A0A077Z1Y8_TRITR Loading...

Uridine phosphorylase 2

AlphaFold DB , UniProt , Accession A0A077Z1Y8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 134 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
1M85.2Confident95.8Very high201 Ų20195.4 Ų95.499%0.9949%0.488SS*.  01300-172.6172-76.900106.8Y3M1-Y3 HydrophobicContact CG-CE1 3.96Å; M1-Y3 HydrophobicContact CG-CE2 4.21Å; M1-Y3 HydrophobicContact SD-CE1 3.65Å; M1-Y3 HydrophobicContact SD-CE2 4.24Å; M1-Y3 PolarHBondContact SD-OH 2.84Å
2Q92.6Very high96Very high189 Ų18991.4 Ų91.488%0.88347%0.471SS*.  trans-109.5137.9179.3-175.8177.22.100108.3
3Y95.9Very high96.2Very high98 Ų9892.5 Ų92.538%0.38447%0.471SS..  trans-118.3147.7177.7-61.7-68.9000110M1 R84M1-Y3 HydrophobicContact CG-CE1 3.96Å; M1-Y3 HydrophobicContact CG-CE2 4.21Å; M1-Y3 HydrophobicContact SD-CE1 3.65Å; M1-Y3 HydrophobicContact SD-CE2 4.24Å; M1-Y3 PolarHBondContact SD-OH 2.84Å; Y3-R84 HydrophobicContact CD1-CG 4.29Å; Y3-R84 VanDerWaalsContact CE2-NH1 3.33Å; Y3-R84 PolarHBondContact OH-NH1 2.87Å
4D96.7Very high96.3Very high91 Ų9190.6 Ų90.649%0.48746%0.459SS..  trans-72126176.1-176.7-24.2000110S6 A80 K83D4-S6 VanDerWaalsContact OD1-CB 3.3Å; D4-S6 WeakPolarHBondContact OD1-CB 3.37Å; D4-S6 PolarHBondContact OD1-N 2.84Å; D4-A80 WeakPolarHBondContact O-CA 3.3Å; D4-K83 HydrophobicContact CB-CD 3.99Å; D4-K83 IonicContact OD1-NZ 2.64Å; D4-K83 PolarHBondContact OD1-NZ 3.38Å; D4-K83 VanDerWaalsContact OD2-CE 3.31Å; D4-K83 WeakPolarHBondContact OD2-CE 3.31Å; D4-K83 IonicContact OD2-NZ 3.56Å; D4-K83 PolarHBondContact OD2-NZ 3.02Å
5S97.2Very high96.4Very high62 Ų6285.6 Ų85.643%0.43443%0.434SS..  trans-109.620.2-178.956.10000113.1A79S5-A79 VanDerWaalsContact O-CB 3.27Å; S5-A79 WeakPolarHBondContact O-CB 3.37Å
6S97.2Very high96.5Very high67 Ų6781.5 Ų81.547%0.46942%0.415SS..  trans-69.5147.9174.399.80000111.4D4 K83D4-S6 VanDerWaalsContact OD1-CB 3.3Å; D4-S6 WeakPolarHBondContact OD1-CB 3.37Å; D4-S6 PolarHBondContact OD1-N 2.84Å; S6-K83 PolarHBondContact OG-NZ 3.28Å
7L97.8Very high96.6Very high54 Ų5483.2 Ų83.228%0.28342%0.421SS..  trans-104.4168179.4-64.9167.2000111.1E9 A79 A89 I91L7-E9 PolarHBondContact O-N 3.01Å; L7-A79 HydrophobicContact CD2-CB 3.66Å; L7-A79 HydrophobicContact CG-CB 4.25Å; L7-A89 WeakPolarHBondContact CB-O 3.21Å; L7-A89 HydrophobicContact CD2-CB 3.87Å; L7-A89 WeakPolarHBondContact CD2-O 3.12Å; L7-I91 HydrophobicContact CD1-CB 4Å; L7-I91 HydrophobicContact CD1-CD1 3.93Å; L7-I91 HydrophobicContact CD1-CG1 3.73Å; L7-I91 HydrophobicContact CD2-CD1 4.46Å; L7-I91 HydrophobicContact CD2-CG1 4.26Å
8D98.1Very high96.7Very high35 Ų3578.7 Ų78.719%0.18740%0.398CS..  trans-75.6113.3-178.9-176.7-80000110.7D10 L11 V12 K88 A89D8-D10 VanDerWaalsContact C-N 3.28Å; D8-D10 PolarHBondContact O-N 3.02Å; D8-D10 PolarHBondContact OD1-N 3.16Å; D8-L11 HydrophobicContact CB-CB 3.98Å; D8-L11 PolarHBondContact O-N 3.08Å; D8-L11 WeakPolarHBondContact OD1-CB 3.01Å; D8-L11 PolarHBondContact OD1-N 3.27Å; D8-V12 PolarHBondContact O-N 3.37Å; D8-V12 VanDerWaalsContact O-N 3.1Å; D8-K88 HydrophobicContact CB-CB 4.18Å; D8-K88 HydrophobicContact CB-CG 4.35Å; D8-K88 IonicContact OD1-NZ 3.55Å; D8-K88 VanDerWaalsContact OD2-CD 3.31Å; D8-K88 WeakPolarHBondContact OD2-CD 3.5Å; D8-K88 VanDerWaalsContact OD2-CE 3.24Å; D8-K88 WeakPolarHBondContact OD2-CE 3.48Å; D8-K88 WeakPolarHBondContact OD2-CG 3.49Å; D8-K88 IonicContact OD2-NZ 3.61Å; D8-K88 PolarHBondContact OD2-NZ 3.08Å; D8-A89 PolarHBondContact N-O 2.9Å; D8-A89 VanDerWaalsContact N-O 3.1Å
9E97.5Very high96.8Very high142 Ų14275.3 Ų75.366%0.66438%0.382SS*.Hα-helixtrans-62-33.4-176.1-66.6-176.1-175.100113.2L7 V12 K13L7-E9 PolarHBondContact O-N 3.01Å; E9-V12 PolarHBondContact O-N 3.01Å; E9-K13 VanDerWaalsContact O-CG 3.3Å; E9-K13 WeakPolarHBondContact O-CG 3.48Å; E9-K13 PolarHBondContact O-N 3.44Å
10D97.8Very high96.8Very high84 Ų8478.6 Ų78.645%0.44939%0.393SS..Hα-helixtrans-74.6-32.2-179.5-68.2-25.5000111.7D8 K13 Q14D8-D10 VanDerWaalsContact C-N 3.28Å; D8-D10 PolarHBondContact O-N 3.02Å; D8-D10 PolarHBondContact OD1-N 3.16Å; D10-K13 PolarHBondContact O-N 3.32Å; D10-K13 IonicContact OD1-NZ 3.02Å; D10-K13 PolarHBondContact OD1-NZ 3.25Å; D10-Q14 WeakPolarHBondContact O-CG 3.29Å; D10-Q14 PolarHBondContact O-N 3.35Å; D10-Q14 PolarHBondContact O-NE2 2.94Å
11L97.9Very high96.8Very high26 Ų2680.2 Ų80.214%0.13640%0.403CS..Hα-helixtrans-67-40.8171.3-170.958.9000111.1D8 K13 Q14 L15 A90 L126D8-L11 HydrophobicContact CB-CB 3.98Å; D8-L11 PolarHBondContact O-N 3.08Å; D8-L11 WeakPolarHBondContact OD1-CB 3.01Å; D8-L11 PolarHBondContact OD1-N 3.27Å; L11-K13 PolarHBondContact O-N 3.03Å; L11-Q14 PolarHBondContact O-N 3.19Å; L11-L15 HydrophobicContact CG-CD1 4.47Å; L11-L15 WeakPolarHBondContact O-CG 3.49Å; L11-L15 PolarHBondContact O-N 3.11Å; L11-A90 HydrophobicContact CB-CB 4.34Å; L11-A90 HydrophobicContact CD2-CB 3.56Å; L11-A90 HydrophobicContact CG-CB 3.7Å; L11-L126 HydrophobicContact CD1-CD2 3.71Å
12V98Very high97.4Very high48 Ų4873.7 Ų73.729%0.29137%0.371SS..Hα-helixtrans-60.8-43.7172.5174.90000111D8 E9 Q14 L15 C16 T28D8-V12 PolarHBondContact O-N 3.37Å; D8-V12 VanDerWaalsContact O-N 3.1Å; E9-V12 PolarHBondContact O-N 3.01Å; V12-Q14 PolarHBondContact O-N 2.88Å; V12-L15 PolarHBondContact O-N 3.41Å; V12-C16 PolarHBondContact O-N 3.46Å; V12-C16 PolarHBondContact O-SG 3Å; V12-T28 HydrophobicContact CG1-CG2 3.83Å
13K98.1Very high97.6Very high106 Ų10672.2 Ų72.246%0.46137%0.369SS..Hα-helixtrans-61.4-41.4175.6-70.5168.3-157155.50112.2E9 D10 L11 C16 Q17E9-K13 VanDerWaalsContact O-CG 3.3Å; E9-K13 WeakPolarHBondContact O-CG 3.48Å; E9-K13 PolarHBondContact O-N 3.44Å; D10-K13 PolarHBondContact O-N 3.32Å; D10-K13 IonicContact OD1-NZ 3.02Å; D10-K13 PolarHBondContact OD1-NZ 3.25Å; L11-K13 PolarHBondContact O-N 3.03Å; K13-C16 PolarHBondContact O-N 3.33Å; K13-Q17 WeakPolarHBondContact O-CG 3.38Å; K13-Q17 PolarHBondContact O-N 3.34Å
14Q98.1Very high97.6Very high65 Ų6569 Ų6930%0.30436%0.358SS..Hα-helixtrans-61.6-45.8175.5-76168.864.200111.6D10 L11 V12 C16 Q17 I18 L126D10-Q14 WeakPolarHBondContact O-CG 3.29Å; D10-Q14 PolarHBondContact O-N 3.35Å; D10-Q14 PolarHBondContact O-NE2 2.94Å; L11-Q14 PolarHBondContact O-N 3.19Å; V12-Q14 PolarHBondContact O-N 2.88Å; Q14-C16 PolarHBondContact O-N 3.28Å; Q14-Q17 WeakPolarHBondContact O-CB 3.29Å; Q14-Q17 PolarHBondContact O-N 3.05Å; Q14-Q17 VanDerWaalsContact O-N 3.16Å; Q14-I18 WeakPolarHBondContact O-CG1 3.37Å; Q14-I18 PolarHBondContact O-N 3.09Å; Q14-L126 HydrophobicContact CB-CD1 3.83Å
15L98.4Very high97.6Very high16 Ų1672.2 Ų72.28%0.08438%0.375CS..Hα-helixtrans-61.1-42.8175.8-71.4162000111.8L11 V12 Q17 I18 C19 A90 V92 V122 L126L11-L15 HydrophobicContact CG-CD1 4.47Å; L11-L15 WeakPolarHBondContact O-CG 3.49Å; L11-L15 PolarHBondContact O-N 3.11Å; V12-L15 PolarHBondContact O-N 3.41Å; L15-Q17 VanDerWaalsContact C-N 3.27Å; L15-Q17 PolarHBondContact O-N 3.14Å; L15-I18 WeakPolarHBondContact O-CB 3.31Å; L15-I18 PolarHBondContact O-N 3.06Å; L15-I18 VanDerWaalsContact O-N 3.09Å; L15-C19 PolarHBondContact O-N 3.46Å; L15-C19 PolarHBondContact O-SG 3.41Å; L15-C19 VanDerWaalsContact O-SG 3.39Å; L15-A90 HydrophobicContact CD1-CB 3.49Å; L15-A90 VanDerWaalsContact CD1-CB 3.49Å; L15-V92 HydrophobicContact CD1-CG2 3.61Å; L15-V92 HydrophobicContact CD2-CG2 3.92Å; L15-V92 HydrophobicContact CG-CG2 4.31Å; L15-V122 HydrophobicContact CD2-CG1 3.88Å; L15-L126 HydrophobicContact CD2-CB 4.35Å; L15-L126 HydrophobicContact CD2-CD2 3.61Å; L15-L126 HydrophobicContact CG-CD2 3.92Å
16C98.3Very high97.6Very high20 Ų2073.3 Ų73.314%0.13537%0.371CS..Hα-helixtrans-60.2-37.6175-670000112.1V12 K13 Q14 C19 K20 Y26 T28V12-C16 PolarHBondContact O-N 3.46Å; V12-C16 PolarHBondContact O-SG 3Å; K13-C16 PolarHBondContact O-N 3.33Å; Q14-C16 PolarHBondContact O-N 3.28Å; C16-C19 PolarHBondContact O-N 2.96Å; C16-K20 WeakPolarHBondContact O-CG 3.46Å; C16-K20 PolarHBondContact O-N 3.06Å; C16-K20 VanDerWaalsContact O-N 3.08Å; C16-Y26 HydrophobicContact CB-CD2 4.42Å; C16-Y26 HydrophobicContact CB-CE2 3.72Å; C16-T28 WeakPolarHBondContact SG-CG2 3.47Å
17Q98Very high97.6Very high110 Ų11074.8 Ų74.851%0.51438%0.377SS..Hα-helixtrans-64.5-41.5174.4-70.7170.1-1.500111.4K13 Q14 L15 K20 L21K13-Q17 WeakPolarHBondContact O-CG 3.38Å; K13-Q17 PolarHBondContact O-N 3.34Å; Q14-Q17 WeakPolarHBondContact O-CB 3.29Å; Q14-Q17 PolarHBondContact O-N 3.05Å; Q14-Q17 VanDerWaalsContact O-N 3.16Å; L15-Q17 VanDerWaalsContact C-N 3.27Å; L15-Q17 PolarHBondContact O-N 3.14Å; Q17-K20 PolarHBondContact O-N 3.17Å; Q17-L21 VanDerWaalsContact O-CD1 3.31Å; Q17-L21 WeakPolarHBondContact O-CD1 3.37Å; Q17-L21 WeakPolarHBondContact O-CG 3.49Å; Q17-L21 PolarHBondContact O-N 3.48Å; Q17-L21 VanDerWaalsContact O-N 3.14Å
18I98.1Very high97.6Very high3 Ų376 Ų762%0.01539%0.387CS..Hα-helixtrans-58.1-50.2173.7-63-59.1000110.8Q14 L15 K20 L21 M22 V122 Q125 L126 R129Q14-I18 WeakPolarHBondContact O-CG1 3.37Å; Q14-I18 PolarHBondContact O-N 3.09Å; L15-I18 WeakPolarHBondContact O-CB 3.31Å; L15-I18 PolarHBondContact O-N 3.06Å; L15-I18 VanDerWaalsContact O-N 3.09Å; I18-K20 VanDerWaalsContact C-N 3.31Å; I18-K20 PolarHBondContact O-N 3.1Å; I18-L21 PolarHBondContact O-N 3.42Å; I18-M22 HydrophobicContact CG2-CG 4.23Å; I18-M22 HydrophobicContact CG2-SD 3.46Å; I18-M22 WeakPolarHBondContact CG2-SD 3.47Å; I18-M22 WeakPolarHBondContact O-CG 3.42Å; I18-M22 PolarHBondContact O-N 3.3Å; I18-V122 HydrophobicContact CB-CG1 4.26Å; I18-V122 HydrophobicContact CG2-CB 4.36Å; I18-V122 HydrophobicContact CG2-CG1 3.9Å; I18-Q125 HydrophobicContact CD1-CB 4.19Å; I18-Q125 HydrophobicContact CG2-CB 3.68Å; I18-Q125 HydrophobicContact CG2-CG 4.45Å; I18-L126 HydrophobicContact CG1-CB 4.09Å; I18-L126 HydrophobicContact CG1-CD1 4.38Å; I18-R129 HydrophobicContact CD1-CG 4.33Å
19C98.1Very high97.6Very high13 Ų1376.8 Ų76.89%0.08840%0.403CS..Hα-helixtrans-57.1-43.8179.2-61.90000112.1L15 C16 L21 M22 D23 I24 Y26L15-C19 PolarHBondContact O-N 3.46Å; L15-C19 PolarHBondContact O-SG 3.41Å; L15-C19 VanDerWaalsContact O-SG 3.39Å; C16-C19 PolarHBondContact O-N 2.96Å; C19-L21 VanDerWaalsContact C-N 3.29Å; C19-L21 PolarHBondContact O-N 3.12Å; C19-M22 PolarHBondContact O-N 3.49Å; C19-D23 PolarHBondContact O-N 3.45Å; C19-D23 VanDerWaalsContact O-N 3.11Å; C19-I24 HydrophobicContact CB-CB 4.34Å; C19-I24 PolarHBondContact O-N 3.1Å; C19-Y26 HydrophobicContact CB-CD1 3.37Å; C19-Y26 HydrophobicContact CB-CE1 4.02Å; C19-Y26 HydrophobicContact CB-CG 3.69Å
20K97.9Very high97.6Very high141 Ų14173.8 Ų73.861%0.61339%0.394SS*.Hα-helixtrans-58.2-39.3175.6-72.4-179.8-173-172.50113.2C16 Q17 I18 D23 Y26C16-K20 WeakPolarHBondContact O-CG 3.46Å; C16-K20 PolarHBondContact O-N 3.06Å; C16-K20 VanDerWaalsContact O-N 3.08Å; Q17-K20 PolarHBondContact O-N 3.17Å; I18-K20 VanDerWaalsContact C-N 3.31Å; I18-K20 PolarHBondContact O-N 3.1Å; K20-D23 PolarHBondContact O-N 3.06Å; K20-Y26 WeakPolarHBondContact CE-OH 3.42Å; K20-Y26 HydrophobicContact CG-CE1 3.7Å
21L96.9Very high97.6Very high113 Ų11371.8 Ų71.859%0.59239%0.385SS*.Hα-helixtrans-77.1-28.7-177.4-73.8158.4000112.8Q17 I18 C19 D23Q17-L21 VanDerWaalsContact O-CD1 3.31Å; Q17-L21 WeakPolarHBondContact O-CD1 3.37Å; Q17-L21 WeakPolarHBondContact O-CG 3.49Å; Q17-L21 PolarHBondContact O-N 3.48Å; Q17-L21 VanDerWaalsContact O-N 3.14Å; I18-L21 PolarHBondContact O-N 3.42Å; C19-L21 VanDerWaalsContact C-N 3.29Å; C19-L21 PolarHBondContact O-N 3.12Å; L21-D23 VanDerWaalsContact C-N 3.29Å
22M96.4Very high97.6Very high65 Ų6571.9 Ų71.932%0.3239%0.385SS..THydrogen-bonded Turntrans-85.7-0.7174.8-64.3175.973.800113I18 C19 I24 E121 V122 Q125I18-M22 HydrophobicContact CG2-CG 4.23Å; I18-M22 HydrophobicContact CG2-SD 3.46Å; I18-M22 WeakPolarHBondContact CG2-SD 3.47Å; I18-M22 WeakPolarHBondContact O-CG 3.42Å; I18-M22 PolarHBondContact O-N 3.3Å; C19-M22 PolarHBondContact O-N 3.49Å; M22-I24 HydrophobicContact CB-CD1 3.67Å; M22-I24 HydrophobicContact CB-CG1 3.83Å; M22-I24 HydrophobicContact CE-CD1 3.66Å; M22-I24 HydrophobicContact CG-CD1 4.42Å; M22-I24 PolarHBondContact O-N 3.25Å; M22-I24 HydrophobicContact SD-CD1 3.9Å; M22-E121 HydrophobicContact CE-CB 3.87Å; M22-V122 HydrophobicContact SD-CG2 4.19Å; M22-Q125 HydrophobicContact CE-CG 4.03Å; M22-Q125 HydrophobicContact CG-CG 4.45Å; M22-Q125 HydrophobicContact SD-CB 4.18Å; M22-Q125 HydrophobicContact SD-CG 3.62Å
23D97.2Very high97.6Very high157 Ų15772.1 Ų72.184%0.8438%0.383SS*.THydrogen-bonded Turntrans53.639-173.5-160.336.7000112.9C19 K20 L21C19-D23 PolarHBondContact O-N 3.45Å; C19-D23 VanDerWaalsContact O-N 3.11Å; K20-D23 PolarHBondContact O-N 3.06Å; L21-D23 VanDerWaalsContact C-N 3.29Å
24I96.1Very high97.5Very high31 Ų3167.1 Ų67.116%0.15936%0.362CS..  trans-92.8130.7177.3-69.6170.7000108.9C19 M22 Y26 M118 V122C19-I24 HydrophobicContact CB-CB 4.34Å; C19-I24 PolarHBondContact O-N 3.1Å; M22-I24 HydrophobicContact CB-CD1 3.67Å; M22-I24 HydrophobicContact CB-CG1 3.83Å; M22-I24 HydrophobicContact CE-CD1 3.66Å; M22-I24 HydrophobicContact CG-CD1 4.42Å; M22-I24 PolarHBondContact O-N 3.25Å; M22-I24 HydrophobicContact SD-CD1 3.9Å; I24-Y26 WeakPolarHBondContact O-CD1 3.43Å; I24-Y26 PolarHBondContact O-N 2.82Å; I24-M118 HydrophobicContact CD1-CG 4Å; I24-M118 HydrophobicContact CG2-CG 4.14Å; I24-M118 HydrophobicContact CG2-SD 3.5Å; I24-M118 WeakPolarHBondContact CG2-SD 3.3Å; I24-V122 HydrophobicContact CD1-CG2 3.69Å
25D96.2Very high97.4Very high158 Ų15870.4 Ų70.485%0.84538%0.381SS*.  trans-65.9131170.4-173.934.2000110.6
26Y97.6Very high97.4Very high86 Ų8672.3 Ų72.334%0.33739%0.391SS..  trans-149.8152.2-174.877-86.2000111.9C16 C19 K20 I24C16-Y26 HydrophobicContact CB-CD2 4.42Å; C16-Y26 HydrophobicContact CB-CE2 3.72Å; C19-Y26 HydrophobicContact CB-CD1 3.37Å; C19-Y26 HydrophobicContact CB-CE1 4.02Å; C19-Y26 HydrophobicContact CB-CG 3.69Å; K20-Y26 WeakPolarHBondContact CE-OH 3.42Å; K20-Y26 HydrophobicContact CG-CE1 3.7Å; I24-Y26 WeakPolarHBondContact O-CD1 3.43Å; I24-Y26 PolarHBondContact O-N 2.82Å
27T97.7Very high97.3Very high97 Ų9775.7 Ų75.760%0.59540%0.404SS*.  trans-134.7152.6169.5-172.40000110K69T27-K69 HydrophobicContact CG2-CB 4.19Å; T27-K69 HydrophobicContact CG2-CG 4.32Å
28T97.9Very high97.2Very high80 Ų8075 Ų7549%0.49140%0.397SS..  trans-105.7148.8167.356.50000109.6V12 C16V12-T28 HydrophobicContact CG1-CG2 3.83Å; C16-T28 WeakPolarHBondContact SG-CG2 3.47Å
29G97.3Very high97.2Very high52 Ų5278.5 Ų78.554%0.53641%0.414SS..  trans176.7-168.4177.500000112.1
30V97.7Very high97.1Very high79 Ų7982 Ų8248%0.47943%0.429SS..EExtended strand (participates in β ladder)trans-81.9139.9174.8-1800000109.2G67 V68 K69V30-G67 PolarHBondContact N-O 3.26Å; V30-V68 HydrophobicContact CB-CG2 4.22Å; V30-V68 HydrophobicContact CG1-CG2 4.1Å; V30-V68 CarbonylContact O-C 3.57Å; V30-V68 VanDerWaalsContact O-CA 3.28Å; V30-V68 WeakPolarHBondContact O-CA 3.36Å; V30-K69 PolarHBondContact O-N 3.24Å
31T98.2Very high97Very high41 Ų4175.9 Ų75.925%0.25240%0.402SS..EExtended strand (participates in β ladder)trans-101.6125166.5-61.60000108.2N70 Q72T31-N70 VanDerWaalsContact CA-OD1 3.3Å; T31-N70 WeakPolarHBondContact CA-OD1 3.36Å; T31-N70 VanDerWaalsContact CB-OD1 3.24Å; T31-N70 WeakPolarHBondContact CB-OD1 3.29Å; T31-N70 WeakPolarHBondContact CG2-OD1 3.3Å; T31-N70 PolarHBondContact OG1-OD1 3.09Å; T31-Q72 HydrophobicContact CG2-CG 3.47Å; T31-Q72 VanDerWaalsContact CG2-CG 3.47Å
32M97.7Very high97Very high29 Ų2970.7 Ų70.714%0.14338%0.376CS..EExtended strand (participates in β ladder)trans-84.3134.6169.1-179.3-164.6102.800109Y59 L63 V68 N70 M71 Q72M32-Y59 WeakPolarHBondContact CE-OH 3.31Å; M32-Y59 PolarHBondContact SD-OH 2.93Å; M32-L63 HydrophobicContact SD-CD1 3.48Å; M32-L63 WeakPolarHBondContact SD-CD1 3.49Å; M32-L63 HydrophobicContact SD-CD2 3.62Å; M32-L63 HydrophobicContact SD-CG 4.21Å; M32-V68 HydrophobicContact CB-CG1 3.88Å; M32-V68 HydrophobicContact CB-CG2 4.47Å; M32-N70 PolarHBondContact N-O 2.86Å; M32-N70 VanDerWaalsContact N-O 3.08Å; M32-M71 HydrophobicContact CB-CG 4.12Å; M32-M71 HydrophobicContact CE-CB 4.36Å; M32-M71 HydrophobicContact CE-CG 3.85Å; M32-M71 HydrophobicContact CE-SD 3.59Å; M32-M71 VanDerWaalsContact CE-SD 3.59Å; M32-M71 WeakPolarHBondContact O-CA 3.19Å; M32-M71 HydrophobicContact SD-CG 4.2Å; M32-M71 HydrophobicContact SD-SD 4.08Å; M32-Q72 PolarHBondContact O-N 2.92Å; M32-Q72 VanDerWaalsContact O-N 3.11Å
33E97.1Very high96.9Very high52 Ų5269.7 Ų69.724%0.24337%0.369CS..EExtended strand (participates in β ladder)trans-98.7135.7168.4-174.6171.6153.800110.9Q72 S75 S76E33-Q72 WeakPolarHBondContact CA-O 3.48Å; E33-S75 PolarHBondContact OE2-N 3.49Å; E33-S76 VanDerWaalsContact OE2-CA 3.29Å; E33-S76 WeakPolarHBondContact OE2-CA 3.35Å; E33-S76 WeakPolarHBondContact OE2-CB 3.42Å; E33-S76 PolarHBondContact OE2-N 3.49Å; E33-S76 PolarHBondContact OE2-OG 2.98Å
34S97Very high96.8Very high2 Ų265.1 Ų65.11%0.01434%0.344CS..  trans-115.5156.3167.360.30000111.3D36 E41 Q72 M73S34-D36 VanDerWaalsContact CB-O 3.32Å; S34-D36 WeakPolarHBondContact CB-O 3.37Å; S34-D36 PolarHBondContact OG-O 3.32Å; S34-E41 VanDerWaalsContact OG-CG 3.3Å; S34-E41 WeakPolarHBondContact OG-CG 3.36Å; S34-E41 PolarHBondContact OG-OE1 3.16Å; S34-Q72 PolarHBondContact N-O 2.87Å; S34-M73 WeakPolarHBondContact O-CA 3.2Å; S34-M73 WeakPolarHBondContact O-CB 3.48Å; S34-M73 WeakPolarHBondContact O-CG 3.21Å
35N96.8Very high96.7Very high133 Ų13368.1 Ų68.171%0.71136%0.361SS*.SBendtrans-94.2-9.5170.6-55.1-71.6000112.7E40 M73N35-E40 PolarHBondContact N-OE2 3.39Å; N35-E40 PolarHBondContact ND2-OE2 3.43Å; N35-M73 WeakPolarHBondContact O-CE 3.42Å
36D97Very high96.6Very high56 Ų5661.6 Ų61.630%0.29933%0.331SS..  trans-132.5146174.1177.249000110.7S34 Y38 E39 E40S34-D36 VanDerWaalsContact CB-O 3.32Å; S34-D36 WeakPolarHBondContact CB-O 3.37Å; S34-D36 PolarHBondContact OG-O 3.32Å; D36-Y38 WeakPolarHBondContact OD2-CA 2.85Å; D36-Y38 PolarHBondContact OD2-N 3.37Å; D36-E39 PolarHBondContact OD2-N 3.08Å; D36-E40 HydrophobicContact CB-CB 4.07Å; D36-E40 HydrophobicContact CB-CG 4Å
37F96.5Very high96.5Very high91 Ų9161.7 Ų61.740%0.39936%0.357SS..SBendtrans-81.1-25.1-178.6-175.8-101000112.6R43 M73F37-R43 WeakPolarHBondContact O-CD 3.4Å; F37-R43 WeakPolarHBondContact O-CG 3.5Å; F37-M73 HydrophobicContact CB-SD 3.95Å; F37-M73 HydrophobicContact CD2-SD 4.26Å
38Y96.4Very high96.4Very high95 Ų9563.1 Ų63.137%0.37336%0.361SS..SBendtrans-101.7-75.1-174.4-67.9-84000112.6D36 E41 G42 R43 Y51D36-Y38 WeakPolarHBondContact OD2-CA 2.85Å; D36-Y38 PolarHBondContact OD2-N 3.37Å; Y38-E41 PolarHBondContact O-N 2.97Å; Y38-G42 PolarHBondContact O-N 3.02Å; Y38-R43 HydrophobicContact CD1-CB 4.18Å; Y38-R43 WeakPolarHBondContact O-CB 3.38Å; Y38-R43 PolarHBondContact O-N 2.92Å; Y38-Y51 PolarHBondContact O-OH 2.99Å
39E96.9Very high96.4Very high78 Ų7862 Ų6236%0.36436%0.356SS..THydrogen-bonded Turntrans-66.5-43.8-172.2-67.8-170.3103.200112.1D36 E41 G42 Y51D36-E39 PolarHBondContact OD2-N 3.08Å; E39-E41 VanDerWaalsContact C-N 3.34Å; E39-E41 PolarHBondContact O-N 3.34Å; E39-G42 PolarHBondContact O-N 3.47Å; E39-G42 VanDerWaalsContact O-N 3.13Å; E39-Y51 VanDerWaalsContact CA-OH 3.28Å; E39-Y51 WeakPolarHBondContact CA-OH 3.32Å; E39-Y51 HydrophobicContact CB-CE1 4.41Å; E39-Y51 PolarHBondContact O-OH 3.46Å
40E96.8Very high96.3Very high85 Ų8563.8 Ų63.840%0.39737%0.365SS..THydrogen-bonded Turntrans-73.1-22.9-179.5-72-167.8-165.300113.8N35 D36 G42 Y59N35-E40 PolarHBondContact N-OE2 3.39Å; N35-E40 PolarHBondContact ND2-OE2 3.43Å; D36-E40 HydrophobicContact CB-CB 4.07Å; D36-E40 HydrophobicContact CB-CG 4Å; E40-G42 VanDerWaalsContact C-N 3.34Å; E40-Y59 PolarHBondContact O-OH 3.49Å
41E96.7Very high96.2Very high13 Ų1362.2 Ų62.26%0.06135%0.351CS..THydrogen-bonded Turntrans-92.36.3170.9-62.1-166.6-173.600112.9S34 Y38 E39 R43 M71 R99S34-E41 VanDerWaalsContact OG-CG 3.3Å; S34-E41 WeakPolarHBondContact OG-CG 3.36Å; S34-E41 PolarHBondContact OG-OE1 3.16Å; Y38-E41 PolarHBondContact O-N 2.97Å; E39-E41 VanDerWaalsContact C-N 3.34Å; E39-E41 PolarHBondContact O-N 3.34Å; E41-R43 HydrophobicContact CB-CG 4.36Å; E41-R43 PolarHBondContact O-N 3.37Å; E41-M71 HydrophobicContact CB-SD 4.38Å; E41-R99 PolarHBondContact O-NH1 2.83Å; E41-R99 PolarHBondContact O-NH2 2.97Å; E41-R99 IonicContact OE2-NH1 2.97Å
42G95.7Very high96.1Very high4 Ų467.1 Ų67.14%0.04137%0.369CS..THydrogen-bonded Turntrans62.740.9-179.800000112.6Y38 E39 E40 Y51 Q56 R99Y38-G42 PolarHBondContact O-N 3.02Å; E39-G42 PolarHBondContact O-N 3.47Å; E39-G42 VanDerWaalsContact O-N 3.13Å; E40-G42 VanDerWaalsContact C-N 3.34Å; G42-Y51 VanDerWaalsContact CA-OH 3.32Å; G42-Y51 WeakPolarHBondContact CA-OH 3.43Å; G42-Q56 WeakPolarHBondContact O-CG 3.39Å; G42-Q56 PolarHBondContact O-NE2 3.41Å; G42-R99 PolarHBondContact O-NH2 2.72Å
43R95.5Very high96Very high45 Ų4570.1 Ų70.117%0.1738%0.381CS..  trans-84.3150172.9-59.7-171.265.889.41.9111.2F37 Y38 E41 D45 Y51F37-R43 WeakPolarHBondContact O-CD 3.4Å; F37-R43 WeakPolarHBondContact O-CG 3.5Å; Y38-R43 HydrophobicContact CD1-CB 4.18Å; Y38-R43 WeakPolarHBondContact O-CB 3.38Å; Y38-R43 PolarHBondContact O-N 2.92Å; E41-R43 HydrophobicContact CB-CG 4.36Å; E41-R43 PolarHBondContact O-N 3.37Å; R43-D45 VanDerWaalsContact CB-OD1 3.32Å; R43-D45 WeakPolarHBondContact CB-OD1 3.49Å; R43-D45 IonicContact CZ-OD1 3.59Å; R43-D45 IonicContact CZ-OD2 2.91Å; R43-D45 IonicContact NE-OD1 2.82Å; R43-D45 PolarHBondContact NE-OD1 2.9Å; R43-D45 IonicContact NE-OD2 3.56Å; R43-D45 IonicContact NH2-OD1 2.86Å; R43-D45 PolarHBondContact NH2-OD1 2.98Å; R43-D45 IonicContact NH2-OD2 2.58Å; R43-D45 PolarHBondContact NH2-OD2 3.46Å; R43-Y51 PolarHBondContact N-OH 3.27Å; R43-Y51 VanDerWaalsContact N-OH 3.12Å; R43-Y51 WeakPolarHBondContact O-CE2 3.4Å; R43-Y51 PolarHBondContact O-OH 3.16Å
44L94.9Very high96Very high61 Ų6174.1 Ų74.132%0.31940%0.4SS..SBendtrans-103.2-1179.4-62174.4000113.5Y51 K53 Q56L44-Y51 HydrophobicContact CD2-CD2 3.71Å; L44-Y51 HydrophobicContact CD2-CE2 3.65Å; L44-K53 HydrophobicContact CD1-CB 4Å; L44-K53 HydrophobicContact CD1-CD 3.34Å; L44-K53 HydrophobicContact CD1-CG 4.28Å; L44-Q56 HydrophobicContact CD2-CB 4.35Å; L44-Q56 HydrophobicContact CD2-CG 4.5Å; L44-Q56 HydrophobicContact CG-CG 4.32Å
45D94Very high96.1Very high94 Ų9479.1 Ų79.150%0.50342%0.423SS..SBendtrans-108.117.3-173.464.3-17.8000113.3R43R43-D45 VanDerWaalsContact CB-OD1 3.32Å; R43-D45 WeakPolarHBondContact CB-OD1 3.49Å; R43-D45 IonicContact CZ-OD1 3.59Å; R43-D45 IonicContact CZ-OD2 2.91Å; R43-D45 IonicContact NE-OD1 2.82Å; R43-D45 PolarHBondContact NE-OD1 2.9Å; R43-D45 IonicContact NE-OD2 3.56Å; R43-D45 IonicContact NH2-OD1 2.86Å; R43-D45 PolarHBondContact NH2-OD1 2.98Å; R43-D45 IonicContact NH2-OD2 2.58Å; R43-D45 PolarHBondContact NH2-OD2 3.46Å
46G94.2Very high96Very high21 Ų2173 Ų7322%0.21639%0.39CS..SBendtrans-77.716717400000113.4L48G46-L48 PolarHBondContact O-N 3.44Å
47G95.7Very high96Very high87 Ų8776 Ų7690%0.89740%0.4SS*.SBendtrans-67.2-25.3172.800000113.4
48L95.6Very high96.1Very high128 Ų12875.4 Ų75.467%0.6741%0.407SS*.  trans-123.7143.4170.5-60.1176.1000108.4G46G46-L48 PolarHBondContact O-N 3.44Å
49C96.2Very high96.2Very high56 Ų5674.6 Ų74.638%0.37840%0.404SS..  trans-155.8109.7174.8-172.10000109.9Y51C49-Y51 PolarHBondContact SG-O 3.1Å; C49-Y51 VanDerWaalsContact SG-O 3.37Å
50A95.1Very high96.2Very high89 Ų8971.2 Ų71.274%0.73639%0.389SS*.  trans-96.910.4-176.100000114.3
51Y97Very high96.3Very high47 Ų4770.1 Ų70.118%0.18439%0.385CS..SBendtrans-138.7158.3-175.148.1-99.7000112Y38 E39 G42 R43 L44 C49 E55 Q56Y38-Y51 PolarHBondContact O-OH 2.99Å; E39-Y51 VanDerWaalsContact CA-OH 3.28Å; E39-Y51 WeakPolarHBondContact CA-OH 3.32Å; E39-Y51 HydrophobicContact CB-CE1 4.41Å; E39-Y51 PolarHBondContact O-OH 3.46Å; G42-Y51 VanDerWaalsContact CA-OH 3.32Å; G42-Y51 WeakPolarHBondContact CA-OH 3.43Å; R43-Y51 PolarHBondContact N-OH 3.27Å; R43-Y51 VanDerWaalsContact N-OH 3.12Å; R43-Y51 WeakPolarHBondContact O-CE2 3.4Å; R43-Y51 PolarHBondContact O-OH 3.16Å; L44-Y51 HydrophobicContact CD2-CD2 3.71Å; L44-Y51 HydrophobicContact CD2-CE2 3.65Å; C49-Y51 PolarHBondContact SG-O 3.1Å; C49-Y51 VanDerWaalsContact SG-O 3.37Å; Y51-E55 WeakPolarHBondContact CA-OE2 3.41Å; Y51-Q56 HydrophobicContact CD2-CB 4.44Å
52K96.4Very high96.4Very high143 Ų14375.8 Ų75.862%0.62241%0.41SS*.  trans-96.2170.5179.8-61.1-179.3-179.1176.80112.4E54 E55 Q56K52-E54 WeakPolarHBondContact CB-OE2 3.33Å; K52-E54 PolarHBondContact O-N 2.97Å; K52-E55 PolarHBondContact N-OE2 3.41Å; K52-E55 PolarHBondContact O-N 3.4Å; K52-E55 VanDerWaalsContact O-N 3.13Å; K52-Q56 WeakPolarHBondContact O-CB 3.37Å; K52-Q56 PolarHBondContact O-N 3.28Å
53K95.4Very high96.5Very high93 Ų9376.5 Ų76.540%0.40441%0.413SS..Hα-helixtrans-57.4-33.6178.3-171.967.1179.7169.40112.7L44 Q56 K57 E102L44-K53 HydrophobicContact CD1-CB 4Å; L44-K53 HydrophobicContact CD1-CD 3.34Å; L44-K53 HydrophobicContact CD1-CG 4.28Å; K53-Q56 WeakPolarHBondContact O-CB 3.45Å; K53-K57 WeakPolarHBondContact O-CB 3.35Å; K53-K57 PolarHBondContact O-N 3.15Å; K53-E102 IonicContact NZ-OE2 2.9Å; K53-E102 PolarHBondContact NZ-OE2 2.55Å
54E96.8Very high96.6Very high135 Ų13580.2 Ų80.263%0.63143%0.428SS*.Hα-helixtrans-69.8-40.8178.3-60.472.8-156.800112K52 K57 S58K52-E54 WeakPolarHBondContact CB-OE2 3.33Å; K52-E54 PolarHBondContact O-N 2.97Å; E54-K57 PolarHBondContact O-N 3.16Å; E54-S58 WeakPolarHBondContact O-CB 3.36Å; E54-S58 PolarHBondContact O-N 3.26Å
55E97.6Very high96.8Very high108 Ų10883.7 Ų83.751%0.50545%0.446SS..Hα-helixtrans-67.6-41.6175.8-65.7170.6106.700110.6Y51 K52 S58 Y59Y51-E55 WeakPolarHBondContact CA-OE2 3.41Å; K52-E55 PolarHBondContact N-OE2 3.41Å; K52-E55 PolarHBondContact O-N 3.4Å; K52-E55 VanDerWaalsContact O-N 3.13Å; E55-S58 PolarHBondContact O-N 2.95Å; E55-Y59 WeakPolarHBondContact O-CB 3.29Å; E55-Y59 PolarHBondContact O-N 3.21Å
56Q96.7Very high97Very high4 Ų485.1 Ų85.12%0.01945%0.45CS..Hα-helixtrans-56.3-50.4172.5-167.7-120.51.500112G42 L44 Y51 K52 K53 Y59 L60 E102G42-Q56 WeakPolarHBondContact O-CG 3.39Å; G42-Q56 PolarHBondContact O-NE2 3.41Å; L44-Q56 HydrophobicContact CD2-CB 4.35Å; L44-Q56 HydrophobicContact CD2-CG 4.5Å; L44-Q56 HydrophobicContact CG-CG 4.32Å; Y51-Q56 HydrophobicContact CD2-CB 4.44Å; K52-Q56 WeakPolarHBondContact O-CB 3.37Å; K52-Q56 PolarHBondContact O-N 3.28Å; K53-Q56 WeakPolarHBondContact O-CB 3.45Å; Q56-Y59 WeakPolarHBondContact O-CB 3.24Å; Q56-Y59 PolarHBondContact O-N 3.32Å; Q56-L60 WeakPolarHBondContact O-CG 3.31Å; Q56-L60 PolarHBondContact O-N 2.86Å; Q56-E102 PolarHBondContact NE2-OE1 3.46Å
57K96.7Very high97.1Very high119 Ų11985.4 Ų85.452%0.51745%0.453SS..Hα-helixtrans-62.3-45.2177.8-176.2177.1178.5178.60111.7K53 E54 Y59 L60 D61K53-K57 WeakPolarHBondContact O-CB 3.35Å; K53-K57 PolarHBondContact O-N 3.15Å; E54-K57 PolarHBondContact O-N 3.16Å; K57-Y59 VanDerWaalsContact C-N 3.26Å; K57-Y59 PolarHBondContact O-N 3.36Å; K57-L60 PolarHBondContact O-N 3.32Å; K57-D61 WeakPolarHBondContact O-CB 3.48Å; K57-D61 PolarHBondContact O-N 2.98Å
58S97.9Very high97.3Very high78 Ų7882 Ų8255%0.54542%0.415SS..Hα-helixtrans-60.3-37.7177.5-177.60000112.3E54 E55 K62E54-S58 WeakPolarHBondContact O-CB 3.36Å; E54-S58 PolarHBondContact O-N 3.26Å; E55-S58 PolarHBondContact O-N 2.95Å; S58-K62 WeakPolarHBondContact O-CB 3.47Å; S58-K62 PolarHBondContact O-N 3.3Å
59Y97.8Very high97.4Very high78 Ų7879.7 Ų79.731%0.30640%0.399SS..Hα-helixtrans-63.9-50.7174173.2-105.6000112M32 E40 E55 Q56 K57 D61 K62 L63M32-Y59 WeakPolarHBondContact CE-OH 3.31Å; M32-Y59 PolarHBondContact SD-OH 2.93Å; E40-Y59 PolarHBondContact O-OH 3.49Å; E55-Y59 WeakPolarHBondContact O-CB 3.29Å; E55-Y59 PolarHBondContact O-N 3.21Å; Q56-Y59 WeakPolarHBondContact O-CB 3.24Å; Q56-Y59 PolarHBondContact O-N 3.32Å; K57-Y59 VanDerWaalsContact C-N 3.26Å; K57-Y59 PolarHBondContact O-N 3.36Å; Y59-D61 PolarHBondContact O-N 3.13Å; Y59-K62 WeakPolarHBondContact O-CB 3.3Å; Y59-K62 PolarHBondContact O-N 2.98Å; Y59-L63 HydrophobicContact CD1-CD1 4.15Å; Y59-L63 HydrophobicContact CE1-CD1 3.55Å; Y59-L63 HydrophobicContact CE1-CG 4.39Å; Y59-L63 HydrophobicContact CE2-CD1 4.3Å; Y59-L63 HydrophobicContact CE2-CD2 4.47Å; Y59-L63 HydrophobicContact CE2-CG 4.39Å; Y59-L63 WeakPolarHBondContact O-CG 3.38Å; Y59-L63 PolarHBondContact O-N 3.42Å
60L97.9Very high97.4Very high7 Ų778.5 Ų78.54%0.03739%0.389CS..Hα-helixtrans-62.2-42178.2-65176000112.2Q56 K57 K62 L63 Y64 M71 R99 F100Q56-L60 WeakPolarHBondContact O-CG 3.31Å; Q56-L60 PolarHBondContact O-N 2.86Å; K57-L60 PolarHBondContact O-N 3.32Å; L60-K62 VanDerWaalsContact C-N 3.3Å; L60-K62 PolarHBondContact O-N 3.49Å; L60-L63 PolarHBondContact O-N 2.77Å; L60-Y64 WeakPolarHBondContact O-CB 3.39Å; L60-Y64 PolarHBondContact O-N 2.91Å; L60-M71 HydrophobicContact CD2-CE 3.82Å; L60-M71 HydrophobicContact CD2-SD 4.49Å; L60-R99 HydrophobicContact CD1-CB 3.93Å; L60-R99 WeakPolarHBondContact CD1-O 3.38Å; L60-R99 HydrophobicContact CD2-CB 4.08Å; L60-F100 HydrophobicContact CB-CD1 4.46Å; L60-F100 HydrophobicContact CB-CE1 3.7Å; L60-F100 HydrophobicContact CB-CE2 4.32Å; L60-F100 HydrophobicContact CB-CZ 3.62Å
61D98.3Very high97.6Very high62 Ų6276 Ų7633%0.33236%0.363SS..Hα-helixtrans-59.6-41.9175.3-77.2-29.5000111.1K57 Y59 Y64 N65 F100K57-D61 WeakPolarHBondContact O-CB 3.48Å; K57-D61 PolarHBondContact O-N 2.98Å; Y59-D61 PolarHBondContact O-N 3.13Å; D61-Y64 PolarHBondContact O-N 3.1Å; D61-N65 VanDerWaalsContact O-CB 3.3Å; D61-N65 WeakPolarHBondContact O-CB 3.46Å; D61-N65 PolarHBondContact O-N 3.31Å; D61-N65 PolarHBondContact O-ND2 3.1Å; D61-F100 WeakPolarHBondContact OD1-CE1 3.5Å
62K98.3Very high97.6Very high132 Ų13275.9 Ų75.957%0.57436%0.364SS*.Hα-helixtrans-62.5-45.4176.8-176.8-177.8176.1-174.80111.7S58 Y59 L60 N65 Q66S58-K62 WeakPolarHBondContact O-CB 3.47Å; S58-K62 PolarHBondContact O-N 3.3Å; Y59-K62 WeakPolarHBondContact O-CB 3.3Å; Y59-K62 PolarHBondContact O-N 2.98Å; L60-K62 VanDerWaalsContact C-N 3.3Å; L60-K62 PolarHBondContact O-N 3.49Å; K62-N65 PolarHBondContact O-N 3.2Å; K62-Q66 WeakPolarHBondContact O-CG 3.22Å; K62-Q66 PolarHBondContact O-N 3.45Å; K62-Q66 VanDerWaalsContact O-N 3.16Å
63L98.2Very high97.6Very high19 Ų1973.5 Ų73.510%0.09936%0.356CS..Hα-helixtrans-61.6-48.7176.8-67.4178.8000111.2M32 Y59 L60 N65 Q66 G67 V68 M71M32-L63 HydrophobicContact SD-CD1 3.48Å; M32-L63 WeakPolarHBondContact SD-CD1 3.49Å; M32-L63 HydrophobicContact SD-CD2 3.62Å; M32-L63 HydrophobicContact SD-CG 4.21Å; Y59-L63 HydrophobicContact CD1-CD1 4.15Å; Y59-L63 HydrophobicContact CE1-CD1 3.55Å; Y59-L63 HydrophobicContact CE1-CG 4.39Å; Y59-L63 HydrophobicContact CE2-CD1 4.3Å; Y59-L63 HydrophobicContact CE2-CD2 4.47Å; Y59-L63 HydrophobicContact CE2-CG 4.39Å; Y59-L63 WeakPolarHBondContact O-CG 3.38Å; Y59-L63 PolarHBondContact O-N 3.42Å; L60-L63 PolarHBondContact O-N 2.77Å; L63-N65 VanDerWaalsContact C-N 3.31Å; L63-N65 PolarHBondContact O-N 3.35Å; L63-Q66 CarbonylContact O-C 3.59Å; L63-Q66 WeakPolarHBondContact O-CA 2.79Å; L63-Q66 WeakPolarHBondContact O-CB 3.43Å; L63-Q66 PolarHBondContact O-N 3.41Å; L63-G67 PolarHBondContact O-N 3.43Å; L63-V68 HydrophobicContact CB-CB 3.96Å; L63-V68 HydrophobicContact CB-CG1 4.34Å; L63-V68 HydrophobicContact CB-CG2 4.13Å; L63-V68 HydrophobicContact CD2-CG2 4.24Å; L63-V68 VanDerWaalsContact O-CB 3.28Å; L63-V68 WeakPolarHBondContact O-CB 3.47Å; L63-V68 WeakPolarHBondContact O-CG2 3.47Å; L63-V68 PolarHBondContact O-N 3.41Å; L63-M71 HydrophobicContact CD1-SD 3.79Å
64Y98Very high97.5Very high124 Ų12470.8 Ų70.849%0.48636%0.355SS..Hα-helixtrans-58.7-43.7179.7-174.5-97.1000111.9L60 D61 Q66 G67 K69 F100L60-Y64 WeakPolarHBondContact O-CB 3.39Å; L60-Y64 PolarHBondContact O-N 2.91Å; D61-Y64 PolarHBondContact O-N 3.1Å; Y64-Q66 PolarHBondContact O-N 3.23Å; Y64-G67 PolarHBondContact O-N 2.92Å; Y64-K69 HydrophobicContact CE2-CD 4.45Å; Y64-K69 VanDerWaalsContact CE2-NZ 3.28Å; Y64-K69 PolarHBondContact OH-NZ 2.8Å; Y64-F100 HydrophobicContact CD2-CE2 4.44Å
65N98.2Very high97.4Very high133 Ų13364.7 Ų64.771%0.71133%0.327SS*.Hα-helixtrans-66-22.7176.5-72.1-31.4000113.5D61 K62 L63 G67D61-N65 VanDerWaalsContact O-CB 3.3Å; D61-N65 WeakPolarHBondContact O-CB 3.46Å; D61-N65 PolarHBondContact O-N 3.31Å; D61-N65 PolarHBondContact O-ND2 3.1Å; K62-N65 PolarHBondContact O-N 3.2Å; L63-N65 VanDerWaalsContact C-N 3.31Å; L63-N65 PolarHBondContact O-N 3.35Å; N65-G67 VanDerWaalsContact C-N 3.27Å
66Q98Very high97.3Very high124 Ų12462 Ų6258%0.57932%0.32SS*.THydrogen-bonded Turntrans-85.84172.8-70.6179.6-11.600113.2K62 L63 Y64K62-Q66 WeakPolarHBondContact O-CG 3.22Å; K62-Q66 PolarHBondContact O-N 3.45Å; K62-Q66 VanDerWaalsContact O-N 3.16Å; L63-Q66 CarbonylContact O-C 3.59Å; L63-Q66 WeakPolarHBondContact O-CA 2.79Å; L63-Q66 WeakPolarHBondContact O-CB 3.43Å; L63-Q66 PolarHBondContact O-N 3.41Å; Y64-Q66 PolarHBondContact O-N 3.23Å
67G97.8Very high97.3Very high27 Ų2766 Ų6628%0.27835%0.347SS..THydrogen-bonded Turntrans86.510.3178.900000114.2V30 L63 Y64 N65 K69V30-G67 PolarHBondContact N-O 3.26Å; L63-G67 PolarHBondContact O-N 3.43Å; Y64-G67 PolarHBondContact O-N 2.92Å; N65-G67 VanDerWaalsContact C-N 3.27Å; G67-K69 PolarHBondContact O-N 3.07Å
68V98.3Very high97.3Very high16 Ų1664.8 Ų64.810%0.09734%0.342CS..EExtended strand (participates in β ladder)trans-68.6130.1172.8-178.60000109.4V30 M32 L63 N70V30-V68 HydrophobicContact CB-CG2 4.22Å; V30-V68 HydrophobicContact CG1-CG2 4.1Å; V30-V68 CarbonylContact O-C 3.57Å; V30-V68 VanDerWaalsContact O-CA 3.28Å; V30-V68 WeakPolarHBondContact O-CA 3.36Å; M32-V68 HydrophobicContact CB-CG1 3.88Å; M32-V68 HydrophobicContact CB-CG2 4.47Å; L63-V68 HydrophobicContact CB-CB 3.96Å; L63-V68 HydrophobicContact CB-CG1 4.34Å; L63-V68 HydrophobicContact CB-CG2 4.13Å; L63-V68 HydrophobicContact CD2-CG2 4.24Å; L63-V68 VanDerWaalsContact O-CB 3.28Å; L63-V68 WeakPolarHBondContact O-CB 3.47Å; L63-V68 WeakPolarHBondContact O-CG2 3.47Å; L63-V68 PolarHBondContact O-N 3.41Å; V68-N70 WeakPolarHBondContact CG1-O 3.4Å
69K97.9Very high97.3Very high79 Ų7961.2 Ų61.234%0.34332%0.317SS..EExtended strand (participates in β ladder)trans-115.4-17.2179.7-62.9-59179.2-171.60113.7T27 V30 Y64 G67T27-K69 HydrophobicContact CG2-CB 4.19Å; T27-K69 HydrophobicContact CG2-CG 4.32Å; V30-K69 PolarHBondContact O-N 3.24Å; Y64-K69 HydrophobicContact CE2-CD 4.45Å; Y64-K69 VanDerWaalsContact CE2-NZ 3.28Å; Y64-K69 PolarHBondContact OH-NZ 2.8Å; G67-K69 PolarHBondContact O-N 3.07Å
70N97.9Very high97.3Very high31 Ų3158.1 Ų58.117%0.16631%0.308CS..EExtended strand (participates in β ladder)trans-155169.4173.563.5-10.1000111.9T31 M32 V68 N93T31-N70 VanDerWaalsContact CA-OD1 3.3Å; T31-N70 WeakPolarHBondContact CA-OD1 3.36Å; T31-N70 VanDerWaalsContact CB-OD1 3.24Å; T31-N70 WeakPolarHBondContact CB-OD1 3.29Å; T31-N70 WeakPolarHBondContact CG2-OD1 3.3Å; T31-N70 PolarHBondContact OG1-OD1 3.09Å; M32-N70 PolarHBondContact N-O 2.86Å; M32-N70 VanDerWaalsContact N-O 3.08Å; V68-N70 WeakPolarHBondContact CG1-O 3.4Å; N70-N93 WeakPolarHBondContact ND2-CB 3.46Å; N70-N93 PolarHBondContact ND2-ND2 3.49Å
71M97.9Very high97.3Very high37 Ų3763.6 Ų63.618%0.18233%0.332CS..EExtended strand (participates in β ladder)trans-128.1144.2175-62.6179.2-74.700109M32 E41 L60 L63 R99M32-M71 HydrophobicContact CB-CG 4.12Å; M32-M71 HydrophobicContact CE-CB 4.36Å; M32-M71 HydrophobicContact CE-CG 3.85Å; M32-M71 HydrophobicContact CE-SD 3.59Å; M32-M71 VanDerWaalsContact CE-SD 3.59Å; M32-M71 WeakPolarHBondContact O-CA 3.19Å; M32-M71 HydrophobicContact SD-CG 4.2Å; M32-M71 HydrophobicContact SD-SD 4.08Å; E41-M71 HydrophobicContact CB-SD 4.38Å; L60-M71 HydrophobicContact CD2-CE 3.82Å; L60-M71 HydrophobicContact CD2-SD 4.49Å; L63-M71 HydrophobicContact CD1-SD 3.79Å; M71-R99 HydrophobicContact CE-CB 4.24Å; M71-R99 HydrophobicContact CE-CG 3.6Å; M71-R99 VanDerWaalsContact CE-NH1 3.29Å
72Q96.7Very high97.3Very high44 Ų4461.5 Ų61.521%0.20632%0.321CS..EExtended strand (participates in β ladder)trans-163.6-174.4175.255.696-84.800110T31 M32 E33 S34 S75T31-Q72 HydrophobicContact CG2-CG 3.47Å; T31-Q72 VanDerWaalsContact CG2-CG 3.47Å; M32-Q72 PolarHBondContact O-N 2.92Å; M32-Q72 VanDerWaalsContact O-N 3.11Å; E33-Q72 WeakPolarHBondContact CA-O 3.48Å; S34-Q72 PolarHBondContact N-O 2.87Å; Q72-S75 VanDerWaalsContact CD-CB 3.44Å; Q72-S75 PolarHBondContact OE1-OG 3.29Å
73M97.3Very high97.2Very high94 Ų9458.7 Ų58.746%0.46331%0.309SS..SBendtrans-127.434.6-166.3-56.6176.16900115.2S34 N35 F37S34-M73 WeakPolarHBondContact O-CA 3.2Å; S34-M73 WeakPolarHBondContact O-CB 3.48Å; S34-M73 WeakPolarHBondContact O-CG 3.21Å; N35-M73 WeakPolarHBondContact O-CE 3.42Å; F37-M73 HydrophobicContact CB-SD 3.95Å; F37-M73 HydrophobicContact CD2-SD 4.26Å
74G93.3Very high97.1Very high36 Ų3664.9 Ų64.937%0.37133%0.331SS..SBendtrans-170.220.4179.800000117.4F78G74-F78 WeakPolarHBondContact O-CB 3.34Å
75S95.4Very high97.1Very high7 Ų764.2 Ų64.25%0.04934%0.336CS..Hα-helixtrans-87.6-47.7-172.348.10000113.7E33 Q72 F78 A79E33-S75 PolarHBondContact OE2-N 3.49Å; Q72-S75 VanDerWaalsContact CD-CB 3.44Å; Q72-S75 PolarHBondContact OE1-OG 3.29Å; S75-F78 PolarHBondContact O-N 2.95Å; S75-A79 VanDerWaalsContact O-CB 3.29Å; S75-A79 WeakPolarHBondContact O-CB 3.34Å; S75-A79 PolarHBondContact O-N 2.92Å
76S95.5Very high97.1Very high50 Ų5065.3 Ų65.335%0.3534%0.342SS..Hα-helixtrans-64.3-43.8-179.274.60000112.3E33 A79 A80E33-S76 VanDerWaalsContact OE2-CA 3.29Å; E33-S76 WeakPolarHBondContact OE2-CA 3.35Å; E33-S76 WeakPolarHBondContact OE2-CB 3.42Å; E33-S76 PolarHBondContact OE2-N 3.49Å; E33-S76 PolarHBondContact OE2-OG 2.98Å; S76-A79 PolarHBondContact O-N 3.44Å; S76-A80 VanDerWaalsContact O-CB 3.22Å; S76-A80 WeakPolarHBondContact O-CB 3.42Å; S76-A80 PolarHBondContact O-N 3.02Å
77C95.4Very high97Very high88 Ų8861.7 Ų61.760%0.59533%0.332SS*.Hα-helixtrans-64.4-45.7176.6-175.10000110.9F81C77-F81 WeakPolarHBondContact O-CB 3.22Å; C77-F81 PolarHBondContact O-N 3.48Å
78F97.5Very high97Very high94 Ų9467.2 Ų67.241%0.41235%0.349SS..Hα-helixtrans-58.2-52175.5171.3-100.1000111.8G74 S75 A80 F81 C82 A89 I91G74-F78 WeakPolarHBondContact O-CB 3.34Å; S75-F78 PolarHBondContact O-N 2.95Å; F78-A80 PolarHBondContact O-N 3.45Å; F78-F81 PolarHBondContact O-N 2.94Å; F78-C82 PolarHBondContact O-N 3.41Å; F78-C82 PolarHBondContact O-SG 3.48Å; F78-A89 HydrophobicContact CE1-CB 3.87Å; F78-A89 HydrophobicContact CZ-CB 4.17Å; F78-I91 HydrophobicContact CD1-CD1 4.03Å; F78-I91 HydrophobicContact CD1-CG1 3.91Å; F78-I91 HydrophobicContact CE1-CG1 4.05Å
79A97.9Very high97Very high3 Ų366.9 Ų66.93%0.02535%0.348CS..Hα-helixtrans-61.5-47.3-178.500000111.9S5 L7 S75 S76 F81 C82 K83S5-A79 VanDerWaalsContact O-CB 3.27Å; S5-A79 WeakPolarHBondContact O-CB 3.37Å; L7-A79 HydrophobicContact CD2-CB 3.66Å; L7-A79 HydrophobicContact CG-CB 4.25Å; S75-A79 VanDerWaalsContact O-CB 3.29Å; S75-A79 WeakPolarHBondContact O-CB 3.34Å; S75-A79 PolarHBondContact O-N 2.92Å; S76-A79 PolarHBondContact O-N 3.44Å; A79-F81 VanDerWaalsContact C-N 3.33Å; A79-F81 PolarHBondContact O-N 3.44Å; A79-C82 PolarHBondContact O-N 3.34Å; A79-K83 VanDerWaalsContact O-CB 3.3Å; A79-K83 WeakPolarHBondContact O-CB 3.24Å; A79-K83 PolarHBondContact O-N 3.37Å
80A97.7Very high97Very high13 Ų1364.2 Ų64.211%0.10734%0.34CS..Hα-helixtrans-63.2-39.517800000112.3D4 S76 F78 R84D4-A80 WeakPolarHBondContact O-CA 3.3Å; S76-A80 VanDerWaalsContact O-CB 3.22Å; S76-A80 WeakPolarHBondContact O-CB 3.42Å; S76-A80 PolarHBondContact O-N 3.02Å; F78-A80 PolarHBondContact O-N 3.45Å; A80-R84 WeakPolarHBondContact O-CB 3.28Å; A80-R84 WeakPolarHBondContact O-CD 3.3Å; A80-R84 WeakPolarHBondContact O-CG 3.35Å; A80-R84 PolarHBondContact O-N 2.91Å; A80-R84 VanDerWaalsContact O-N 3.09Å
81F97.5Very high97Very high123 Ų12364.7 Ų64.754%0.53934%0.343SS..Hα-helixtrans-64.3-51.2177-175-95.4000111.6C77 F78 A79 K83 R84 L85C77-F81 WeakPolarHBondContact O-CB 3.22Å; C77-F81 PolarHBondContact O-N 3.48Å; F78-F81 PolarHBondContact O-N 2.94Å; A79-F81 VanDerWaalsContact C-N 3.33Å; A79-F81 PolarHBondContact O-N 3.44Å; F81-K83 VanDerWaalsContact C-N 3.33Å; F81-K83 PolarHBondContact O-N 3.25Å; F81-R84 PolarHBondContact O-N 3.17Å; F81-L85 HydrophobicContact CD1-CD1 3.83Å; F81-L85 HydrophobicContact CE1-CD1 3.28Å; F81-L85 HydrophobicContact CE1-CG 4.29Å; F81-L85 HydrophobicContact CZ-CD1 3.76Å; F81-L85 PolarHBondContact O-N 3.26Å
82C98.2Very high97Very high17 Ų1765.1 Ų65.112%0.11535%0.347CS..Hα-helixtrans-59.4-43.5177.7-71.90000112F78 A79 R84 L85 N86 A87 A89F78-C82 PolarHBondContact O-N 3.41Å; F78-C82 PolarHBondContact O-SG 3.48Å; A79-C82 PolarHBondContact O-N 3.34Å; C82-R84 VanDerWaalsContact C-N 3.33Å; C82-R84 PolarHBondContact O-N 3.09Å; C82-L85 CarbonylContact O-C 3.52Å; C82-L85 WeakPolarHBondContact O-CA 3.27Å; C82-L85 PolarHBondContact O-N 2.58Å; C82-N86 PolarHBondContact O-N 2.86Å; C82-A87 HydrophobicContact CB-CB 4.33Å; C82-A87 PolarHBondContact O-N 3.49Å; C82-A89 HydrophobicContact CB-CB 3.59Å
83K97Very high97.1Very high73 Ų7366 Ų6632%0.31735%0.353SS..Hα-helixtrans-61.6-41.3179-170.1162.4-170.6165.10112.2D4 S6 A79 F81 L85 N86D4-K83 HydrophobicContact CB-CD 3.99Å; D4-K83 IonicContact OD1-NZ 2.64Å; D4-K83 PolarHBondContact OD1-NZ 3.38Å; D4-K83 VanDerWaalsContact OD2-CE 3.31Å; D4-K83 WeakPolarHBondContact OD2-CE 3.31Å; D4-K83 IonicContact OD2-NZ 3.56Å; D4-K83 PolarHBondContact OD2-NZ 3.02Å; S6-K83 PolarHBondContact OG-NZ 3.28Å; A79-K83 VanDerWaalsContact O-CB 3.3Å; A79-K83 WeakPolarHBondContact O-CB 3.24Å; A79-K83 PolarHBondContact O-N 3.37Å; F81-K83 VanDerWaalsContact C-N 3.33Å; F81-K83 PolarHBondContact O-N 3.25Å; K83-L85 PolarHBondContact O-N 3.4Å; K83-N86 PolarHBondContact O-N 3.12Å
84R96.9Very high97.1Very high150 Ų15063.4 Ų63.457%0.56634%0.343SS*.Hα-helixtrans-65.2-26.4175.2-72.7171.264.8-174.1-0.9113.6Y3 A80 F81 C82 N86Y3-R84 HydrophobicContact CD1-CG 4.29Å; Y3-R84 VanDerWaalsContact CE2-NH1 3.33Å; Y3-R84 PolarHBondContact OH-NH1 2.87Å; A80-R84 WeakPolarHBondContact O-CB 3.28Å; A80-R84 WeakPolarHBondContact O-CD 3.3Å; A80-R84 WeakPolarHBondContact O-CG 3.35Å; A80-R84 PolarHBondContact O-N 2.91Å; A80-R84 VanDerWaalsContact O-N 3.09Å; F81-R84 PolarHBondContact O-N 3.17Å; C82-R84 VanDerWaalsContact C-N 3.33Å; C82-R84 PolarHBondContact O-N 3.09Å; R84-N86 VanDerWaalsContact C-N 3.29Å
85L97.6Very high97.1Very high110 Ų11065 Ų6558%0.57635%0.347SS*.THydrogen-bonded Turntrans-85.62.2173.5-66.9179.6000113.3F81 C82 K83 A87F81-L85 HydrophobicContact CD1-CD1 3.83Å; F81-L85 HydrophobicContact CE1-CD1 3.28Å; F81-L85 HydrophobicContact CE1-CG 4.29Å; F81-L85 HydrophobicContact CZ-CD1 3.76Å; F81-L85 PolarHBondContact O-N 3.26Å; C82-L85 CarbonylContact O-C 3.52Å; C82-L85 WeakPolarHBondContact O-CA 3.27Å; C82-L85 PolarHBondContact O-N 2.58Å; K83-L85 PolarHBondContact O-N 3.4Å; L85-A87 HydrophobicContact CB-CB 4.4Å; L85-A87 PolarHBondContact O-N 2.94Å
86N96.8Very high97.1Very high156 Ų15667.7 Ų67.783%0.83436%0.361SS*.THydrogen-bonded Turntrans54.330.5-169.4-59.1-54.2000113C82 K83 R84C82-N86 PolarHBondContact O-N 2.86Å; K83-N86 PolarHBondContact O-N 3.12Å; R84-N86 VanDerWaalsContact C-N 3.29Å
87A97.8Very high97Very high47 Ų4767.3 Ų67.339%0.38836%0.361SS..  trans-93.9130.4175.400000110C82 L85 A89C82-A87 HydrophobicContact CB-CB 4.33Å; C82-A87 PolarHBondContact O-N 3.49Å; L85-A87 HydrophobicContact CB-CB 4.4Å; L85-A87 PolarHBondContact O-N 2.94Å; A87-A89 PolarHBondContact O-N 2.66Å
88K97.4Very high97Very high143 Ų14366.2 Ų66.262%0.62235%0.349SS*.  trans-65.4131.2170.2-65.3-174.4169.4-1220109.2D8D8-K88 HydrophobicContact CB-CB 4.18Å; D8-K88 HydrophobicContact CB-CG 4.35Å; D8-K88 IonicContact OD1-NZ 3.55Å; D8-K88 VanDerWaalsContact OD2-CD 3.31Å; D8-K88 WeakPolarHBondContact OD2-CD 3.5Å; D8-K88 VanDerWaalsContact OD2-CE 3.24Å; D8-K88 WeakPolarHBondContact OD2-CE 3.48Å; D8-K88 WeakPolarHBondContact OD2-CG 3.49Å; D8-K88 IonicContact OD2-NZ 3.61Å; D8-K88 PolarHBondContact OD2-NZ 3.08Å
89A98Very high96.9Very high10 Ų1062.8 Ų62.88%0.08333%0.333CS..  trans-137.8151.6-179.500000110.6L7 D8 F78 C82 A87L7-A89 WeakPolarHBondContact CB-O 3.21Å; L7-A89 HydrophobicContact CD2-CB 3.87Å; L7-A89 WeakPolarHBondContact CD2-O 3.12Å; D8-A89 PolarHBondContact N-O 2.9Å; D8-A89 VanDerWaalsContact N-O 3.1Å; F78-A89 HydrophobicContact CE1-CB 3.87Å; F78-A89 HydrophobicContact CZ-CB 4.17Å; C82-A89 HydrophobicContact CB-CB 3.59Å; A87-A89 PolarHBondContact O-N 2.66Å
90A98Very high96.8Very high22 Ų2267 Ų6718%0.18235%0.351CS..  trans-142.7159.5170.600000108.6L11 L15L11-A90 HydrophobicContact CB-CB 4.34Å; L11-A90 HydrophobicContact CD2-CB 3.56Å; L11-A90 HydrophobicContact CG-CB 3.7Å; L15-A90 HydrophobicContact CD1-CB 3.49Å; L15-A90 VanDerWaalsContact CD1-CB 3.49Å
91I97.8Very high96.5Very high41 Ų4170 Ų7021%0.2136%0.363CS..  trans-124128178.9-63.2179.3000107.1L7 F78 N93L7-I91 HydrophobicContact CD1-CB 4Å; L7-I91 HydrophobicContact CD1-CD1 3.93Å; L7-I91 HydrophobicContact CD1-CG1 3.73Å; L7-I91 HydrophobicContact CD2-CD1 4.46Å; L7-I91 HydrophobicContact CD2-CG1 4.26Å; F78-I91 HydrophobicContact CD1-CD1 4.03Å; F78-I91 HydrophobicContact CD1-CG1 3.91Å; F78-I91 HydrophobicContact CE1-CG1 4.05Å; I91-N93 WeakPolarHBondContact CG2-ND2 3.29Å
92V97.8Very high95.9Very high47 Ų4767 Ų6729%0.28535%0.351SS..  trans-125.2112.1179.2-172.30000106.7L15 P119 V123L15-V92 HydrophobicContact CD1-CG2 3.61Å; L15-V92 HydrophobicContact CD2-CG2 3.92Å; L15-V92 HydrophobicContact CG-CG2 4.31Å; V92-P119 HydrophobicContact CB-CB 4.44Å; V92-P119 HydrophobicContact CG1-CB 3.98Å; V92-V123 HydrophobicContact CB-CG2 4.48Å; V92-V123 HydrophobicContact CG2-CG2 4.2Å
93N97.8Very high95.1Very high61 Ų6172.8 Ų72.833%0.32638%0.38SS..  trans-119.9147.9179.8-60.9-32.9000108.8N70 I91N70-N93 WeakPolarHBondContact ND2-CB 3.46Å; N70-N93 PolarHBondContact ND2-ND2 3.49Å; I91-N93 WeakPolarHBondContact CG2-ND2 3.29Å
94V97.4Very high94.5Very high41 Ų4174.8 Ų74.825%0.24839%0.389CS..  trans-92.2141.5162.963.70000109.3L96 Y115 P119V94-L96 HydrophobicContact CG1-CD2 3.79Å; V94-L96 HydrophobicContact CG1-CG 4.2Å; V94-L96 HydrophobicContact CG2-CD2 4.36Å; V94-L96 PolarHBondContact O-N 2.72Å; V94-Y115 WeakPolarHBondContact CG1-O 3.2Å; V94-Y115 HydrophobicContact CG2-CG 4.25Å; V94-P119 HydrophobicContact CB-CG 3.82Å; V94-P119 HydrophobicContact CG1-CG 4.06Å
95C94.9Very high94Very high69 Ų6971.3 Ų71.347%0.46638%0.377SS..  trans-88.4106.6172.1-68.80000109.2
96L95Very high93.6Very high64 Ų6472 Ų7234%0.33539%0.388SS..  trans-82.7-18.1177.5-60.8-177.6000112.9V94 Y105 L107 L112 Y115V94-L96 HydrophobicContact CG1-CD2 3.79Å; V94-L96 HydrophobicContact CG1-CG 4.2Å; V94-L96 HydrophobicContact CG2-CD2 4.36Å; V94-L96 PolarHBondContact O-N 2.72Å; L96-Y105 VanDerWaalsContact O-CD1 3.22Å; L96-Y105 WeakPolarHBondContact O-CD1 3.48Å; L96-Y105 WeakPolarHBondContact O-CE1 3.41Å; L96-L107 HydrophobicContact CD2-CD1 4.46Å; L96-L112 HydrophobicContact CD1-CD1 3.91Å; L96-L112 HydrophobicContact CD2-CD1 3.85Å; L96-L112 HydrophobicContact CG-CD1 4.43Å; L96-Y115 HydrophobicContact CD2-CD2 4.42Å
97A94Very high93.3Very high42 Ų4266.3 Ų66.335%0.34736%0.357SS..  trans-143.1133.8177.800000113.6Y105A97-Y105 WeakPolarHBondContact CA-OH 3.28Å; A97-Y105 HydrophobicContact CB-CD1 4.12Å; A97-Y105 HydrophobicContact CB-CD2 3.97Å; A97-Y105 HydrophobicContact CB-CE1 4.08Å; A97-Y105 HydrophobicContact CB-CE2 3.88Å; A97-Y105 HydrophobicContact CB-CG 4.1Å
98D95.1Very high93.1Very high64 Ų6467.2 Ų67.234%0.34236%0.36SS..  trans-82.6113.7159.9-171.4-19000108.6F100 E101 Y105D98-F100 PolarHBondContact O-N 3.45Å; D98-F100 WeakPolarHBondContact OD1-CB 3.22Å; D98-F100 PolarHBondContact OD1-N 3.11Å; D98-E101 HydrophobicContact CB-CB 4.28Å; D98-E101 CarbonylContact O-C 3.29Å; D98-E101 VanDerWaalsContact O-C 3.29Å; D98-E101 PolarHBondContact O-N 2.64Å; D98-Y105 VanDerWaalsContact N-CE2 3.33Å; D98-Y105 VanDerWaalsContact N-CZ 3.33Å; D98-Y105 PolarHBondContact N-OH 3.38Å
99R95.5Very high93Very high22 Ų2264.2 Ų64.28%0.08336%0.362CS..THydrogen-bonded Turntrans-72.6-11.5-176.8-63.1-61-51.3-67.8-15.8113.3E41 G42 L60 M71 E102E41-R99 PolarHBondContact O-NH1 2.83Å; E41-R99 PolarHBondContact O-NH2 2.97Å; E41-R99 IonicContact OE2-NH1 2.97Å; G42-R99 PolarHBondContact O-NH2 2.72Å; L60-R99 HydrophobicContact CD1-CB 3.93Å; L60-R99 WeakPolarHBondContact CD1-O 3.38Å; L60-R99 HydrophobicContact CD2-CB 4.08Å; M71-R99 HydrophobicContact CE-CB 4.24Å; M71-R99 HydrophobicContact CE-CG 3.6Å; M71-R99 VanDerWaalsContact CE-NH1 3.29Å; R99-E102 IonicContact CZ-OE1 3.85Å; R99-E102 IonicContact NE-OE1 3.41Å; R99-E102 PolarHBondContact NE-OE1 3.05Å; R99-E102 IonicContact NH2-OE1 3.34Å; R99-E102 PolarHBondContact NH2-OE1 2.84Å
100F94.8Very high92.8Very high91 Ų9169 Ų6940%0.39939%0.391SS..THydrogen-bonded Turntrans-84.7-17.1168.5-65.7-82.4000112.8L60 D61 Y64 D98L60-F100 HydrophobicContact CB-CD1 4.46Å; L60-F100 HydrophobicContact CB-CE1 3.7Å; L60-F100 HydrophobicContact CB-CE2 4.32Å; L60-F100 HydrophobicContact CB-CZ 3.62Å; D61-F100 WeakPolarHBondContact OD1-CE1 3.5Å; Y64-F100 HydrophobicContact CD2-CE2 4.44Å; D98-F100 PolarHBondContact O-N 3.45Å; D98-F100 WeakPolarHBondContact OD1-CB 3.22Å; D98-F100 PolarHBondContact OD1-N 3.11Å
101E92.4Very high92.7Very high77 Ų7773.3 Ų73.336%0.3641%0.405SS..  trans-130.458.6-175.1-59.1-172.8133.800111.5D98 D103 K104 Y105D98-E101 HydrophobicContact CB-CB 4.28Å; D98-E101 CarbonylContact O-C 3.29Å; D98-E101 VanDerWaalsContact O-C 3.29Å; D98-E101 PolarHBondContact O-N 2.64Å; E101-D103 PolarHBondContact O-N 2.6Å; E101-D103 VanDerWaalsContact O-N 3.12Å; E101-K104 HydrophobicContact CB-CD 4.11Å; E101-K104 HydrophobicContact CB-CG 4.39Å; E101-K104 PolarHBondContact O-N 3.46Å; E101-K104 IonicContact OE1-NZ 2.77Å; E101-K104 PolarHBondContact OE1-NZ 3.07Å; E101-K104 WeakPolarHBondContact OE2-CD 3.44Å; E101-K104 WeakPolarHBondContact OE2-CE 3.48Å; E101-K104 IonicContact OE2-NZ 3.16Å; E101-K104 PolarHBondContact OE2-NZ 3Å; E101-Y105 WeakPolarHBondContact O-CE2 3.35Å
102E83.5Confident92.5Very high61 Ų6174.1 Ų74.129%0.28541%0.41SS..G310 helixtrans-63.5-18-174.1-66.417515900113.9K53 Q56 R99 K104K53-E102 IonicContact NZ-OE2 2.9Å; K53-E102 PolarHBondContact NZ-OE2 2.55Å; Q56-E102 PolarHBondContact NE2-OE1 3.46Å; R99-E102 IonicContact CZ-OE1 3.85Å; R99-E102 IonicContact NE-OE1 3.41Å; R99-E102 PolarHBondContact NE-OE1 3.05Å; R99-E102 IonicContact NH2-OE1 3.34Å; R99-E102 PolarHBondContact NH2-OE1 2.84Å; E102-K104 VanDerWaalsContact C-N 3.25Å; E102-K104 PolarHBondContact O-N 2.91Å
103D82.7Confident92.4Very high137 Ų13778.2 Ų78.273%0.73343%0.426SS*.G310 helixtrans-72.9-12.9179.164.4-43.3000114.1E101 Y105E101-D103 PolarHBondContact O-N 2.6Å; E101-D103 VanDerWaalsContact O-N 3.12Å; D103-Y105 PolarHBondContact O-N 3.23Å
104K84Confident92.3Very high116 Ų11680.6 Ų80.650%0.50444%0.438SS..G310 helixtrans-84.76.8179-61.3-175.2-176175.30113.8E101 E102E101-K104 HydrophobicContact CB-CD 4.11Å; E101-K104 HydrophobicContact CB-CG 4.39Å; E101-K104 PolarHBondContact O-N 3.46Å; E101-K104 IonicContact OE1-NZ 2.77Å; E101-K104 PolarHBondContact OE1-NZ 3.07Å; E101-K104 WeakPolarHBondContact OE2-CD 3.44Å; E101-K104 WeakPolarHBondContact OE2-CE 3.48Å; E101-K104 IonicContact OE2-NZ 3.16Å; E101-K104 PolarHBondContact OE2-NZ 3Å; E102-K104 VanDerWaalsContact C-N 3.25Å; E102-K104 PolarHBondContact O-N 2.91Å
105Y85.3Confident92.2Very high76 Ų7682.3 Ų82.330%0.29844%0.44SS..  trans-124.6151.2-172.5-59.9-72.4000112.3L96 A97 D98 E101 D103 L107L96-Y105 VanDerWaalsContact O-CD1 3.22Å; L96-Y105 WeakPolarHBondContact O-CD1 3.48Å; L96-Y105 WeakPolarHBondContact O-CE1 3.41Å; A97-Y105 WeakPolarHBondContact CA-OH 3.28Å; A97-Y105 HydrophobicContact CB-CD1 4.12Å; A97-Y105 HydrophobicContact CB-CD2 3.97Å; A97-Y105 HydrophobicContact CB-CE1 4.08Å; A97-Y105 HydrophobicContact CB-CE2 3.88Å; A97-Y105 HydrophobicContact CB-CG 4.1Å; D98-Y105 VanDerWaalsContact N-CE2 3.33Å; D98-Y105 VanDerWaalsContact N-CZ 3.33Å; D98-Y105 PolarHBondContact N-OH 3.38Å; E101-Y105 WeakPolarHBondContact O-CE2 3.35Å; D103-Y105 PolarHBondContact O-N 3.23Å; Y105-L107 HydrophobicContact CD1-CD2 4.18Å; Y105-L107 HydrophobicContact CD1-CG 3.98Å; Y105-L107 HydrophobicContact CE1-CD2 3.8Å; Y105-L107 HydrophobicContact CE1-CG 3.92Å
106P88.9Confident92.2Very high125 Ų12584.4 Ų84.481%0.81244%0.443SS*.SBendcis-75.7155.8532.3-36000113.5
107L91.5Very high92.3Very high37 Ų3785.8 Ų85.819%0.19445%0.449CS..PPolyproline II helixtrans-63.8150.6169.7-65.2173.7000110.5L96 Y105 K111 L112 Y115L96-L107 HydrophobicContact CD2-CD1 4.46Å; Y105-L107 HydrophobicContact CD1-CD2 4.18Å; Y105-L107 HydrophobicContact CD1-CG 3.98Å; Y105-L107 HydrophobicContact CE1-CD2 3.8Å; Y105-L107 HydrophobicContact CE1-CG 3.92Å; L107-K111 HydrophobicContact CB-CB 4.34Å; L107-L112 HydrophobicContact CB-CB 4.4Å; L107-Y115 HydrophobicContact CD1-CD2 3.54Å; L107-Y115 HydrophobicContact CD1-CE2 3.83Å; L107-Y115 HydrophobicContact CD2-CE2 4.47Å
108S94.1Very high92.4Very high65 Ų6586.4 Ų86.446%0.45545%0.445SS..PPolyproline II helixtrans-60.3145.5167.260.50000110.3V110 K111 L112S108-V110 VanDerWaalsContact C-N 3.26Å; S108-V110 PolarHBondContact O-N 2.96Å; S108-V110 VanDerWaalsContact O-N 3.1Å; S108-K111 PolarHBondContact O-N 3.3Å; S108-K111 WeakPolarHBondContact OG-CB 3.34Å; S108-K111 WeakPolarHBondContact OG-CG 3.05Å; S108-L112 PolarHBondContact O-N 3.37Å
109A94.8Very high92.6Very high80 Ų8084.5 Ų84.566%0.66144%0.437SS*.Hα-helixtrans-48.6-43.2-178.600000114K111 L112 E113A109-K111 PolarHBondContact O-N 3.01Å; A109-L112 PolarHBondContact O-N 3.41Å; A109-E113 WeakPolarHBondContact O-CB 3.37Å; A109-E113 PolarHBondContact O-N 3.48Å
110V94.7Very high92.7Very high112 Ų11286.5 Ų86.568%0.67945%0.453SS*.Hα-helixtrans-62-40.9178178.50000112.6S108 L114S108-V110 VanDerWaalsContact C-N 3.26Å; S108-V110 PolarHBondContact O-N 2.96Å; S108-V110 VanDerWaalsContact O-N 3.1Å; V110-L114 WeakPolarHBondContact O-CB 3.3Å; V110-L114 PolarHBondContact O-N 2.82Å; V110-L114 VanDerWaalsContact O-N 3.16Å
111K93.8Very high92.8Very high111 Ų11186.2 Ų86.248%0.48345%0.453SS..Hα-helixtrans-70.4-40.4176.9-75.4-175.5177.7-1760111.4L107 S108 A109 L114 Y115L107-K111 HydrophobicContact CB-CB 4.34Å; S108-K111 PolarHBondContact O-N 3.3Å; S108-K111 WeakPolarHBondContact OG-CB 3.34Å; S108-K111 WeakPolarHBondContact OG-CG 3.05Å; A109-K111 PolarHBondContact O-N 3.01Å; K111-L114 PolarHBondContact O-N 2.96Å; K111-Y115 WeakPolarHBondContact O-CB 3.48Å; K111-Y115 WeakPolarHBondContact O-CD1 3.32Å; K111-Y115 VanDerWaalsContact O-CG 3.23Å; K111-Y115 PolarHBondContact O-N 2.9Å
112L95.2Very high93.1Very high59 Ų5982.7 Ų82.731%0.30944%0.437SS..Hα-helixtrans-60.7-50.5178-178.461.6000110.6L96 L107 S108 A109 L114 Y115 E116L96-L112 HydrophobicContact CD1-CD1 3.91Å; L96-L112 HydrophobicContact CD2-CD1 3.85Å; L96-L112 HydrophobicContact CG-CD1 4.43Å; L107-L112 HydrophobicContact CB-CB 4.4Å; S108-L112 PolarHBondContact O-N 3.37Å; A109-L112 PolarHBondContact O-N 3.41Å; L112-L114 PolarHBondContact O-N 3.03Å; L112-Y115 PolarHBondContact O-N 3.12Å; L112-Y115 VanDerWaalsContact O-N 3.15Å; L112-E116 HydrophobicContact CD1-CG 4.09Å; L112-E116 HydrophobicContact CG-CG 4.37Å; L112-E116 WeakPolarHBondContact O-CB 3.5Å; L112-E116 WeakPolarHBondContact O-CG 3.46Å; L112-E116 PolarHBondContact O-N 2.86Å
113E95.1Very high93.7Very high132 Ų13282.1 Ų82.162%0.61744%0.438SS*.Hα-helixtrans-58.6-45.4178-176.4177.1-169.700112A109 Y115 E116 M117A109-E113 WeakPolarHBondContact O-CB 3.37Å; A109-E113 PolarHBondContact O-N 3.48Å; E113-Y115 VanDerWaalsContact C-N 3.32Å; E113-Y115 PolarHBondContact O-N 2.81Å; E113-E116 PolarHBondContact O-N 3.34Å; E113-M117 WeakPolarHBondContact O-CG 3.38Å; E113-M117 PolarHBondContact O-N 2.95Å
114L94.7Very high94.5Very high112 Ų11278.3 Ų78.359%0.58642%0.419SS*.Hα-helixtrans-59.4-43.8176.118066.1000111.9V110 K111 L112 M118V110-L114 WeakPolarHBondContact O-CB 3.3Å; V110-L114 PolarHBondContact O-N 2.82Å; V110-L114 VanDerWaalsContact O-N 3.16Å; K111-L114 PolarHBondContact O-N 2.96Å; L112-L114 PolarHBondContact O-N 3.03Å; L114-M118 PolarHBondContact O-N 3.1Å
115Y96Very high95.1Very high77 Ų7775.2 Ų75.230%0.30241%0.407SS..Hα-helixtrans-70.8-42.9-177.6-76.38.9000111.7V94 L96 L107 K111 L112 E113 M117 M118 P119V94-Y115 WeakPolarHBondContact CG1-O 3.2Å; V94-Y115 HydrophobicContact CG2-CG 4.25Å; L96-Y115 HydrophobicContact CD2-CD2 4.42Å; L107-Y115 HydrophobicContact CD1-CD2 3.54Å; L107-Y115 HydrophobicContact CD1-CE2 3.83Å; L107-Y115 HydrophobicContact CD2-CE2 4.47Å; K111-Y115 WeakPolarHBondContact O-CB 3.48Å; K111-Y115 WeakPolarHBondContact O-CD1 3.32Å; K111-Y115 VanDerWaalsContact O-CG 3.23Å; K111-Y115 PolarHBondContact O-N 2.9Å; L112-Y115 PolarHBondContact O-N 3.12Å; L112-Y115 VanDerWaalsContact O-N 3.15Å; E113-Y115 VanDerWaalsContact C-N 3.32Å; E113-Y115 PolarHBondContact O-N 2.81Å; Y115-M117 VanDerWaalsContact C-N 3.25Å; Y115-M117 PolarHBondContact O-N 3.44Å; Y115-M118 HydrophobicContact CD1-CE 4.22Å; Y115-M118 WeakPolarHBondContact O-CB 3.49Å; Y115-M118 PolarHBondContact O-N 3.43Å; Y115-M118 VanDerWaalsContact O-N 3.16Å; Y115-P119 WeakPolarHBondContact O-CD 3.32Å
116E96.1Very high95.7Very high112 Ų11272.3 Ų72.352%0.52340%0.396SS..Hα-helixtrans-61.2-33.7178.4-75-179.816500112.6L112 E113L112-E116 HydrophobicContact CD1-CG 4.09Å; L112-E116 HydrophobicContact CG-CG 4.37Å; L112-E116 WeakPolarHBondContact O-CB 3.5Å; L112-E116 WeakPolarHBondContact O-CG 3.46Å; L112-E116 PolarHBondContact O-N 2.86Å; E113-E116 PolarHBondContact O-N 3.34Å
117M96.4Very high96.1Very high94 Ų9471.3 Ų71.346%0.46338%0.382SS..Hα-helixtrans-77.2-23.4177.7-71-56.6-57.600113.9E113 Y115 C120 E121E113-M117 WeakPolarHBondContact O-CG 3.38Å; E113-M117 PolarHBondContact O-N 2.95Å; Y115-M117 VanDerWaalsContact C-N 3.25Å; Y115-M117 PolarHBondContact O-N 3.44Å; M117-C120 WeakPolarHBondContact O-CB 3.34Å; M117-C120 PolarHBondContact O-N 2.79Å; M117-C120 VanDerWaalsContact O-N 3.1Å; M117-E121 PolarHBondContact O-N 2.7Å
118M97Very high96.4Very high54 Ų5474.5 Ų74.527%0.26639%0.391SS..Hα-helixtrans-58.4-45.6-171.4-174-175.2-61.800114.3I24 L114 Y115 C120 E121 V122I24-M118 HydrophobicContact CD1-CG 4Å; I24-M118 HydrophobicContact CG2-CG 4.14Å; I24-M118 HydrophobicContact CG2-SD 3.5Å; I24-M118 WeakPolarHBondContact CG2-SD 3.3Å; L114-M118 PolarHBondContact O-N 3.1Å; Y115-M118 HydrophobicContact CD1-CE 4.22Å; Y115-M118 WeakPolarHBondContact O-CB 3.49Å; Y115-M118 PolarHBondContact O-N 3.43Å; Y115-M118 VanDerWaalsContact O-N 3.16Å; M118-C120 VanDerWaalsContact C-N 3.29Å; M118-C120 PolarHBondContact O-N 3.46Å; M118-E121 PolarHBondContact O-N 3.02Å; M118-V122 WeakPolarHBondContact O-CG2 3.41Å; M118-V122 PolarHBondContact O-N 2.71Å; M118-V122 VanDerWaalsContact O-N 3.12Å
119P97.8Very high96.4Very high24 Ų2475.8 Ų75.816%0.15639%0.386CS..Hα-helixtrans-60.4-38.2175.9-25.436.5000113V92 V94 Y115 V122 V123V92-P119 HydrophobicContact CB-CB 4.44Å; V92-P119 HydrophobicContact CG1-CB 3.98Å; V94-P119 HydrophobicContact CB-CG 3.82Å; V94-P119 HydrophobicContact CG1-CG 4.06Å; Y115-P119 WeakPolarHBondContact O-CD 3.32Å; P119-V122 PolarHBondContact O-N 3.45Å; P119-V123 VanDerWaalsContact O-CG2 3.29Å; P119-V123 WeakPolarHBondContact O-CG2 2.9Å; P119-V123 PolarHBondContact O-N 3.35Å
120C97.4Very high96.4Very high65 Ų6577.3 Ų77.344%0.43938%0.379SS..Hα-helixtrans-64.1-47178.6-171.50000110.6M117 M118 V122 V123 V124M117-C120 WeakPolarHBondContact O-CB 3.34Å; M117-C120 PolarHBondContact O-N 2.79Å; M117-C120 VanDerWaalsContact O-N 3.1Å; M118-C120 VanDerWaalsContact C-N 3.29Å; M118-C120 PolarHBondContact O-N 3.46Å; C120-V122 PolarHBondContact O-N 2.93Å; C120-V123 PolarHBondContact O-N 3.24Å; C120-V124 WeakPolarHBondContact O-CB 3.45Å; C120-V124 VanDerWaalsContact O-CG2 3.31Å; C120-V124 WeakPolarHBondContact O-CG2 3.4Å; C120-V124 PolarHBondContact O-N 3.41Å
121E97.2Very high96.5Very high85 Ų8577.6 Ų77.640%0.39738%0.376SS..Hα-helixtrans-58.4-45.9177.9-70.5-64162.300112M22 M117 M118 V123 V124 Q125M22-E121 HydrophobicContact CE-CB 3.87Å; M117-E121 PolarHBondContact O-N 2.7Å; M118-E121 PolarHBondContact O-N 3.02Å; E121-V123 VanDerWaalsContact C-N 3.34Å; E121-V123 PolarHBondContact O-N 2.85Å; E121-V124 PolarHBondContact O-N 2.92Å; E121-Q125 WeakPolarHBondContact O-CG 3.5Å; E121-Q125 PolarHBondContact O-N 3.46Å
122V98.2Very high96.5Very high3 Ų381.2 Ų81.22%0.01839%0.392CS..Hα-helixtrans-59-45176.1172.20000111.3L15 I18 M22 I24 M118 P119 C120 Q125 L126L15-V122 HydrophobicContact CD2-CG1 3.88Å; I18-V122 HydrophobicContact CB-CG1 4.26Å; I18-V122 HydrophobicContact CG2-CB 4.36Å; I18-V122 HydrophobicContact CG2-CG1 3.9Å; M22-V122 HydrophobicContact SD-CG2 4.19Å; I24-V122 HydrophobicContact CD1-CG2 3.69Å; M118-V122 WeakPolarHBondContact O-CG2 3.41Å; M118-V122 PolarHBondContact O-N 2.71Å; M118-V122 VanDerWaalsContact O-N 3.12Å; P119-V122 PolarHBondContact O-N 3.45Å; C120-V122 PolarHBondContact O-N 2.93Å; V122-Q125 PolarHBondContact O-N 3.26Å; V122-L126 PolarHBondContact O-N 2.99Å; V122-L126 VanDerWaalsContact O-N 3.1Å
123V97.9Very high95.9Very high49 Ų4983.1 Ų83.130%0.29740%0.402SS..Hα-helixtrans-67.4-40.9179.6171.40000111.4V92 P119 C120 E121 L126 M127V92-V123 HydrophobicContact CB-CG2 4.48Å; V92-V123 HydrophobicContact CG2-CG2 4.2Å; P119-V123 VanDerWaalsContact O-CG2 3.29Å; P119-V123 WeakPolarHBondContact O-CG2 2.9Å; P119-V123 PolarHBondContact O-N 3.35Å; C120-V123 PolarHBondContact O-N 3.24Å; E121-V123 VanDerWaalsContact C-N 3.34Å; E121-V123 PolarHBondContact O-N 2.85Å; V123-L126 WeakPolarHBondContact O-CB 3.42Å; V123-L126 PolarHBondContact O-N 2.93Å; V123-M127 HydrophobicContact CG1-CE 3.59Å; V123-M127 HydrophobicContact CG1-CG 4.49Å; V123-M127 HydrophobicContact CG1-SD 4.25Å; V123-M127 WeakPolarHBondContact O-CG 3.43Å; V123-M127 PolarHBondContact O-N 2.59Å
124V97.7Very high94.4Very high56 Ų5684.2 Ų84.234%0.33941%0.408SS..Hα-helixtrans-61.7-44.5176.6167.70000110.8C120 E121 L126 M127 R128C120-V124 WeakPolarHBondContact O-CB 3.45Å; C120-V124 VanDerWaalsContact O-CG2 3.31Å; C120-V124 WeakPolarHBondContact O-CG2 3.4Å; C120-V124 PolarHBondContact O-N 3.41Å; E121-V124 PolarHBondContact O-N 2.92Å; V124-L126 VanDerWaalsContact C-N 3.33Å; V124-L126 PolarHBondContact O-N 3.28Å; V124-M127 WeakPolarHBondContact O-CB 3.47Å; V124-M127 PolarHBondContact O-N 3.07Å; V124-R128 HydrophobicContact CG1-CG 4.36Å; V124-R128 VanDerWaalsContact O-CG 3.29Å; V124-R128 WeakPolarHBondContact O-CG 3.43Å; V124-R128 PolarHBondContact O-N 3.19Å
125Q97.6Very high94.4Very high52 Ų5282.9 Ų82.924%0.24340%0.399CS..Hα-helixtrans-62.5-40.6176.3-65.5-51.3-36.300111.8I18 M22 E121 V122 M127 R128 R129I18-Q125 HydrophobicContact CD1-CB 4.19Å; I18-Q125 HydrophobicContact CG2-CB 3.68Å; I18-Q125 HydrophobicContact CG2-CG 4.45Å; M22-Q125 HydrophobicContact CE-CG 4.03Å; M22-Q125 HydrophobicContact CG-CG 4.45Å; M22-Q125 HydrophobicContact SD-CB 4.18Å; M22-Q125 HydrophobicContact SD-CG 3.62Å; E121-Q125 WeakPolarHBondContact O-CG 3.5Å; E121-Q125 PolarHBondContact O-N 3.46Å; V122-Q125 PolarHBondContact O-N 3.26Å; Q125-M127 VanDerWaalsContact C-N 3.35Å; Q125-M127 PolarHBondContact O-N 3.16Å; Q125-R128 PolarHBondContact O-N 3Å; Q125-R129 PolarHBondContact O-N 3.13Å; Q125-R129 VanDerWaalsContact O-N 3.08Å
126L97.6Very high94.3Very high15 Ų1583.2 Ų83.28%0.07940%0.404CS..Hα-helixtrans-59.4-45.8173-179.662.3000112L11 Q14 L15 I18 V122 V123 V124 R128 R129 Q130L11-L126 HydrophobicContact CD1-CD2 3.71Å; Q14-L126 HydrophobicContact CB-CD1 3.83Å; L15-L126 HydrophobicContact CD2-CB 4.35Å; L15-L126 HydrophobicContact CD2-CD2 3.61Å; L15-L126 HydrophobicContact CG-CD2 3.92Å; I18-L126 HydrophobicContact CG1-CB 4.09Å; I18-L126 HydrophobicContact CG1-CD1 4.38Å; V122-L126 PolarHBondContact O-N 2.99Å; V122-L126 VanDerWaalsContact O-N 3.1Å; V123-L126 WeakPolarHBondContact O-CB 3.42Å; V123-L126 PolarHBondContact O-N 2.93Å; V124-L126 VanDerWaalsContact C-N 3.33Å; V124-L126 PolarHBondContact O-N 3.28Å; L126-R128 PolarHBondContact O-N 3.07Å; L126-R129 WeakPolarHBondContact O-CB 3.42Å; L126-R129 PolarHBondContact O-N 3.2Å; L126-Q130 HydrophobicContact CD1-CG 4.35Å; L126-Q130 WeakPolarHBondContact O-CG 3.28Å; L126-Q130 PolarHBondContact O-N 3.34Å
127M97.4Very high94.2Very high104 Ų10481.6 Ų81.651%0.51240%0.397SS..Hα-helixtrans-61-44.3178.1-71.3176.8177.500111.5V123 V124 Q125 R129 Q130 L131V123-M127 HydrophobicContact CG1-CE 3.59Å; V123-M127 HydrophobicContact CG1-CG 4.49Å; V123-M127 HydrophobicContact CG1-SD 4.25Å; V123-M127 WeakPolarHBondContact O-CG 3.43Å; V123-M127 PolarHBondContact O-N 2.59Å; V124-M127 WeakPolarHBondContact O-CB 3.47Å; V124-M127 PolarHBondContact O-N 3.07Å; Q125-M127 VanDerWaalsContact C-N 3.35Å; Q125-M127 PolarHBondContact O-N 3.16Å; M127-R129 VanDerWaalsContact C-N 3.3Å; M127-R129 PolarHBondContact O-N 3.02Å; M127-Q130 PolarHBondContact O-N 3.47Å; M127-L131 WeakPolarHBondContact O-CB 3.32Å; M127-L131 VanDerWaalsContact O-CG 3.29Å; M127-L131 WeakPolarHBondContact O-CG 3.32Å; M127-L131 PolarHBondContact O-N 3.37Å
128R97.3Very high94.1Very high104 Ų10480.8 Ų80.839%0.39239%0.393SS..Hα-helixtrans-56.9-43.7176.5-71.1174.366.879.18.9111.3V124 Q125 L126 L131 K132 L133 E134V124-R128 HydrophobicContact CG1-CG 4.36Å; V124-R128 VanDerWaalsContact O-CG 3.29Å; V124-R128 WeakPolarHBondContact O-CG 3.43Å; V124-R128 PolarHBondContact O-N 3.19Å; Q125-R128 PolarHBondContact O-N 3Å; L126-R128 PolarHBondContact O-N 3.07Å; R128-L131 CarbonylContact O-C 3.54Å; R128-L131 PolarHBondContact O-N 3.31Å; R128-K132 PolarHBondContact O-N 3.13Å; R128-L133 HydrophobicContact CB-CB 4.38Å; R128-L133 PolarHBondContact NH2-O 3.37Å; R128-L133 PolarHBondContact O-N 2.93Å; R128-E134 HydrophobicContact CB-CG 4.3Å
129R95.6Very high93.9Very high92 Ų9282.5 Ų82.535%0.34740%0.401SS..Hα-helixtrans-62.3-47.9175-72.7-163.7172.4-177-15.2114.1I18 Q125 L126 M127 L131 K132 E134I18-R129 HydrophobicContact CD1-CG 4.33Å; Q125-R129 PolarHBondContact O-N 3.13Å; Q125-R129 VanDerWaalsContact O-N 3.08Å; L126-R129 WeakPolarHBondContact O-CB 3.42Å; L126-R129 PolarHBondContact O-N 3.2Å; M127-R129 VanDerWaalsContact C-N 3.3Å; M127-R129 PolarHBondContact O-N 3.02Å; R129-L131 PolarHBondContact O-N 3.41Å; R129-K132 PolarHBondContact O-N 3.23Å; R129-E134 HydrophobicContact CG-CG 4.29Å; R129-E134 WeakPolarHBondContact CG-OE1 3.35Å; R129-E134 WeakPolarHBondContact CG-OE2 3.45Å; R129-E134 IonicContact CZ-OE2 3.54Å; R129-E134 IonicContact NE-OE1 3.77Å; R129-E134 PolarHBondContact NE-OE1 2.95Å; R129-E134 VanDerWaalsContact NE-OE1 3.16Å; R129-E134 IonicContact NE-OE2 3.45Å; R129-E134 PolarHBondContact NE-OE2 2.8Å; R129-E134 IonicContact NH2-OE2 2.72Å
130Q94.2Very high93.6Very high111 Ų11186.4 Ų86.452%0.51942%0.417SS..Hα-helixtrans-63.9-33.7-178.9-70.7-179.1-5.300111.5L126 M127 K132L126-Q130 HydrophobicContact CD1-CG 4.35Å; L126-Q130 WeakPolarHBondContact O-CG 3.28Å; L126-Q130 PolarHBondContact O-N 3.34Å; M127-Q130 PolarHBondContact O-N 3.47Å; Q130-K132 VanDerWaalsContact C-N 3.32Å
131L96.8Very high93.4Very high118 Ų11887.9 Ų87.962%0.61842%0.416SS*.THydrogen-bonded Turntrans-84.4-2174.8-63.6174.9000113.8M127 R128 R129 L133M127-L131 WeakPolarHBondContact O-CB 3.32Å; M127-L131 VanDerWaalsContact O-CG 3.29Å; M127-L131 WeakPolarHBondContact O-CG 3.32Å; M127-L131 PolarHBondContact O-N 3.37Å; R128-L131 CarbonylContact O-C 3.54Å; R128-L131 PolarHBondContact O-N 3.31Å; R129-L131 PolarHBondContact O-N 3.41Å; L131-L133 VanDerWaalsContact C-N 3.26Å; L131-L133 HydrophobicContact CB-CD1 3.77Å; L131-L133 HydrophobicContact CB-CG 3.74Å; L131-L133 HydrophobicContact CD1-CD1 3.9Å; L131-L133 PolarHBondContact O-N 2.92Å
132K93.2Very high93.1Very high187 Ų18788.2 Ų88.281%0.81342%0.417SS*.THydrogen-bonded Turntrans54.441.7-175.9-52.7178.1-177.9178.20112.7R128 R129 Q130 E134R128-K132 PolarHBondContact O-N 3.13Å; R129-K132 PolarHBondContact O-N 3.23Å; Q130-K132 VanDerWaalsContact C-N 3.32Å; K132-E134 VanDerWaalsContact C-N 3.31Å
133L83.6Confident92.7Very high100 Ų10095.3 Ų95.352%0.52445%0.451SS..  trans-95.120.3177.6-62.5175.6000112.6R128 L131R128-L133 HydrophobicContact CB-CB 4.38Å; R128-L133 PolarHBondContact NH2-O 3.37Å; R128-L133 PolarHBondContact O-N 2.93Å; L131-L133 VanDerWaalsContact C-N 3.26Å; L131-L133 HydrophobicContact CB-CD1 3.77Å; L131-L133 HydrophobicContact CB-CG 3.74Å; L131-L133 HydrophobicContact CD1-CD1 3.9Å; L131-L133 PolarHBondContact O-N 2.92Å
134E63Low92.2Very high155 Ų15599.5 Ų99.572%0.72447%0.465SS*.  trans-104.40175.8-66.3-171.6172.900111.3R128 R129 K132R128-E134 HydrophobicContact CB-CG 4.3Å; R129-E134 HydrophobicContact CG-CG 4.29Å; R129-E134 WeakPolarHBondContact CG-OE1 3.35Å; R129-E134 WeakPolarHBondContact CG-OE2 3.45Å; R129-E134 IonicContact CZ-OE2 3.54Å; R129-E134 IonicContact NE-OE1 3.77Å; R129-E134 PolarHBondContact NE-OE1 2.95Å; R129-E134 VanDerWaalsContact NE-OE1 3.16Å; R129-E134 IonicContact NE-OE2 3.45Å; R129-E134 PolarHBondContact NE-OE2 2.8Å; R129-E134 IonicContact NH2-OE2 2.72Å; K132-E134 VanDerWaalsContact C-N 3.31Å

Retrieved 134 of 134 residues in 299.9 ms (Link to these results)

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