L280 HydrophobicContact CG-CD1 3.72Å; L234-L280 HydrophobicContact CG-CG 4.15Å; Q276-L280 PolarHBondContact O-N 2.62Å; Q276-L280 VanDerWaalsContact O-N 3.11Å; L277-L280 VanDerWaalsContact O-CB 3.27Å; L277-L280 WeakPolarHBondContact O-CB 3.29Å; L277-L280 PolarHBondContact O-N 3.34Å; L277-L280 VanDerWaalsContact O-N 3.17Å; Y278-L280 VanDerWaalsContact C-N 3.28Å; L280-E283 PolarHBondContact O-N 3.27Å; L280-A284 VanDerWaalsContact O-CB 3.23Å; L280-A284 WeakPolarHBondContact O-CB 3.2Å; L280-A284 PolarHBondContact O-N 3.4Å
281K96.9Very high96.5Very high16 Ų1669.7 Ų69.77%0.0732%0.317CS..Hα-helixtrans-54.5-55.3173.5177.8177.41801510111.9R173 E176 W202 L277 Y278 K279 E283 A284 E285R173-K281 PolarHBondContact O-NZ 3.47Å; E176-K281 IonicContact OE2-NZ 2.95Å; E176-K281 PolarHBondContact OE2-NZ 3.16Å; W202-K281 HydrophobicContact CD2-CB 3.82Å; W202-K281 HydrophobicContact CD2-CG 4.36Å; W202-K281 HydrophobicContact CE3-CB 3.86Å; W202-K281 HydrophobicContact CH2-CB 3.67Å; W202-K281 HydrophobicContact CH2-CD 3.69Å; W202-K281 HydrophobicContact CH2-CG 3.82Å; W202-K281 HydrophobicContact CZ2-CB 3.59Å; W202-K281 HydrophobicContact CZ2-CD 3.54Å; W202-K281 HydrophobicContact CZ2-CG 3.38Å; W202-K281 HydrophobicContact CZ3-CB 3.78Å; W202-K281 HydrophobicContact CZ3-CG 4.44Å; L277-K281 PolarHBondContact O-N 2.86Å; Y278-K281 VanDerWaalsContact O-CB 3.26Å; Y278-K281 WeakPolarHBondContact O-CB 3.43Å; Y278-K281 PolarHBondContact O-N 2.89Å; K279-K281 PolarHBondContact O-N 3.5Å; K281-E283 VanDerWaalsContact C-N 3.29Å; K281-E283 PolarHBondContact O-N 2.85Å; K281-A284 PolarHBondContact O-N 2.88Å; K281-A284 VanDerWaalsContact O-N 3.15Å; K281-E285 WeakPolarHBondContact CE-OE1 3.22Å; K281-E285 WeakPolarHBondContact CE-OE2 3.42Å; K281-E285 HydrophobicContact CG-CG 4.34Å; K281-E285 IonicContact NZ-OE1 3.97Å; K281-E285 WeakPolarHBondContact O-CB 3.43Å; K281-E285 WeakPolarHBondContact O-CG 3.42Å; K281-E285 PolarHBondContact O-N 3.25Å
282E94.8Very high96.5Very high132 Ų13267.9 Ų67.962%0.61731%0.308SS*.Hα-helixtrans-60.2-42.6-175.5-63.1179175.900110.9K279 Y286K279-E282 PolarHBondContact O-N 2.9Å; E282-Y286 WeakPolarHBondContact O-CB 3.43Å; E282-Y286 PolarHBondContact O-N 3.36Å; E282-Y286 VanDerWaalsContact O-N 3.09Å
283E96.7Very high96.4Very high94 Ų9469.8 Ų69.844%0.43931%0.313SS..Hα-helixtrans-66.9-41.2176.8-171.1-177.5164.900112.3L234 L280 K281 K287L234-E283 HydrophobicContact CD2-CB 3.75Å; L234-E283 HydrophobicContact CD2-CG 3.66Å; L280-E283 PolarHBondContact O-N 3.27Å; K281-E283 VanDerWaalsContact C-N 3.29Å; K281-E283 PolarHBondContact O-N 2.85Å; E283-K287 HydrophobicContact CG-CD 4.17Å; E283-K287 WeakPolarHBondContact O-CB 3.24Å; E283-K287 WeakPolarHBondContact O-CG 3.25Å; E283-K287 PolarHBondContact O-N 2.94Å; E283-K287 VanDerWaalsContact O-N 3.08Å; E283-K287 WeakPolarHBondContact OE1-CE 3.4Å; E283-K287 IonicContact OE1-NZ 2.71Å
284A97.3Very high96.3Very high0 Ų074.1 Ų74.10%033%0.333CS..Hα-helixtrans-67.7-43-179.800000111.9W202 L234 L280 K281 K287 H288W202-A284 HydrophobicContact CB-CB 3.91Å; W202-A284 VanDerWaalsContact CD1-CB 3.45Å; W202-A284 HydrophobicContact CG-CB 3.89Å; L234-A284 HydrophobicContact CB-CB 3.97Å; L234-A284 HydrophobicContact CD2-CB 3.88Å; L280-A284 VanDerWaalsContact O-CB 3.23Å; L280-A284 WeakPolarHBondContact O-CB 3.2Å; L280-A284 PolarHBondContact O-N 3.4Å; K281-A284 PolarHBondContact O-N 2.88Å; K281-A284 VanDerWaalsContact O-N 3.15Å; A284-K287 PolarHBondContact O-N 3.34Å; A284-H288 VanDerWaalsContact O-CB 3.31Å; A284-H288 WeakPolarHBondContact O-CB 3.46Å; A284-H288 PolarHBondContact O-N 3.29Å
285E95.8Very high96.2Very high74 Ų7476.3 Ų76.335%0.34634%0.342SS..Hα-helixtrans-65.2-41.4177.6-72.3179.5162.500111.3K281 K287 H288 Q289K281-E285 WeakPolarHBondContact CE-OE1 3.22Å; K281-E285 WeakPolarHBondContact CE-OE2 3.42Å; K281-E285 HydrophobicContact CG-CG 4.34Å; K281-E285 IonicContact NZ-OE1 3.97Å; K281-E285 WeakPolarHBondContact O-CB 3.43Å; K281-E285 WeakPolarHBondContact O-CG 3.42Å; K281-E285 PolarHBondContact O-N 3.25Å; E285-K287 PolarHBondContact O-N 3.37Å; E285-H288 PolarHBondContact O-N 2.88Å; E285-H288 VanDerWaalsContact O-N 3.15Å; E285-Q289 PolarHBondContact O-N 3.44Å
286Y96.2Very high96.2Very high175 Ų17574.7 Ų74.769%0.68633%0.334SS*.Hα-helixtrans-60.5-43.1173.6177.8-102.2000112.4E282 H288E282-Y286 WeakPolarHBondContact O-CB 3.43Å; E282-Y286 PolarHBondContact O-N 3.36Å; E282-Y286 VanDerWaalsContact O-N 3.09Å; Y286-H288 PolarHBondContact O-N 2.63Å
287K95.8Very high96.1Very high72 Ų7274.5 Ų74.531%0.31333%0.331SS..THydrogen-bonded Turntrans-74.8-11.5177.1-70.4172.8-178.3-710114V45 T232 L234 E283 A284 E285V45-K287 HydrophobicContact CG1-CD 4.23Å; V45-K287 HydrophobicContact CG2-CD 4.24Å; T232-K287 HydrophobicContact CG2-CB 4.41Å; L234-K287 HydrophobicContact CD1-CD 4.06Å; L234-K287 HydrophobicContact CD2-CD 4.48Å; E283-K287 HydrophobicContact CG-CD 4.17Å; E283-K287 WeakPolarHBondContact O-CB 3.24Å; E283-K287 WeakPolarHBondContact O-CG 3.25Å; E283-K287 PolarHBondContact O-N 2.94Å; E283-K287 VanDerWaalsContact O-N 3.08Å; E283-K287 WeakPolarHBondContact OE1-CE 3.4Å; E283-K287 IonicContact OE1-NZ 2.71Å; A284-K287 PolarHBondContact O-N 3.34Å; E285-K287 PolarHBondContact O-N 3.37Å
288H96.9Very high95.9Very high33 Ų3380.7 Ų80.715%0.15336%0.359CS..THydrogen-bonded Turntrans-91.6-19.3178.8-171.168.1000112.8C204 Q230 T232 A284 E285 Y286C204-H288 HydrophobicContact CB-CB 3.83Å; C204-H288 PolarHBondContact O-CE1 3.3Å; Q230-H288 PolarHBondContact NE2-O 2.75Å; Q230-H288 PolarHBondContact O-CE1 3.06Å; Q230-H288 PolarHBondContact OE1-O 2.86Å; Q230-H288 VanDerWaalsContact OE1-O 3.08Å; T232-H288 WeakPolarHBondContact CB-ND1 3.41Å; T232-H288 PolarHBondContact OG1-ND1 2.99Å; A284-H288 VanDerWaalsContact O-CB 3.31Å; A284-H288 WeakPolarHBondContact O-CB 3.46Å; A284-H288 PolarHBondContact O-N 3.29Å; E285-H288 PolarHBondContact O-N 2.88Å; E285-H288 VanDerWaalsContact O-N 3.15Å; Y286-H288 PolarHBondContact O-N 2.63Å
289Q90Very high95.8Very high196 Ų19686.2 Ų86.292%0.91638%0.384SS*.  trans-690167.8-65.2173.516.700110.6E285E285-Q289 PolarHBondContact O-N 3.44Å

Retrieved 289 of 289 residues in 227.6 ms (Link to these results)

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