A0A5K4EN30_SCHMA Loading...

Anillin domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EN30, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 891 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M54.6Low63.1Low63 Ų6384.2 Ų84.231%0.3145%0.452SS..  0-56.80-85.3-141-159.500113.3S3 L4 Y24 L57M1-S3 PolarHBondContact O-N 3.12Å; M1-S3 VanDerWaalsContact O-N 3.11Å; M1-L4 WeakPolarHBondContact O-CB 3.38Å; M1-L4 PolarHBondContact O-N 3.19Å; M1-Y24 HydrophobicContact CB-CD2 4.25Å; M1-Y24 HydrophobicContact CB-CE2 3.61Å; M1-Y24 HydrophobicContact CG-CE2 4.43Å; M1-Y24 HydrophobicContact SD-CD2 3.82Å; M1-Y24 HydrophobicContact SD-CE2 4.03Å; M1-L57 HydrophobicContact CE-CD2 3.82Å; M1-L57 HydrophobicContact CE-CG 4.19Å; M1-L57 HydrophobicContact SD-CD2 3.81Å; M1-L57 HydrophobicContact SD-CG 4.41Å
2A56Low64.6Low57 Ų5789.4 Ų89.447%0.47147%0.468SS..Hα-helixtrans-51.9-35.4175.500000112.9L4 F5 R6A2-L4 VanDerWaalsContact C-N 3.3Å; A2-L4 PolarHBondContact O-N 3.49Å; A2-F5 PolarHBondContact O-N 3.46Å; A2-R6 PolarHBondContact O-N 3.34Å; A2-R6 VanDerWaalsContact O-N 3.11Å
3S56.7Low66.1Low76 Ų7687.9 Ų87.953%0.53146%0.46SS..Hα-helixtrans-59.6-27.6171.646.90000115.6M1M1-S3 PolarHBondContact O-N 3.12Å; M1-S3 VanDerWaalsContact O-N 3.11Å
4L59.4Low67.6Low78 Ų7888.8 Ų88.841%0.40847%0.474SS..Hα-helixtrans-71.6-46.5175.6-70.2166.4000110.5M1 A2 R6 K7 I10 M61M1-L4 WeakPolarHBondContact O-CB 3.38Å; M1-L4 PolarHBondContact O-N 3.19Å; A2-L4 VanDerWaalsContact C-N 3.3Å; A2-L4 PolarHBondContact O-N 3.49Å; L4-R6 VanDerWaalsContact C-N 3.27Å; L4-R6 PolarHBondContact O-N 3.41Å; L4-K7 PolarHBondContact O-N 3.12Å; L4-K7 VanDerWaalsContact O-N 3.15Å; L4-I10 HydrophobicContact CB-CD1 3.99Å; L4-M61 HydrophobicContact CD1-CE 4.16Å
5F63.7Low68.9Low44 Ų4492.8 Ų92.819%0.19349%0.486CS..Hα-helixtrans-68.3-25.1176.6-61.2-74.2000113.3A2 K7 I10 L20 E21 Y24A2-F5 PolarHBondContact O-N 3.46Å; F5-K7 PolarHBondContact O-N 2.96Å; F5-I10 HydrophobicContact CD1-CD1 3.68Å; F5-I10 HydrophobicContact CE1-CD1 3.98Å; F5-I10 HydrophobicContact CG-CD1 4.23Å; F5-L20 HydrophobicContact CE1-CD2 3.66Å; F5-L20 HydrophobicContact CE2-CD2 4.37Å; F5-L20 HydrophobicContact CZ-CD2 3.34Å; F5-E21 HydrophobicContact CD1-CG 3.49Å; F5-E21 VanDerWaalsContact CD1-CG 3.49Å; F5-E21 HydrophobicContact CE1-CB 4.11Å; F5-E21 HydrophobicContact CE1-CG 3.32Å; F5-E21 HydrophobicContact CZ-CG 4.25Å; F5-Y24 HydrophobicContact CD2-CD1 4.18Å; F5-Y24 HydrophobicContact CD2-CE1 4.46Å; F5-Y24 HydrophobicContact CD2-CG 4.39Å; F5-Y24 AromaticContact CE2-CD1 3.68Å; F5-Y24 HydrophobicContact CE2-CD1 3.68Å; F5-Y24 AromaticContact CE2-CD2 3.94Å; F5-Y24 HydrophobicContact CE2-CD2 3.94Å; F5-Y24 HydrophobicContact CE2-CE1 4.29Å; F5-Y24 AromaticContact CE2-CG 3.48Å; F5-Y24 HydrophobicContact CE2-CG 3.48Å; F5-Y24 VanDerWaalsContact CE2-CG 3.48Å; F5-Y24 HydrophobicContact CZ-CD1 4.44Å; F5-Y24 HydrophobicContact CZ-CG 4.06Å
6R57.3Low70.1Confident229 Ų22988.3 Ų88.386%0.86446%0.462SS*.THydrogen-bonded Turntrans-72.7-10.8174.3-159.8-178-83.7-171.6-6112.6A2 L4A2-R6 PolarHBondContact O-N 3.34Å; A2-R6 VanDerWaalsContact O-N 3.11Å; L4-R6 VanDerWaalsContact C-N 3.27Å; L4-R6 PolarHBondContact O-N 3.41Å
7K53.5Low71.2Confident185 Ų18583.9 Ų83.980%0.80444%0.439SS*.SBendtrans-108.960.1176.5-78.5-171170.1-175.20112.3L4 F5L4-K7 PolarHBondContact O-N 3.12Å; L4-K7 VanDerWaalsContact O-N 3.15Å; F5-K7 PolarHBondContact O-N 2.96Å
8G62.7Low72.3Confident50 Ų5086.7 Ų86.752%0.51545%0.449SS..SBendtrans66.2-166.9170.100000115.1I10G8-I10 PolarHBondContact O-N 2.95Å
9T71.8Confident73.3Confident120 Ų12084.9 Ų84.974%0.73644%0.44SS*.  trans-66.6122175.747.60000110.4
10I77.9Confident74.2Confident16 Ų1680.8 Ų80.88%0.08242%0.419CS..SBendtrans-87-24.9-173.5-45.3171.4000111.1L4 F5 G8 V64 K68L4-I10 HydrophobicContact CB-CD1 3.99Å; F5-I10 HydrophobicContact CD1-CD1 3.68Å; F5-I10 HydrophobicContact CE1-CD1 3.98Å; F5-I10 HydrophobicContact CG-CD1 4.23Å; G8-I10 PolarHBondContact O-N 2.95Å; I10-V64 HydrophobicContact CG2-CG1 3.81Å; I10-K68 WeakPolarHBondContact O-CE 3.37Å; I10-K68 PolarHBondContact O-NZ 3.42Å; I10-K68 VanDerWaalsContact O-NZ 3.17Å
11S80.9Confident75Confident8 Ų879.9 Ų79.96%0.05641%0.412CS..  trans-127.1153.1176.9-1790000110.3D13 E67S11-D13 PolarHBondContact OG-N 3.19Å; S11-D13 VanDerWaalsContact OG-N 3.16Å; S11-E67 WeakPolarHBondContact CA-OE2 3.22Å; S11-E67 VanDerWaalsContact CB-OE2 3.27Å; S11-E67 WeakPolarHBondContact CB-OE2 3.23Å; S11-E67 PolarHBondContact OG-OE1 3.34Å; S11-E67 PolarHBondContact OG-OE2 3.46Å
12K80.5Confident76.9Confident147 Ų14781.8 Ų81.864%0.63942%0.416SS*.SBendtrans-79.3-23.7169.7-59.6169.9174.9175.20112.4P14 E67 D71K12-P14 VanDerWaalsContact O-CD 3.28Å; K12-P14 WeakPolarHBondContact O-CD 3.4Å; K12-E67 WeakPolarHBondContact CA-OE1 3.47Å; K12-E67 WeakPolarHBondContact CB-OE1 3.36Å; K12-E67 WeakPolarHBondContact CG-OE1 3.35Å; K12-E67 PolarHBondContact N-OE1 3.24Å; K12-D71 WeakPolarHBondContact CE-OD2 3.43Å; K12-D71 IonicContact NZ-OD1 3.78Å; K12-D71 PolarHBondContact NZ-OD1 3.35Å; K12-D71 IonicContact NZ-OD2 3.58Å; K12-D71 PolarHBondContact NZ-OD2 3.06Å
13D84.1Confident78.7Confident70 Ų7079.9 Ų79.937%0.37440%0.397SS..  trans-78.6113.4173.4174.117.4000109.8S11 K15 L16 Q17S11-D13 PolarHBondContact OG-N 3.19Å; S11-D13 VanDerWaalsContact OG-N 3.16Å; D13-K15 PolarHBondContact O-N 3.08Å; D13-K15 WeakPolarHBondContact OD1-CB 3.26Å; D13-K15 PolarHBondContact OD1-N 3.03Å; D13-L16 HydrophobicContact CB-CB 3.91Å; D13-L16 PolarHBondContact O-N 2.77Å; D13-L16 WeakPolarHBondContact OD2-CB 3.25Å; D13-L16 PolarHBondContact OD2-N 2.96Å; D13-Q17 PolarHBondContact O-N 3.28Å
14P87Confident80.3Confident100 Ų10079 Ų7965%0.64938%0.383SS*.Hα-helixtrans-63.3-27.3179.527.2-35.6000112.6K12 Q18K12-P14 VanDerWaalsContact O-CD 3.28Å; K12-P14 WeakPolarHBondContact O-CD 3.4Å; P14-Q18 VanDerWaalsContact O-CB 3.24Å; P14-Q18 WeakPolarHBondContact O-CB 3.33Å; P14-Q18 PolarHBondContact O-N 2.98Å
15K87.6Confident82Confident149 Ų14981.2 Ų81.265%0.64839%0.389SS*.Hα-helixtrans-71.6-48.5176.6-68.4178.9178.1173.60111D13 Q17 Q18 D19D13-K15 PolarHBondContact O-N 3.08Å; D13-K15 WeakPolarHBondContact OD1-CB 3.26Å; D13-K15 PolarHBondContact OD1-N 3.03Å; K15-Q17 VanDerWaalsContact C-N 3.33Å; K15-Q17 PolarHBondContact O-N 3.22Å; K15-Q18 PolarHBondContact O-N 3Å; K15-D19 PolarHBondContact O-N 2.92Å
16L88.6Confident83.4Confident20 Ų2081.6 Ų81.611%0.10539%0.393CS..Hα-helixtrans-58.8-44.1176.1-178.755.1000111.6D13 D19 L20 C60 L63 V64D13-L16 HydrophobicContact CB-CB 3.91Å; D13-L16 PolarHBondContact O-N 2.77Å; D13-L16 WeakPolarHBondContact OD2-CB 3.25Å; D13-L16 PolarHBondContact OD2-N 2.96Å; L16-D19 PolarHBondContact O-N 3.09Å; L16-L20 VanDerWaalsContact O-CB 3.31Å; L16-L20 WeakPolarHBondContact O-CB 3.42Å; L16-L20 PolarHBondContact O-N 3.23Å; L16-C60 HydrophobicContact CD1-CB 3.83Å; L16-L63 HydrophobicContact CD1-CB 4.09Å; L16-L63 HydrophobicContact CD1-CD1 3.76Å; L16-L63 HydrophobicContact CD2-CB 3.66Å; L16-L63 HydrophobicContact CD2-CD1 4.41Å; L16-V64 HydrophobicContact CD2-CG2 3.75Å; L16-V64 HydrophobicContact CG-CG2 4Å
17Q88.3Confident85.1Confident15 Ų1573.9 Ų73.97%0.0736%0.364CS..Hα-helixtrans-58.9-47.6173.8177.965.334.200111.7D13 K15 L20 E21D13-Q17 PolarHBondContact O-N 3.28Å; K15-Q17 VanDerWaalsContact C-N 3.33Å; K15-Q17 PolarHBondContact O-N 3.22Å; Q17-L20 PolarHBondContact O-N 2.84Å; Q17-E21 PolarHBondContact NE2-OE1 2.91Å; Q17-E21 PolarHBondContact O-N 3.38Å
18Q91.2Very high86.8Confident134 Ų13466.9 Ų66.963%0.62634%0.341SS*.Hα-helixtrans-61.5-44.5179.2-176.317941.100112.3P14 K15 R22P14-Q18 VanDerWaalsContact O-CB 3.24Å; P14-Q18 WeakPolarHBondContact O-CB 3.33Å; P14-Q18 PolarHBondContact O-N 2.98Å; K15-Q18 PolarHBondContact O-N 3Å; Q18-R22 WeakPolarHBondContact O-CB 3.35Å; Q18-R22 PolarHBondContact O-N 3.13Å
19D91Very high88.3Confident53 Ų5366 Ų6628%0.28333%0.329SS..Hα-helixtrans-67.6-39.1178.2-94.6-27.6000111.7K15 L16 E21 R22 F23K15-D19 PolarHBondContact O-N 2.92Å; L16-D19 PolarHBondContact O-N 3.09Å; D19-E21 PolarHBondContact O-N 2.85Å; D19-R22 PolarHBondContact O-N 3.14Å; D19-R22 IonicContact OD1-NH1 2.79Å; D19-R22 PolarHBondContact OD1-NH1 3.28Å; D19-F23 HydrophobicContact CB-CD2 4.2Å; D19-F23 HydrophobicContact CB-CE2 3.72Å; D19-F23 HydrophobicContact CB-CZ 4.43Å; D19-F23 WeakPolarHBondContact O-CD2 3.36Å; D19-F23 VanDerWaalsContact O-CG 3.31Å; D19-F23 WeakPolarHBondContact O-CG 3.41Å; D19-F23 PolarHBondContact O-N 2.86Å
20L91.2Very high89.3Confident1 Ų160.5 Ų60.51%0.00530%0.295CS..Hα-helixtrans-61-46.2176.5-148.9166.2000111.2F5 L16 Q17 Y24 L57 C60 M61 V64F5-L20 HydrophobicContact CE1-CD2 3.66Å; F5-L20 HydrophobicContact CE2-CD2 4.37Å; F5-L20 HydrophobicContact CZ-CD2 3.34Å; L16-L20 VanDerWaalsContact O-CB 3.31Å; L16-L20 WeakPolarHBondContact O-CB 3.42Å; L16-L20 PolarHBondContact O-N 3.23Å; Q17-L20 PolarHBondContact O-N 2.84Å; L20-Y24 WeakPolarHBondContact O-CB 3.5Å; L20-Y24 PolarHBondContact O-N 2.83Å; L20-Y24 VanDerWaalsContact O-N 3.08Å; L20-L57 HydrophobicContact CD2-CD1 3.56Å; L20-L57 HydrophobicContact CG-CD1 4.11Å; L20-C60 HydrophobicContact CB-CB 4.2Å; L20-C60 HydrophobicContact CD1-CB 4.27Å; L20-C60 HydrophobicContact CG-CB 3.91Å; L20-M61 HydrophobicContact CD1-SD 3.91Å; L20-M61 HydrophobicContact CD2-CG 4.47Å; L20-M61 HydrophobicContact CD2-SD 3.92Å; L20-M61 HydrophobicContact CG-SD 4.34Å; L20-V64 HydrophobicContact CD1-CG2 3.61Å
21E92.1Very high89.9Confident62 Ų6261.6 Ų61.629%0.2930%0.303SS..Hα-helixtrans-62.2-43.9172.6-78.8-174.4-143.200113F5 Q17 D19 Y24 K25F5-E21 HydrophobicContact CD1-CG 3.49Å; F5-E21 VanDerWaalsContact CD1-CG 3.49Å; F5-E21 HydrophobicContact CE1-CB 4.11Å; F5-E21 HydrophobicContact CE1-CG 3.32Å; F5-E21 HydrophobicContact CZ-CG 4.25Å; Q17-E21 PolarHBondContact NE2-OE1 2.91Å; Q17-E21 PolarHBondContact O-N 3.38Å; D19-E21 PolarHBondContact O-N 2.85Å; E21-Y24 PolarHBondContact O-N 3.1Å; E21-K25 WeakPolarHBondContact O-CB 3.41Å; E21-K25 WeakPolarHBondContact O-CD 3.37Å; E21-K25 VanDerWaalsContact O-CG 3.28Å; E21-K25 WeakPolarHBondContact O-CG 3.2Å; E21-K25 PolarHBondContact O-N 2.78Å; E21-K25 IonicContact OE2-NZ 2.8Å; E21-K25 PolarHBondContact OE2-NZ 3.45Å
22R93.5Very high90.5Very high103 Ų10369.1 Ų69.139%0.38933%0.331SS..Hα-helixtrans-63-47.8-178.9174.3175.4165.2-107.2-15.2111.2Q18 D19 Y24 K25 I26Q18-R22 WeakPolarHBondContact O-CB 3.35Å; Q18-R22 PolarHBondContact O-N 3.13Å; D19-R22 PolarHBondContact O-N 3.14Å; D19-R22 IonicContact OD1-NH1 2.79Å; D19-R22 PolarHBondContact OD1-NH1 3.28Å; R22-Y24 VanDerWaalsContact C-N 3.35Å; R22-K25 PolarHBondContact O-N 3.47Å; R22-I26 HydrophobicContact CG-CD1 3.79Å; R22-I26 WeakPolarHBondContact O-CB 3.32Å; R22-I26 VanDerWaalsContact O-CG1 3.26Å; R22-I26 WeakPolarHBondContact O-CG1 3.35Å; R22-I26 PolarHBondContact O-N 3.37Å
23F93.1Very high91.1Very high17 Ų1764.9 Ų64.98%0.07531%0.314CS..Hα-helixtrans-66.1-37.1177.2-62-49.1000111.7D19 I26 R27 Q56 L57D19-F23 HydrophobicContact CB-CD2 4.2Å; D19-F23 HydrophobicContact CB-CE2 3.72Å; D19-F23 HydrophobicContact CB-CZ 4.43Å; D19-F23 WeakPolarHBondContact O-CD2 3.36Å; D19-F23 VanDerWaalsContact O-CG 3.31Å; D19-F23 WeakPolarHBondContact O-CG 3.41Å; D19-F23 PolarHBondContact O-N 2.86Å; F23-I26 PolarHBondContact O-N 3.15Å; F23-R27 VanDerWaalsContact O-CB 3.27Å; F23-R27 WeakPolarHBondContact O-CB 3.03Å; F23-R27 PolarHBondContact O-N 3.16Å; F23-Q56 HydrophobicContact CD1-CB 3.81Å; F23-Q56 HydrophobicContact CD1-CG 4.39Å; F23-Q56 HydrophobicContact CD2-CB 3.81Å; F23-Q56 HydrophobicContact CE1-CB 3.89Å; F23-Q56 VanDerWaalsContact CE1-CD 3.42Å; F23-Q56 HydrophobicContact CE1-CG 4.06Å; F23-Q56 HydrophobicContact CE2-CB 3.87Å; F23-Q56 HydrophobicContact CG-CB 3.79Å; F23-Q56 HydrophobicContact CZ-CB 3.93Å; F23-Q56 HydrophobicContact CZ-CG 4.13Å; F23-L57 HydrophobicContact CB-CB 4.05Å; F23-L57 HydrophobicContact CB-CD1 4.47Å
24Y91.5Very high91.3Very high57 Ų5763.1 Ų63.122%0.22431%0.305CS..Hα-helixtrans-61-46.1172.7-176.9-102.4000112.6M1 F5 L20 E21 R22 R27 A28 L57M1-Y24 HydrophobicContact CB-CD2 4.25Å; M1-Y24 HydrophobicContact CB-CE2 3.61Å; M1-Y24 HydrophobicContact CG-CE2 4.43Å; M1-Y24 HydrophobicContact SD-CD2 3.82Å; M1-Y24 HydrophobicContact SD-CE2 4.03Å; F5-Y24 HydrophobicContact CD2-CD1 4.18Å; F5-Y24 HydrophobicContact CD2-CE1 4.46Å; F5-Y24 HydrophobicContact CD2-CG 4.39Å; F5-Y24 AromaticContact CE2-CD1 3.68Å; F5-Y24 HydrophobicContact CE2-CD1 3.68Å; F5-Y24 AromaticContact CE2-CD2 3.94Å; F5-Y24 HydrophobicContact CE2-CD2 3.94Å; F5-Y24 HydrophobicContact CE2-CE1 4.29Å; F5-Y24 AromaticContact CE2-CG 3.48Å; F5-Y24 HydrophobicContact CE2-CG 3.48Å; F5-Y24 VanDerWaalsContact CE2-CG 3.48Å; F5-Y24 HydrophobicContact CZ-CD1 4.44Å; F5-Y24 HydrophobicContact CZ-CG 4.06Å; L20-Y24 WeakPolarHBondContact O-CB 3.5Å; L20-Y24 PolarHBondContact O-N 2.83Å; L20-Y24 VanDerWaalsContact O-N 3.08Å; E21-Y24 PolarHBondContact O-N 3.1Å; R22-Y24 VanDerWaalsContact C-N 3.35Å; Y24-R27 PolarHBondContact O-N 2.97Å; Y24-A28 PolarHBondContact O-N 3.2Å; Y24-A28 VanDerWaalsContact O-N 3.09Å; Y24-L57 HydrophobicContact CD2-CD2 4.22Å
25K94.4Very high91.5Very high126 Ų12661.7 Ų61.755%0.54830%0.297SS..Hα-helixtrans-64-44.9177.3-72.7162.6-179.9161.10111.7E21 R22 A28 A29E21-K25 WeakPolarHBondContact O-CB 3.41Å; E21-K25 WeakPolarHBondContact O-CD 3.37Å; E21-K25 VanDerWaalsContact O-CG 3.28Å; E21-K25 WeakPolarHBondContact O-CG 3.2Å; E21-K25 PolarHBondContact O-N 2.78Å; E21-K25 IonicContact OE2-NZ 2.8Å; E21-K25 PolarHBondContact OE2-NZ 3.45Å; R22-K25 PolarHBondContact O-N 3.47Å; K25-A28 PolarHBondContact O-N 2.67Å; K25-A29 PolarHBondContact O-N 3.38Å
26I93.5Very high91.7Very high52 Ų5260.9 Ų60.927%0.26730%0.298SS..Hα-helixtrans-60.3-47.3175.7-70.5167.3000110.8R22 F23 A28 A29 A30 T49R22-I26 HydrophobicContact CG-CD1 3.79Å; R22-I26 WeakPolarHBondContact O-CB 3.32Å; R22-I26 VanDerWaalsContact O-CG1 3.26Å; R22-I26 WeakPolarHBondContact O-CG1 3.35Å; R22-I26 PolarHBondContact O-N 3.37Å; F23-I26 PolarHBondContact O-N 3.15Å; I26-A28 VanDerWaalsContact C-N 3.34Å; I26-A28 PolarHBondContact O-N 2.93Å; I26-A29 WeakPolarHBondContact O-CB 3.28Å; I26-A29 PolarHBondContact O-N 2.93Å; I26-A29 VanDerWaalsContact O-N 3.15Å; I26-A30 WeakPolarHBondContact O-CB 3.39Å; I26-A30 PolarHBondContact O-N 3.36Å; I26-T49 HydrophobicContact CG2-CG2 3.6Å
27R92.6Very high91.7Very high66 Ų6660.4 Ų60.425%0.24930%0.297CS..Hα-helixtrans-58.4-45.2179.2-161.2-172.976.31056.2111.9F23 Y24 A30 C31 L50 S53F23-R27 VanDerWaalsContact O-CB 3.27Å; F23-R27 WeakPolarHBondContact O-CB 3.03Å; F23-R27 PolarHBondContact O-N 3.16Å; Y24-R27 PolarHBondContact O-N 2.97Å; R27-A30 PolarHBondContact O-N 3.45Å; R27-C31 PolarHBondContact O-N 2.96Å; R27-C31 PolarHBondContact O-SG 3.28Å; R27-C31 VanDerWaalsContact O-SG 3.33Å; R27-L50 HydrophobicContact CG-CD1 3.46Å; R27-L50 VanDerWaalsContact CG-CD1 3.46Å; R27-S53 WeakPolarHBondContact CA-OG 3.42Å; R27-S53 WeakPolarHBondContact CB-OG 3.36Å
28A90.3Very high91.6Very high39 Ų3968 Ų6832%0.32233%0.333SS..Hα-helixtrans-67.5-32.8177.500000113.2Y24 K25 I26 R32Y24-A28 PolarHBondContact O-N 3.2Å; Y24-A28 VanDerWaalsContact O-N 3.09Å; K25-A28 PolarHBondContact O-N 2.67Å; I26-A28 VanDerWaalsContact C-N 3.34Å; I26-A28 PolarHBondContact O-N 2.93Å; A28-R32 PolarHBondContact O-N 3.46Å; A28-R32 PolarHBondContact O-NE 2.82Å
29A93.3Very high91.5Very high32 Ų3264.7 Ų64.726%0.26432%0.32SS..Hα-helixtrans-67.8-45.6171.700000111.6K25 I26 C31 R32 I33K25-A29 PolarHBondContact O-N 3.38Å; I26-A29 WeakPolarHBondContact O-CB 3.28Å; I26-A29 PolarHBondContact O-N 2.93Å; I26-A29 VanDerWaalsContact O-N 3.15Å; A29-C31 PolarHBondContact O-N 2.9Å; A29-R32 PolarHBondContact O-N 2.97Å; A29-R32 VanDerWaalsContact O-N 3.09Å; A29-I33 WeakPolarHBondContact O-CG1 3.26Å; A29-I33 PolarHBondContact O-N 3.4Å
30A93.3Very high91.4Very high3 Ų362.8 Ų62.83%0.02531%0.31CS..Hα-helixtrans-59.3-44.3178.200000112.4I26 R27 R32 I33 L34 T49 L50I26-A30 WeakPolarHBondContact O-CB 3.39Å; I26-A30 PolarHBondContact O-N 3.36Å; R27-A30 PolarHBondContact O-N 3.45Å; A30-R32 VanDerWaalsContact C-N 3.3Å; A30-R32 PolarHBondContact O-N 2.82Å; A30-I33 PolarHBondContact O-N 2.83Å; A30-L34 WeakPolarHBondContact O-CB 3.35Å; A30-L34 PolarHBondContact O-N 2.88Å; A30-T49 HydrophobicContact CB-CG2 3.93Å; A30-L50 HydrophobicContact CB-CB 3.98Å
31C90.9Very high91.4Very high39 Ų3965.7 Ų65.726%0.26433%0.325SS..Hα-helixtrans-56.6-41.4173-67.30000112.8R27 A29 S35 L50R27-C31 PolarHBondContact O-N 2.96Å; R27-C31 PolarHBondContact O-SG 3.28Å; R27-C31 VanDerWaalsContact O-SG 3.33Å; A29-C31 PolarHBondContact O-N 2.9Å; C31-S35 PolarHBondContact O-N 2.91Å; C31-S35 PolarHBondContact O-OG 2.9Å; C31-L50 WeakPolarHBondContact SG-CD1 3.38Å
32R93.2Very high91.4Very high167 Ų16765.9 Ų65.963%0.6333%0.326SS*.Hα-helixtrans-67.8-45.1178.5-73-176.1-67.7176.43.4111.6A28 A29 A30 L34 S35 I36A28-R32 PolarHBondContact O-N 3.46Å; A28-R32 PolarHBondContact O-NE 2.82Å; A29-R32 PolarHBondContact O-N 2.97Å; A29-R32 VanDerWaalsContact O-N 3.09Å; A30-R32 VanDerWaalsContact C-N 3.3Å; A30-R32 PolarHBondContact O-N 2.82Å; R32-L34 VanDerWaalsContact C-N 3.33Å; R32-L34 PolarHBondContact O-N 2.82Å; R32-S35 WeakPolarHBondContact O-CB 3.38Å; R32-S35 PolarHBondContact O-N 2.95Å; R32-S35 VanDerWaalsContact O-N 3.12Å; R32-I36 WeakPolarHBondContact O-CG1 3.13Å; R32-I36 PolarHBondContact O-N 2.98Å
33I91.9Very high91.3Very high58 Ų5865 Ų6530%0.29732%0.323SS..Hα-helixtrans-59.7-45.9176.2-62.8168.6000110.3A29 A30 S35 I36 A37 Q42 A46A29-I33 WeakPolarHBondContact O-CG1 3.26Å; A29-I33 PolarHBondContact O-N 3.4Å; A30-I33 PolarHBondContact O-N 2.83Å; I33-S35 PolarHBondContact O-N 2.87Å; I33-S35 VanDerWaalsContact O-N 3.14Å; I33-I36 WeakPolarHBondContact O-CG1 3.28Å; I33-I36 PolarHBondContact O-N 2.99Å; I33-I36 VanDerWaalsContact O-N 3.09Å; I33-A37 HydrophobicContact CG2-CB 4.19Å; I33-A37 WeakPolarHBondContact O-CB 3.36Å; I33-A37 PolarHBondContact O-N 3.09Å; I33-Q42 HydrophobicContact CG2-CG 4.16Å; I33-A46 HydrophobicContact CB-CB 4.01Å; I33-A46 HydrophobicContact CG2-CB 3.72Å
34L89.9Confident91.3Very high32 Ų3264.4 Ų64.417%0.16832%0.321CS..Hα-helixtrans-60.2-25.3178.2-170.462.4000113.3A30 R32 R43 A46 A47 L50 Y266A30-L34 WeakPolarHBondContact O-CB 3.35Å; A30-L34 PolarHBondContact O-N 2.88Å; R32-L34 VanDerWaalsContact C-N 3.33Å; R32-L34 PolarHBondContact O-N 2.82Å; L34-R43 HydrophobicContact CD1-CB 4.27Å; L34-R43 WeakPolarHBondContact CD1-O 3.36Å; L34-A46 HydrophobicContact CB-CB 4.2Å; L34-A46 HydrophobicContact CD1-CB 4.46Å; L34-A47 HydrophobicContact CD1-CB 4.09Å; L34-A47 HydrophobicContact CD2-CB 4.47Å; L34-L50 HydrophobicContact CD2-CD2 3.97Å; L34-Y266 HydrophobicContact CD1-CE1 4.34Å; L34-Y266 HydrophobicContact CD1-CE2 4.09Å; L34-Y266 HydrophobicContact CD2-CD2 4.43Å; L34-Y266 HydrophobicContact CD2-CE2 3.88Å; L34-Y266 HydrophobicContact CG-CE2 4.37Å
35S90.1Very high91.4Very high71 Ų7163.1 Ų63.150%0.49732%0.318SS..Hα-helixtrans-84.8-15.5179-52.10000114.2C31 R32 I33 I237C31-S35 PolarHBondContact O-N 2.91Å; C31-S35 PolarHBondContact O-OG 2.9Å; R32-S35 WeakPolarHBondContact O-CB 3.38Å; R32-S35 PolarHBondContact O-N 2.95Å; R32-S35 VanDerWaalsContact O-N 3.12Å; I33-S35 PolarHBondContact O-N 2.87Å; I33-S35 VanDerWaalsContact O-N 3.14Å; S35-I237 WeakPolarHBondContact OG-CD1 3.49Å
36I91.8Very high91.4Very high131 Ų13157.4 Ų57.467%0.67229%0.294SS*.Hα-helixtrans-122.1-22.2-174.567.9-179.2000113.5R32 I33 Q38R32-I36 WeakPolarHBondContact O-CG1 3.13Å; R32-I36 PolarHBondContact O-N 2.98Å; I33-I36 WeakPolarHBondContact O-CG1 3.28Å; I33-I36 PolarHBondContact O-N 2.99Å; I33-I36 VanDerWaalsContact O-N 3.09Å; I36-Q38 PolarHBondContact O-N 2.77Å
37A88.7Confident91.5Very high10 Ų1055.2 Ų55.28%0.08328%0.283CS..  trans-70.6124.2-178.100000110.5I33 Q42 R43I33-A37 HydrophobicContact CG2-CB 4.19Å; I33-A37 WeakPolarHBondContact O-CB 3.36Å; I33-A37 PolarHBondContact O-N 3.09Å; A37-Q42 HydrophobicContact CB-CB 4.1Å; A37-Q42 HydrophobicContact CB-CG 3.79Å; A37-R43 HydrophobicContact CB-CG 3.8Å; A37-R43 WeakPolarHBondContact O-CD 3.26Å; A37-R43 WeakPolarHBondContact O-CG 3.38Å
38Q87.4Confident91.6Very high175 Ų17552.5 Ų52.582%0.81827%0.273SS*.  trans-89.7-45.5174.3-66176-12.800110.7I36 R43I36-Q38 PolarHBondContact O-N 2.77Å; Q38-R43 PolarHBondContact O-NE 3.3Å; Q38-R43 PolarHBondContact O-NH2 3.07Å
39N88Confident91.9Very high64 Ų6452.6 Ų52.634%0.34227%0.27SS..SBendtrans-55.6131.1179.2176.1-81.6000111.6L41 Q42 R43N39-L41 WeakPolarHBondContact OD1-CB 3.18Å; N39-L41 PolarHBondContact OD1-N 3.47Å; N39-Q42 HydrophobicContact CB-CB 4.17Å; N39-Q42 PolarHBondContact O-N 3.11Å; N39-Q42 PolarHBondContact OD1-N 3.32Å; N39-R43 PolarHBondContact O-N 3.11Å
40P88.5Confident91.9Very high14 Ų1452.1 Ų52.19%0.09126%0.263CS..Hα-helixtrans-64.7-41.5-174.226.5-36.7000113.3Q42 R43 L44 E164 C166 F188P40-Q42 VanDerWaalsContact C-N 3.34Å; P40-Q42 PolarHBondContact O-N 2.79Å; P40-R43 PolarHBondContact O-N 3.49Å; P40-L44 WeakPolarHBondContact O-CG 3.44Å; P40-L44 PolarHBondContact O-N 2.87Å; P40-E164 WeakPolarHBondContact CG-O 3.33Å; P40-C166 HydrophobicContact CB-CB 4.25Å; P40-F188 HydrophobicContact CB-CE2 4.27Å; P40-F188 HydrophobicContact CB-CZ 4.06Å; P40-F188 HydrophobicContact CG-CZ 3.91Å
41L91.1Very high92Very high61 Ų6153.6 Ų53.632%0.31927%0.27SS..Hα-helixtrans-61.6-43.9176.9169.863000110.8N39 R43 L44 D45 L186 F188N39-L41 WeakPolarHBondContact OD1-CB 3.18Å; N39-L41 PolarHBondContact OD1-N 3.47Å; L41-R43 PolarHBondContact O-N 2.85Å; L41-L44 PolarHBondContact O-N 3.21Å; L41-D45 WeakPolarHBondContact O-CB 3.4Å; L41-D45 PolarHBondContact O-N 2.63Å; L41-L186 HydrophobicContact CD1-CD2 4.12Å; L41-F188 HydrophobicContact CB-CD1 4.25Å; L41-F188 HydrophobicContact CB-CD2 4.06Å; L41-F188 HydrophobicContact CB-CE1 4.09Å; L41-F188 HydrophobicContact CB-CE2 3.89Å; L41-F188 HydrophobicContact CB-CG 4.25Å; L41-F188 HydrophobicContact CB-CZ 3.91Å; L41-F188 HydrophobicContact CD1-CB 3.77Å; L41-F188 HydrophobicContact CD1-CD1 4.28Å; L41-F188 HydrophobicContact CD1-CD2 3.82Å; L41-F188 HydrophobicContact CD1-CG 3.7Å; L41-F188 HydrophobicContact CG-CG 4.48Å
42Q92Very high92.1Very high66 Ų6651.9 Ų51.931%0.30826%0.259SS..Hα-helixtrans-64.1-39.3176.8-168.5-174.412.600112.2I33 A37 N39 P40 A46I33-Q42 HydrophobicContact CG2-CG 4.16Å; A37-Q42 HydrophobicContact CB-CB 4.1Å; A37-Q42 HydrophobicContact CB-CG 3.79Å; N39-Q42 HydrophobicContact CB-CB 4.17Å; N39-Q42 PolarHBondContact O-N 3.11Å; N39-Q42 PolarHBondContact OD1-N 3.32Å; P40-Q42 VanDerWaalsContact C-N 3.34Å; P40-Q42 PolarHBondContact O-N 2.79Å; Q42-A46 WeakPolarHBondContact O-CB 3.32Å; Q42-A46 PolarHBondContact O-N 3.3Å
43R92Very high92.2Very high86 Ų8644 Ų4433%0.32523%0.229SC..Hα-helixtrans-62.6-46.5173.5-76.9-172.5-77140.6-1.7111.8L34 A37 Q38 N39 P40 L41 A46 A47L34-R43 HydrophobicContact CD1-CB 4.27Å; L34-R43 WeakPolarHBondContact CD1-O 3.36Å; A37-R43 HydrophobicContact CB-CG 3.8Å; A37-R43 WeakPolarHBondContact O-CD 3.26Å; A37-R43 WeakPolarHBondContact O-CG 3.38Å; Q38-R43 PolarHBondContact O-NE 3.3Å; Q38-R43 PolarHBondContact O-NH2 3.07Å; N39-R43 PolarHBondContact O-N 3.11Å; P40-R43 PolarHBondContact O-N 3.49Å; L41-R43 PolarHBondContact O-N 2.85Å; R43-A46 PolarHBondContact O-N 2.85Å; R43-A47 WeakPolarHBondContact O-CB 3.28Å; R43-A47 PolarHBondContact O-N 2.91Å
44L93Very high92.2Very high4 Ų444.2 Ų44.22%0.02123%0.229CC..Hα-helixtrans-69.8-37-179.2-67.4-174.8000112.9P40 L41 A46 A47 K48 S170 L186 F188 F221 Y266 F267P40-L44 WeakPolarHBondContact O-CG 3.44Å; P40-L44 PolarHBondContact O-N 2.87Å; L41-L44 PolarHBondContact O-N 3.21Å; L44-A46 VanDerWaalsContact C-N 3.33Å; L44-A46 PolarHBondContact O-N 3.31Å; L44-A47 PolarHBondContact O-N 3.35Å; L44-K48 VanDerWaalsContact O-CB 3.3Å; L44-K48 WeakPolarHBondContact O-CB 3.36Å; L44-K48 PolarHBondContact O-N 3.15Å; L44-S170 WeakPolarHBondContact CD1-OG 3.38Å; L44-L186 HydrophobicContact CB-CD2 3.76Å; L44-F188 HydrophobicContact CD1-CD2 3.99Å; L44-F188 HydrophobicContact CD1-CE2 3.87Å; L44-F221 HydrophobicContact CD1-CB 4.46Å; L44-F221 HydrophobicContact CD1-CD1 3.53Å; L44-F221 HydrophobicContact CD1-CE1 3.95Å; L44-F221 HydrophobicContact CD1-CG 4.17Å; L44-F221 HydrophobicContact CD2-CB 4.45Å; L44-F221 HydrophobicContact CD2-CD1 3.84Å; L44-F221 HydrophobicContact CD2-CD2 4.15Å; L44-F221 HydrophobicContact CD2-CE1 3.98Å; L44-F221 HydrophobicContact CD2-CE2 4.27Å; L44-F221 HydrophobicContact CD2-CG 3.9Å; L44-F221 HydrophobicContact CD2-CZ 4.17Å; L44-F221 HydrophobicContact CG-CD1 4.33Å; L44-F221 HydrophobicContact CG-CE1 4.49Å; L44-Y266 HydrophobicContact CD2-CD1 3.85Å; L44-Y266 HydrophobicContact CD2-CE1 4.48Å; L44-F267 HydrophobicContact CB-CZ 4.2Å; L44-F267 HydrophobicContact CD2-CE2 4.47Å; L44-F267 HydrophobicContact CD2-CZ 4.29Å
45D93.9Very high92.4Very high30 Ų3044.2 Ų44.216%0.1623%0.233CC..Hα-helixtrans-66-36.5173.7-165.940.9000111.4L41 T49 L186L41-D45 WeakPolarHBondContact O-CB 3.4Å; L41-D45 PolarHBondContact O-N 2.63Å; D45-T49 VanDerWaalsContact O-CB 3.3Å; D45-T49 WeakPolarHBondContact O-CB 3.4Å; D45-T49 PolarHBondContact O-N 2.67Å; D45-T49 PolarHBondContact O-OG1 2.68Å; D45-L186 HydrophobicContact CB-CD2 4.47Å
46A95.1Very high92.6Very high6 Ų642 Ų425%0.0522%0.215CC..Hα-helixtrans-67.2-42.7171.800000112.6I33 L34 Q42 R43 L44 T49 L50I33-A46 HydrophobicContact CB-CB 4.01Å; I33-A46 HydrophobicContact CG2-CB 3.72Å; L34-A46 HydrophobicContact CB-CB 4.2Å; L34-A46 HydrophobicContact CD1-CB 4.46Å; Q42-A46 WeakPolarHBondContact O-CB 3.32Å; Q42-A46 PolarHBondContact O-N 3.3Å; R43-A46 PolarHBondContact O-N 2.85Å; L44-A46 VanDerWaalsContact C-N 3.33Å; L44-A46 PolarHBondContact O-N 3.31Å; A46-T49 PolarHBondContact O-N 2.72Å; A46-L50 WeakPolarHBondContact O-CB 3.43Å; A46-L50 PolarHBondContact O-N 2.97Å
47A94.5Very high92.6Very high5 Ų535.8 Ų35.84%0.04118%0.183CC..Hα-helixtrans-64.8-42.7176.600000112.1L34 R43 L44 L50 L51 Y266 F267L34-A47 HydrophobicContact CD1-CB 4.09Å; L34-A47 HydrophobicContact CD2-CB 4.47Å; R43-A47 WeakPolarHBondContact O-CB 3.28Å; R43-A47 PolarHBondContact O-N 2.91Å; L44-A47 PolarHBondContact O-N 3.35Å; A47-L50 WeakPolarHBondContact O-CB 3.49Å; A47-L50 PolarHBondContact O-N 2.95Å; A47-L51 PolarHBondContact O-N 2.69Å; A47-Y266 HydrophobicContact CB-CD1 3.98Å; A47-Y266 HydrophobicContact CB-CD2 3.96Å; A47-Y266 HydrophobicContact CB-CG 3.62Å; A47-F267 HydrophobicContact CB-CD2 4.44Å; A47-F267 HydrophobicContact CB-CE2 4.02Å
48K94.8Very high92.8Very high9 Ų938.2 Ų38.24%0.03919%0.194CC..Hα-helixtrans-57.8-50.3170.8168.9176.4-178.9-83.90111.1L44 L50 L51 V52 F172 D183 T184 L186 F267L44-K48 VanDerWaalsContact O-CB 3.3Å; L44-K48 WeakPolarHBondContact O-CB 3.36Å; L44-K48 PolarHBondContact O-N 3.15Å; K48-L50 VanDerWaalsContact C-N 3.27Å; K48-L50 PolarHBondContact O-N 3.26Å; K48-L51 PolarHBondContact O-N 3.46Å; K48-V52 HydrophobicContact CG-CG2 4.36Å; K48-V52 WeakPolarHBondContact O-CG2 3.48Å; K48-V52 PolarHBondContact O-N 2.9Å; K48-F172 HydrophobicContact CB-CD1 4.23Å; K48-F172 HydrophobicContact CB-CE1 3.95Å; K48-F172 HydrophobicContact CB-CZ 4.28Å; K48-F172 HydrophobicContact CD-CB 3.9Å; K48-F172 HydrophobicContact CD-CD1 3.7Å; K48-F172 HydrophobicContact CD-CD2 3.92Å; K48-F172 HydrophobicContact CD-CE1 4.18Å; K48-F172 HydrophobicContact CD-CE2 4.39Å; K48-F172 HydrophobicContact CD-CG 3.56Å; K48-F172 VanDerWaalsContact CE-CB 3.46Å; K48-F172 VanDerWaalsContact CE-CD2 3.47Å; K48-F172 HydrophobicContact CG-CD1 3.85Å; K48-F172 HydrophobicContact CG-CD2 3.97Å; K48-F172 HydrophobicContact CG-CE1 3.79Å; K48-F172 HydrophobicContact CG-CE2 3.91Å; K48-F172 HydrophobicContact CG-CG 3.94Å; K48-F172 HydrophobicContact CG-CZ 3.83Å; K48-D183 IonicContact NZ-OD2 3.1Å; K48-D183 PolarHBondContact NZ-OD2 2.87Å; K48-T184 WeakPolarHBondContact CE-O 3.47Å; K48-T184 PolarHBondContact NZ-O 3.06Å; K48-L186 HydrophobicContact CD-CB 3.92Å; K48-L186 HydrophobicContact CD-CD1 4.24Å; K48-F267 HydrophobicContact CB-CE2 3.97Å; K48-F267 HydrophobicContact CB-CZ 4.28Å
49T95.9Very high92.9Very high42 Ų4230.4 Ų30.426%0.25816%0.159SC..Hα-helixtrans-59.7-39.4178.8-60.90000111.4I26 A30 D45 A46 S53I26-T49 HydrophobicContact CG2-CG2 3.6Å; A30-T49 HydrophobicContact CB-CG2 3.93Å; D45-T49 VanDerWaalsContact O-CB 3.3Å; D45-T49 WeakPolarHBondContact O-CB 3.4Å; D45-T49 PolarHBondContact O-N 2.67Å; D45-T49 PolarHBondContact O-OG1 2.68Å; A46-T49 PolarHBondContact O-N 2.72Å; T49-S53 WeakPolarHBondContact O-CB 3.3Å; T49-S53 PolarHBondContact O-N 2.97Å; T49-S53 PolarHBondContact O-OG 2.87Å
50L95Very high93.1Very high21 Ų2127.9 Ų27.911%0.1115%0.146CC..Hα-helixtrans-62.4-47.7174.8174.154.5000111.9R27 A30 C31 L34 A46 A47 K48 S53 H54R27-L50 HydrophobicContact CG-CD1 3.46Å; R27-L50 VanDerWaalsContact CG-CD1 3.46Å; A30-L50 HydrophobicContact CB-CB 3.98Å; C31-L50 WeakPolarHBondContact SG-CD1 3.38Å; L34-L50 HydrophobicContact CD2-CD2 3.97Å; A46-L50 WeakPolarHBondContact O-CB 3.43Å; A46-L50 PolarHBondContact O-N 2.97Å; A47-L50 WeakPolarHBondContact O-CB 3.49Å; A47-L50 PolarHBondContact O-N 2.95Å; K48-L50 VanDerWaalsContact C-N 3.27Å; K48-L50 PolarHBondContact O-N 3.26Å; L50-S53 PolarHBondContact O-OG 2.77Å; L50-H54 WeakPolarHBondContact O-CB 3.09Å; L50-H54 PolarHBondContact O-N 2.9Å
51L94.3Very high93.2Very high34 Ų3429 Ų2918%0.17815%0.151CC..Hα-helixtrans-60.8-54.2178.1-172.7161.6000111.3A47 K48 H54 A55 F172 Y219 F267A47-L51 PolarHBondContact O-N 2.69Å; K48-L51 PolarHBondContact O-N 3.46Å; L51-H54 PolarHBondContact O-N 3.44Å; L51-A55 PolarHBondContact O-N 3.08Å; L51-F172 HydrophobicContact CD1-CZ 4.3Å; L51-F172 HydrophobicContact CD2-CZ 4.2Å; L51-Y219 HydrophobicContact CD1-CD1 3.99Å; L51-Y219 HydrophobicContact CD1-CE1 4.09Å; L51-Y219 HydrophobicContact CD2-CE1 4.39Å; L51-Y219 HydrophobicContact CD2-CE2 4.42Å; L51-F267 HydrophobicContact CD1-CB 3.98Å
52V93.7Very high93.2Very high4 Ų431.9 Ų31.92%0.02416%0.157CC..Hα-helixtrans-64-46.8-176.9176.70000111.5K48 H54 A55 Q56 F172 T174 D183K48-V52 HydrophobicContact CG-CG2 4.36Å; K48-V52 WeakPolarHBondContact O-CG2 3.48Å; K48-V52 PolarHBondContact O-N 2.9Å; V52-H54 VanDerWaalsContact C-N 3.27Å; V52-H54 PolarHBondContact O-N 3.11Å; V52-A55 PolarHBondContact O-N 3.07Å; V52-Q56 HydrophobicContact CG1-CG 4.43Å; V52-Q56 WeakPolarHBondContact O-CB 3.28Å; V52-Q56 WeakPolarHBondContact O-CG 3.45Å; V52-Q56 PolarHBondContact O-N 2.71Å; V52-F172 HydrophobicContact CG2-CD2 4.48Å; V52-F172 HydrophobicContact CG2-CE2 3.66Å; V52-F172 HydrophobicContact CG2-CZ 4.28Å; V52-T174 HydrophobicContact CG2-CG2 3.92Å; V52-D183 HydrophobicContact CG1-CB 3.98Å; V52-D183 HydrophobicContact CG2-CB 3.89Å
53S94.2Very high93Very high1 Ų130.4 Ų30.41%0.00715%0.152CC..Hα-helixtrans-67-28.3178.863.80000112.8R27 T49 L50 L57R27-S53 WeakPolarHBondContact CA-OG 3.42Å; R27-S53 WeakPolarHBondContact CB-OG 3.36Å; T49-S53 WeakPolarHBondContact O-CB 3.3Å; T49-S53 PolarHBondContact O-N 2.97Å; T49-S53 PolarHBondContact O-OG 2.87Å; L50-S53 PolarHBondContact O-OG 2.77Å; S53-L57 WeakPolarHBondContact O-CB 3.41Å; S53-L57 PolarHBondContact O-N 2.96Å
54H93.5Very high92.9Very high63 Ų6326.5 Ų26.529%0.29214%0.137SC..Hα-helixtrans-68.6-45.6171.9-174.650.3000111.9L50 L51 V52 L57 L58L50-H54 WeakPolarHBondContact O-CB 3.09Å; L50-H54 PolarHBondContact O-N 2.9Å; L51-H54 PolarHBondContact O-N 3.44Å; V52-H54 VanDerWaalsContact C-N 3.27Å; V52-H54 PolarHBondContact O-N 3.11Å; H54-L57 PolarHBondContact O-N 2.72Å; H54-L58 WeakPolarHBondContact O-CG 3.36Å; H54-L58 PolarHBondContact O-N 2.85Å
55A92.8Very high92.7Very high32 Ų3231.9 Ų31.926%0.26416%0.162SC..Hα-helixtrans-61.4-44.8175.900000112.1L51 V52 L58 S59 I181L51-A55 PolarHBondContact O-N 3.08Å; V52-A55 PolarHBondContact O-N 3.07Å; A55-L58 PolarHBondContact O-N 3.04Å; A55-S59 PolarHBondContact O-N 2.72Å; A55-I181 HydrophobicContact CB-CD1 4.05Å
56Q94.7Very high92.4Very high24 Ų2437.8 Ų37.811%0.11218%0.182CC..Hα-helixtrans-58-48.3173.8-75166.5-21.700111.9F23 V52 L58 S59 C60 I181F23-Q56 HydrophobicContact CD1-CB 3.81Å; F23-Q56 HydrophobicContact CD1-CG 4.39Å; F23-Q56 HydrophobicContact CD2-CB 3.81Å; F23-Q56 HydrophobicContact CE1-CB 3.89Å; F23-Q56 VanDerWaalsContact CE1-CD 3.42Å; F23-Q56 HydrophobicContact CE1-CG 4.06Å; F23-Q56 HydrophobicContact CE2-CB 3.87Å; F23-Q56 HydrophobicContact CG-CB 3.79Å; F23-Q56 HydrophobicContact CZ-CB 3.93Å; F23-Q56 HydrophobicContact CZ-CG 4.13Å; V52-Q56 HydrophobicContact CG1-CG 4.43Å; V52-Q56 WeakPolarHBondContact O-CB 3.28Å; V52-Q56 WeakPolarHBondContact O-CG 3.45Å; V52-Q56 PolarHBondContact O-N 2.71Å; Q56-L58 VanDerWaalsContact C-N 3.34Å; Q56-L58 PolarHBondContact O-N 2.88Å; Q56-S59 WeakPolarHBondContact O-CA 3.4Å; Q56-S59 VanDerWaalsContact O-CB 3.32Å; Q56-S59 WeakPolarHBondContact O-CB 3.45Å; Q56-S59 PolarHBondContact O-N 2.75Å; Q56-S59 VanDerWaalsContact O-N 3.08Å; Q56-C60 PolarHBondContact O-N 2.84Å; Q56-C60 PolarHBondContact O-SG 2.84Å; Q56-I181 HydrophobicContact CG-CB 3.88Å; Q56-I181 HydrophobicContact CG-CG2 4.24Å; Q56-I181 PolarHBondContact NE2-O 3.42Å
57L91.7Very high92Very high0 Ų039.3 Ų39.30%019%0.188CC..Hα-helixtrans-60.3-40.5177.7-179.860.2000112.4M1 L20 F23 Y24 S53 H54 C60 M61M1-L57 HydrophobicContact CE-CD2 3.82Å; M1-L57 HydrophobicContact CE-CG 4.19Å; M1-L57 HydrophobicContact SD-CD2 3.81Å; M1-L57 HydrophobicContact SD-CG 4.41Å; L20-L57 HydrophobicContact CD2-CD1 3.56Å; L20-L57 HydrophobicContact CG-CD1 4.11Å; F23-L57 HydrophobicContact CB-CB 4.05Å; F23-L57 HydrophobicContact CB-CD1 4.47Å; Y24-L57 HydrophobicContact CD2-CD2 4.22Å; S53-L57 WeakPolarHBondContact O-CB 3.41Å; S53-L57 PolarHBondContact O-N 2.96Å; H54-L57 PolarHBondContact O-N 2.72Å; L57-C60 PolarHBondContact O-N 3.47Å; L57-M61 WeakPolarHBondContact O-CB 3.37Å; L57-M61 VanDerWaalsContact O-CG 3.28Å; L57-M61 WeakPolarHBondContact O-CG 3.39Å; L57-M61 PolarHBondContact O-N 3.18Å
58L92.2Very high91.6Very high62 Ų6244 Ų4433%0.32521%0.208SC..Hα-helixtrans-66.5-35.4173.8-69.6176.7000112.3H54 A55 Q56 R62H54-L58 WeakPolarHBondContact O-CG 3.36Å; H54-L58 PolarHBondContact O-N 2.85Å; A55-L58 PolarHBondContact O-N 3.04Å; Q56-L58 VanDerWaalsContact C-N 3.34Å; Q56-L58 PolarHBondContact O-N 2.88Å; L58-R62 WeakPolarHBondContact O-CG 3.35Å; L58-R62 PolarHBondContact O-N 3.48Å; L58-R62 VanDerWaalsContact O-N 3.11Å
59S90.2Very high91.3Very high10 Ų1047.2 Ų47.27%0.0723%0.228CC..Hα-helixtrans-62.2-50.1173.2-166.30000111.4A55 Q56 M61 R62 L63 H179A55-S59 PolarHBondContact O-N 2.72Å; Q56-S59 WeakPolarHBondContact O-CA 3.4Å; Q56-S59 VanDerWaalsContact O-CB 3.32Å; Q56-S59 WeakPolarHBondContact O-CB 3.45Å; Q56-S59 PolarHBondContact O-N 2.75Å; Q56-S59 VanDerWaalsContact O-N 3.08Å; S59-M61 PolarHBondContact O-N 3.47Å; S59-R62 PolarHBondContact O-N 3.44Å; S59-L63 PolarHBondContact O-N 3.23Å; S59-L63 VanDerWaalsContact O-N 3.14Å; S59-H179 WeakPolarHBondContact OG-CA 3.43Å; S59-H179 PolarHBondContact OG-O 3.25Å
60C91.4Very high90.6Very high11 Ų1149 Ų497%0.07423%0.234CC..Hα-helixtrans-59.5-44.1176-65.60000112.4L16 L20 Q56 L57 R62 L63 V64L16-C60 HydrophobicContact CD1-CB 3.83Å; L20-C60 HydrophobicContact CB-CB 4.2Å; L20-C60 HydrophobicContact CD1-CB 4.27Å; L20-C60 HydrophobicContact CG-CB 3.91Å; Q56-C60 PolarHBondContact O-N 2.84Å; Q56-C60 PolarHBondContact O-SG 2.84Å; L57-C60 PolarHBondContact O-N 3.47Å; C60-R62 VanDerWaalsContact C-N 3.3Å; C60-R62 PolarHBondContact O-N 2.79Å; C60-L63 WeakPolarHBondContact O-CB 3.19Å; C60-L63 PolarHBondContact O-N 2.85Å; C60-L63 VanDerWaalsContact O-N 3.14Å; C60-V64 WeakPolarHBondContact O-CG2 3.28Å; C60-V64 PolarHBondContact O-N 3.24Å
61M90.4Very high90Very high38 Ų3850.7 Ų50.719%0.18724%0.243CC..Hα-helixtrans-60.1-37.4177-76.7-65.2-55.900112.8L4 L20 L57 S59 V64 Q65L4-M61 HydrophobicContact CD1-CE 4.16Å; L20-M61 HydrophobicContact CD1-SD 3.91Å; L20-M61 HydrophobicContact CD2-CG 4.47Å; L20-M61 HydrophobicContact CD2-SD 3.92Å; L20-M61 HydrophobicContact CG-SD 4.34Å; L57-M61 WeakPolarHBondContact O-CB 3.37Å; L57-M61 VanDerWaalsContact O-CG 3.28Å; L57-M61 WeakPolarHBondContact O-CG 3.39Å; L57-M61 PolarHBondContact O-N 3.18Å; S59-M61 PolarHBondContact O-N 3.47Å; M61-V64 PolarHBondContact O-N 3.12Å; M61-Q65 WeakPolarHBondContact O-CG 3.17Å; M61-Q65 PolarHBondContact O-N 3.19Å; M61-Q65 VanDerWaalsContact O-N 3.07Å
62R91.2Very high89.5Confident121 Ų12151.5 Ų51.546%0.45725%0.254SS..Hα-helixtrans-67.4-36.8174.7-71173.4-173.2118.7-9.3112.3L58 S59 C60 Q65 R66L58-R62 WeakPolarHBondContact O-CG 3.35Å; L58-R62 PolarHBondContact O-N 3.48Å; L58-R62 VanDerWaalsContact O-N 3.11Å; S59-R62 PolarHBondContact O-N 3.44Å; C60-R62 VanDerWaalsContact C-N 3.3Å; C60-R62 PolarHBondContact O-N 2.79Å; R62-Q65 PolarHBondContact O-N 3.19Å; R62-R66 WeakPolarHBondContact O-CG 3.21Å; R62-R66 PolarHBondContact O-N 2.95Å; R62-R66 VanDerWaalsContact O-N 3.07Å
63L89.5Confident88.9Confident36 Ų3656.7 Ų56.719%0.18828%0.276CS..Hα-helixtrans-62.3-47.7173.9-69.1173.1000111.5L16 S59 C60 Q65 R66 E67 H179L16-L63 HydrophobicContact CD1-CB 4.09Å; L16-L63 HydrophobicContact CD1-CD1 3.76Å; L16-L63 HydrophobicContact CD2-CB 3.66Å; L16-L63 HydrophobicContact CD2-CD1 4.41Å; S59-L63 PolarHBondContact O-N 3.23Å; S59-L63 VanDerWaalsContact O-N 3.14Å; C60-L63 WeakPolarHBondContact O-CB 3.19Å; C60-L63 PolarHBondContact O-N 2.85Å; C60-L63 VanDerWaalsContact O-N 3.14Å; L63-Q65 PolarHBondContact O-N 3.28Å; L63-R66 WeakPolarHBondContact O-CB 3.05Å; L63-R66 PolarHBondContact O-N 3.21Å; L63-E67 PolarHBondContact O-N 3.37Å; L63-H179 HydrophobicContact CD1-CB 3.87Å; L63-H179 HydrophobicContact CD2-CB 4.07Å; L63-H179 HydrophobicContact CG-CB 4.19Å
64V88.3Confident87.9Confident3 Ų362.3 Ų62.32%0.01830%0.302CS..Hα-helixtrans-59.2-35.7176.2171.40000112.1I10 L16 L20 C60 M61 K68I10-V64 HydrophobicContact CG2-CG1 3.81Å; L16-V64 HydrophobicContact CD2-CG2 3.75Å; L16-V64 HydrophobicContact CG-CG2 4Å; L20-V64 HydrophobicContact CD1-CG2 3.61Å; C60-V64 WeakPolarHBondContact O-CG2 3.28Å; C60-V64 PolarHBondContact O-N 3.24Å; M61-V64 PolarHBondContact O-N 3.12Å; V64-K68 HydrophobicContact CG1-CD 4.29Å; V64-K68 WeakPolarHBondContact O-CG 3.24Å; V64-K68 PolarHBondContact O-N 3.21Å
65Q88.8Confident87Confident118 Ų11862.6 Ų62.655%0.55132%0.315SS*.Hα-helixtrans-66.8-42.3173.9-75172.2-24.300112.1M61 R62 L63 K68 V69M61-Q65 WeakPolarHBondContact O-CG 3.17Å; M61-Q65 PolarHBondContact O-N 3.19Å; M61-Q65 VanDerWaalsContact O-N 3.07Å; R62-Q65 PolarHBondContact O-N 3.19Å; L63-Q65 PolarHBondContact O-N 3.28Å; Q65-K68 PolarHBondContact O-N 2.92Å; Q65-V69 WeakPolarHBondContact O-CG2 3.42Å; Q65-V69 PolarHBondContact O-N 3.45Å; Q65-V69 VanDerWaalsContact O-N 3.1Å
66R87.7Confident85.5Confident153 Ų15367.8 Ų67.858%0.57734%0.339SS*.Hα-helixtrans-63.4-45.7175.4-67177.7-158.3150.93.3111.7R62 L63 K68 V69 E70R62-R66 WeakPolarHBondContact O-CG 3.21Å; R62-R66 PolarHBondContact O-N 2.95Å; R62-R66 VanDerWaalsContact O-N 3.07Å; L63-R66 WeakPolarHBondContact O-CB 3.05Å; L63-R66 PolarHBondContact O-N 3.21Å; R66-K68 VanDerWaalsContact C-N 3.29Å; R66-K68 PolarHBondContact O-N 3.42Å; R66-V69 WeakPolarHBondContact O-CB 3.47Å; R66-V69 PolarHBondContact O-N 3.06Å; R66-E70 PolarHBondContact O-N 3.08Å
67E86.3Confident83.6Confident38 Ų3873 Ų7318%0.17836%0.361CS..Hα-helixtrans-52.8-47.5176.3-174.7-171173.700111.4S11 K12 L63 V69 E70 D71S11-E67 WeakPolarHBondContact CA-OE2 3.22Å; S11-E67 VanDerWaalsContact CB-OE2 3.27Å; S11-E67 WeakPolarHBondContact CB-OE2 3.23Å; S11-E67 PolarHBondContact OG-OE1 3.34Å; S11-E67 PolarHBondContact OG-OE2 3.46Å; K12-E67 WeakPolarHBondContact CA-OE1 3.47Å; K12-E67 WeakPolarHBondContact CB-OE1 3.36Å; K12-E67 WeakPolarHBondContact CG-OE1 3.35Å; K12-E67 PolarHBondContact N-OE1 3.24Å; L63-E67 PolarHBondContact O-N 3.37Å; E67-V69 VanDerWaalsContact C-N 3.34Å; E67-V69 PolarHBondContact O-N 2.91Å; E67-E70 PolarHBondContact O-N 2.73Å; E67-D71 WeakPolarHBondContact O-CB 3.45Å; E67-D71 PolarHBondContact O-N 2.92Å
68K86.5Confident81Confident104 Ų10478.3 Ų78.345%0.45239%0.393SS..Hα-helixtrans-66.1-32.4177.7-71.4174.4-177-177.50113.7I10 V64 Q65 R66 A72I10-K68 WeakPolarHBondContact O-CE 3.37Å; I10-K68 PolarHBondContact O-NZ 3.42Å; I10-K68 VanDerWaalsContact O-NZ 3.17Å; V64-K68 HydrophobicContact CG1-CD 4.29Å; V64-K68 WeakPolarHBondContact O-CG 3.24Å; V64-K68 PolarHBondContact O-N 3.21Å; Q65-K68 PolarHBondContact O-N 2.92Å; R66-K68 VanDerWaalsContact C-N 3.29Å; R66-K68 PolarHBondContact O-N 3.42Å; K68-A72 WeakPolarHBondContact O-CB 3.38Å; K68-A72 PolarHBondContact O-N 3.03Å; K68-A72 VanDerWaalsContact O-N 3.07Å
69V88.1Confident78.4Confident77 Ų7783.2 Ų83.247%0.46742%0.419SS..Hα-helixtrans-70.9-41.4173.8168.70000110.9Q65 R66 E67 A72 K73Q65-V69 WeakPolarHBondContact O-CG2 3.42Å; Q65-V69 PolarHBondContact O-N 3.45Å; Q65-V69 VanDerWaalsContact O-N 3.1Å; R66-V69 WeakPolarHBondContact O-CB 3.47Å; R66-V69 PolarHBondContact O-N 3.06Å; E67-V69 VanDerWaalsContact C-N 3.34Å; E67-V69 PolarHBondContact O-N 2.91Å; V69-A72 PolarHBondContact O-N 2.84Å; V69-K73 WeakPolarHBondContact O-CG 3.38Å; V69-K73 PolarHBondContact O-N 2.79Å
70E82.7Confident75.8Confident80 Ų8087 Ų8737%0.37445%0.446SS..Hα-helixtrans-66.9-41.5175-64.2-47.1128.100111.8R66 E67 A72 K73 H74R66-E70 PolarHBondContact O-N 3.08Å; E67-E70 PolarHBondContact O-N 2.73Å; E70-A72 VanDerWaalsContact C-N 3.33Å; E70-A72 PolarHBondContact O-N 2.9Å; E70-K73 WeakPolarHBondContact O-CB 3.46Å; E70-K73 PolarHBondContact O-N 3.28Å; E70-K73 VanDerWaalsContact O-N 3.15Å; E70-K73 IonicContact OE1-NZ 3.5Å; E70-K73 PolarHBondContact OE1-NZ 2.94Å; E70-K73 WeakPolarHBondContact OE2-CD 3.29Å; E70-K73 IonicContact OE2-NZ 2.9Å; E70-K73 PolarHBondContact OE2-NZ 2.77Å; E70-H74 PolarHBondContact O-N 3.18Å; E70-H74 PolarHBondContact O-ND1 2.9Å
71D82.3Confident73.1Confident56 Ų5691 Ų9130%0.29947%0.466SS..Hα-helixtrans-57.9-44173-82.6-14.8000112.1K12 E67 K73 H74 A75K12-D71 WeakPolarHBondContact CE-OD2 3.43Å; K12-D71 IonicContact NZ-OD1 3.78Å; K12-D71 PolarHBondContact NZ-OD1 3.35Å; K12-D71 IonicContact NZ-OD2 3.58Å; K12-D71 PolarHBondContact NZ-OD2 3.06Å; E67-D71 WeakPolarHBondContact O-CB 3.45Å; E67-D71 PolarHBondContact O-N 2.92Å; D71-K73 VanDerWaalsContact C-N 3.33Å; D71-K73 PolarHBondContact O-N 2.82Å; D71-H74 PolarHBondContact O-N 2.75Å; D71-A75 WeakPolarHBondContact O-CB 3.49Å; D71-A75 PolarHBondContact O-N 2.96Å
72A82.3Confident70.4Confident50 Ų5094.1 Ų94.141%0.41349%0.487SS..Hα-helixtrans-64-36.8175.900000112.4K68 V69 E70 N76K68-A72 WeakPolarHBondContact O-CB 3.38Å; K68-A72 PolarHBondContact O-N 3.03Å; K68-A72 VanDerWaalsContact O-N 3.07Å; V69-A72 PolarHBondContact O-N 2.84Å; E70-A72 VanDerWaalsContact C-N 3.33Å; E70-A72 PolarHBondContact O-N 2.9Å; A72-N76 WeakPolarHBondContact O-CB 3.27Å; A72-N76 VanDerWaalsContact O-CG 3.27Å; A72-N76 PolarHBondContact O-N 3.45Å; A72-N76 VanDerWaalsContact O-N 3.13Å; A72-N76 PolarHBondContact O-ND2 2.64Å
73K81.4Confident67.8Low114 Ų11495.9 Ų95.950%0.49651%0.505SS..Hα-helixtrans-65.3-42.2173-70.5168.1-178.2174.10112.1V69 E70 D71 N76 K77V69-K73 WeakPolarHBondContact O-CG 3.38Å; V69-K73 PolarHBondContact O-N 2.79Å; E70-K73 WeakPolarHBondContact O-CB 3.46Å; E70-K73 PolarHBondContact O-N 3.28Å; E70-K73 VanDerWaalsContact O-N 3.15Å; E70-K73 IonicContact OE1-NZ 3.5Å; E70-K73 PolarHBondContact OE1-NZ 2.94Å; E70-K73 WeakPolarHBondContact OE2-CD 3.29Å; E70-K73 IonicContact OE2-NZ 2.9Å; E70-K73 PolarHBondContact OE2-NZ 2.77Å; D71-K73 VanDerWaalsContact C-N 3.33Å; D71-K73 PolarHBondContact O-N 2.82Å; K73-N76 PolarHBondContact O-N 3Å; K73-K77 PolarHBondContact O-N 3.1Å
74H74.8Confident65.3Low118 Ų118102 Ų10255%0.54654%0.537SS..Hα-helixtrans-69.1-39.9178.9-72.773.9000111.4E70 D71 N76 K77E70-H74 PolarHBondContact O-N 3.18Å; E70-H74 PolarHBondContact O-ND1 2.9Å; D71-H74 PolarHBondContact O-N 2.75Å; H74-N76 VanDerWaalsContact C-N 3.3Å; H74-N76 PolarHBondContact O-N 2.72Å; H74-K77 PolarHBondContact O-N 3.12Å
75A73.1Confident62.5Low69 Ų69109.4 Ų109.457%0.5757%0.569SS**Hα-helixtrans-61.2-37.3174.400000112.7D71 K77D71-A75 WeakPolarHBondContact O-CB 3.49Å; D71-A75 PolarHBondContact O-N 2.96Å; A75-K77 PolarHBondContact O-N 2.84Å
76N62.8Low59.6Low141 Ų141110 Ų11075%0.75457%0.572SS**THydrogen-bonded Turntrans-74.3-11.1175.9-71-15.2000113.7A72 K73 H74 T78A72-N76 WeakPolarHBondContact O-CB 3.27Å; A72-N76 VanDerWaalsContact O-CG 3.27Å; A72-N76 PolarHBondContact O-N 3.45Å; A72-N76 VanDerWaalsContact O-N 3.13Å; A72-N76 PolarHBondContact O-ND2 2.64Å; K73-N76 PolarHBondContact O-N 3Å; H74-N76 VanDerWaalsContact C-N 3.3Å; H74-N76 PolarHBondContact O-N 2.72Å; N76-T78 VanDerWaalsContact C-N 3.35Å; N76-T78 PolarHBondContact O-N 2.66Å
77K53.5Low56.8Low134 Ų134107.8 Ų107.858%0.58359%0.587SS**  trans-9561.6178.1-142.7-176-172.5-167.70111.1K73 H74 A75 D81K73-K77 PolarHBondContact O-N 3.1Å; H74-K77 PolarHBondContact O-N 3.12Å; A75-K77 PolarHBondContact O-N 2.84Å; K77-D81 IonicContact NZ-OD2 3.97Å; K77-D81 PolarHBondContact NZ-OD2 3.36Å
78T37.4Very low54.1Low111 Ų111111 Ų11168%0.68161%0.613SS**  trans-72.3134.7172.5-52.30000109.8N76N76-T78 VanDerWaalsContact C-N 3.35Å; N76-T78 PolarHBondContact O-N 2.66Å
79L37.3Very low51.4Low166 Ų166112.6 Ų112.687%0.86963%0.625SS**SBendtrans6380.1173.6-76.2151.9000117.4
80S36.2Very low48.6Very low89 Ų89117.7 Ų117.762%0.62264%0.641SS**SBendtrans-175.5-31.5137.160.80000116.2
81D35.2Very low45.9Very low94 Ų94119.2 Ų119.250%0.50365%0.652SS.*  trans-101.86.4-157.9-72.93.4000116.8K77 L83K77-D81 IonicContact NZ-OD2 3.97Å; K77-D81 PolarHBondContact NZ-OD2 3.36Å; D81-L83 VanDerWaalsContact C-N 3.27Å; D81-L83 PolarHBondContact O-N 2.67Å
82T33.7Very low43.2Very low104 Ų104120.9 Ų120.964%0.63868%0.683SS**G310 helixtrans-65.4-26.6-170.3-39.40000113.8L84T82-L84 PolarHBondContact O-N 2.83Å
83L35.4Very low40.5Very low159 Ų159124.1 Ų124.183%0.83270%0.698SS**G310 helixtrans-77.3-4.4-170.2-90.6167.3000116.7D81D81-L83 VanDerWaalsContact C-N 3.27Å; D81-L83 PolarHBondContact O-N 2.67Å
84L36.9Very low37.9Very low163 Ų163126 Ų12685%0.85371%0.712SS**G310 helixtrans-116.25.7-175.9-68.2178.2000115.4T82T82-L84 PolarHBondContact O-N 2.83Å
85K29.6Very low36Very low159 Ų159128.7 Ų128.769%0.69173%0.729SS**THydrogen-bonded Turntrans-114-13.5177.4-97.4178.5174.8176.30115.5A87 S88K85-A87 PolarHBondContact O-N 3.01Å; K85-S88 PolarHBondContact O-OG 3.44Å
86E27.7Very low34.2Very low130 Ų130134.4 Ų134.461%0.60774%0.736SS**G310 helixtrans-81.7-9.8-176.3-70.4-177.1139.400114.5S88 I89E86-S88 PolarHBondContact O-N 2.64Å; E86-I89 PolarHBondContact O-N 2.9Å; E86-I89 VanDerWaalsContact O-N 3.11Å
87A29.5Very low33.4Very low108 Ų108136.8 Ų136.889%0.89374%0.739SS**G310 helixtrans-65.69.7174.900000115.3K85K85-A87 PolarHBondContact O-N 3.01Å
88S29.3Very low33.4Very low105 Ų105133.7 Ų133.773%0.73474%0.735SS**G310 helixtrans-114.61.1174.861.90000114.1K85 E86K85-S88 PolarHBondContact O-OG 3.44Å; E86-S88 PolarHBondContact O-N 2.64Å
89I30.1Very low34.9Very low137 Ų137132.6 Ų132.670%0.70373%0.73SS**  trans-108.964.2174.6-47.5179000109.5E86E86-I89 PolarHBondContact O-N 2.9Å; E86-I89 VanDerWaalsContact O-N 3.11Å
90F28.6Very low37Very low184 Ų184128.6 Ų128.681%0.80771%0.706SS**  trans-102.1112.6161.5-130.4-101.5000109.5
91N25.8Very low39.3Very low112 Ų112124.7 Ų124.760%0.59968%0.68SS**  trans63.773.9164.4-58.8-14.5000118.2T93N91-T93 PolarHBondContact O-N 3.22Å; N91-T93 PolarHBondContact O-OG1 2.99Å
92G25.6Very low41.6Very low92 Ų92124.4 Ų124.495%0.94867%0.674SS**  53.68.8108.900000120.6
93T25.9Very low43.9Very low117 Ų117122.7 Ų122.772%0.71866%0.664SS**  trans-126130.9-172.952.10000110.4N91 L95N91-T93 PolarHBondContact O-N 3.22Å; N91-T93 PolarHBondContact O-OG1 2.99Å; T93-L95 PolarHBondContact O-N 2.83Å
94I28.3Very low46.4Very low155 Ų155116.4 Ų116.480%0.79564%0.638SS**  trans-5.5116.7172.6-57.1167.8000113.4R96I94-R96 PolarHBondContact O-N 2.77Å
95L34.9Very low49Very low173 Ų173113.1 Ų113.191%0.90662%0.615SS**  trans-46.577.2179.8-150.8113.7000113T93 K97T93-L95 PolarHBondContact O-N 2.83Å; L95-K97 PolarHBondContact O-N 3.22Å
96R33.7Very low52Low190 Ų190105.5 Ų105.572%0.71758%0.582SS**  trans-64.8126.4175.9-77.1-173.4-177.7173.13.7106.1I94 S98I94-R96 PolarHBondContact O-N 2.77Å; R96-S98 PolarHBondContact O-N 2.72Å; R96-S98 VanDerWaalsContact O-N 3.15Å
97K46Very low55.1Low190 Ų190100.5 Ų100.583%0.82656%0.559SS**  trans-51.3124.3173.5-163.4177.4-171.1-178.60107.3L95 C99L95-K97 PolarHBondContact O-N 3.22Å; K97-C99 PolarHBondContact O-N 3.43Å; K97-C99 VanDerWaalsContact O-N 3.08Å
98S53.5Low58.2Low69 Ų6995.4 Ų95.448%0.48352%0.516SS..  trans-42.2118.9-176.8176.80000110.2R96 F100R96-S98 PolarHBondContact O-N 2.72Å; R96-S98 VanDerWaalsContact O-N 3.15Å; S98-F100 WeakPolarHBondContact CB-O 3.22Å; S98-F100 PolarHBondContact O-N 3Å; S98-F100 PolarHBondContact OG-N 3.45Å; S98-F100 PolarHBondContact OG-O 3.42Å
99C69.5Low61.4Low88 Ų8890.5 Ų90.560%0.59548%0.482SS*.SBendtrans-63.5-22.7176.6-61.90000111.1K97K97-C99 PolarHBondContact O-N 3.43Å; K97-C99 VanDerWaalsContact O-N 3.08Å
100F81.7Confident64.5Low82 Ų8284 Ų8436%0.3645%0.449SS..SBendtrans-98.4146.4177.9-59-76.1000112.7S98 P353 S356S98-F100 WeakPolarHBondContact CB-O 3.22Å; S98-F100 PolarHBondContact O-N 3Å; S98-F100 PolarHBondContact OG-N 3.45Å; S98-F100 PolarHBondContact OG-O 3.42Å; F100-P353 CarbonylContact C-O 3.51Å; F100-P353 WeakPolarHBondContact CA-O 3.33Å; F100-P353 WeakPolarHBondContact CB-O 3.48Å; F100-P353 HydrophobicContact CD1-CB 4.1Å; F100-P353 HydrophobicContact CD1-CG 3.93Å; F100-P353 WeakPolarHBondContact CD1-O 3.3Å; F100-P353 HydrophobicContact CE1-CB 4.35Å; F100-P353 HydrophobicContact CE1-CG 4.18Å; F100-S356 WeakPolarHBondContact CE1-OG 3.23Å; F100-S356 WeakPolarHBondContact CZ-OG 3.5Å
101A83.9Confident67.7Low8 Ų875.3 Ų75.37%0.06641%0.411CS..PPolyproline II helixtrans-60.1143.3167.800000111.2P103 H348 L352 P353 L354A101-P103 WeakPolarHBondContact O-CD 3.4Å; A101-H348 VanDerWaalsContact CB-C 3.48Å; A101-H348 HydrophobicContact CB-CB 3.82Å; A101-L352 HydrophobicContact CB-CB 4.02Å; A101-L352 WeakPolarHBondContact CB-O 3.46Å; A101-P353 PolarHBondContact N-O 3.11Å; A101-L354 HydrophobicContact CB-CD2 3.85Å; A101-L354 HydrophobicContact CB-CG 4.23Å
102K84.2Confident70.9Confident88 Ų8871.9 Ų71.938%0.38339%0.393SS..PPolyproline II helixtrans-81.1118165.6-60.1179.7-169.1165.40108.2Y105 D207K102-Y105 HydrophobicContact CB-CD2 3.55Å; K102-Y105 HydrophobicContact CB-CE2 4.29Å; K102-Y105 HydrophobicContact CB-CG 4.06Å; K102-Y105 HydrophobicContact CD-CD2 4.4Å; K102-Y105 PolarHBondContact O-N 3.27Å; K102-D207 WeakPolarHBondContact CD-OD1 3.24Å; K102-D207 WeakPolarHBondContact CE-OD1 3.42Å; K102-D207 IonicContact NZ-OD1 2.72Å; K102-D207 PolarHBondContact NZ-OD1 3.17Å; K102-D207 IonicContact NZ-OD2 2.72Å; K102-D207 PolarHBondContact NZ-OD2 3.04Å
103P82.1Confident74.3Confident67 Ų6767.5 Ų67.544%0.43535%0.348SS..THydrogen-bonded Turntrans-63.6136.1-178.1-14.725.9000111.5A101 Y105 L354 I842A101-P103 WeakPolarHBondContact O-CD 3.4Å; P103-Y105 VanDerWaalsContact C-N 3.28Å; P103-Y105 VanDerWaalsContact O-CD2 3.3Å; P103-Y105 WeakPolarHBondContact O-CD2 3.42Å; P103-Y105 PolarHBondContact O-N 3.05Å; P103-L354 HydrophobicContact CB-CD2 3.92Å; P103-L354 HydrophobicContact CG-CD2 3.77Å; P103-I842 HydrophobicContact CG-CD1 4.04Å
104G86.8Confident77.7Confident28 Ų2866.2 Ų66.229%0.28933%0.329SS..THydrogen-bonded Turntrans81.1-1.2179.100000115.1E849G104-E849 WeakPolarHBondContact CA-OE1 3.43Å; G104-E849 PolarHBondContact N-OE1 3.04Å
105Y92.5Very high80.9Confident93 Ų9358.8 Ų58.837%0.36529%0.292SS..EExtended strand (participates in β ladder)trans-104.7137.9177.6-66.6-94000111.2K102 P103 D207 V208 T209 H348K102-Y105 HydrophobicContact CB-CD2 3.55Å; K102-Y105 HydrophobicContact CB-CE2 4.29Å; K102-Y105 HydrophobicContact CB-CG 4.06Å; K102-Y105 HydrophobicContact CD-CD2 4.4Å; K102-Y105 PolarHBondContact O-N 3.27Å; P103-Y105 VanDerWaalsContact C-N 3.28Å; P103-Y105 VanDerWaalsContact O-CD2 3.3Å; P103-Y105 WeakPolarHBondContact O-CD2 3.42Å; P103-Y105 PolarHBondContact O-N 3.05Å; Y105-D207 HydrophobicContact CD1-CB 4.21Å; Y105-V208 WeakPolarHBondContact CA-O 3.41Å; Y105-T209 HydrophobicContact CD1-CG2 3.98Å; Y105-T209 HydrophobicContact CE1-CG2 3.69Å; Y105-H348 PolarHBondContact O-N 3.06Å; Y105-H348 PolarHBondContact O-ND1 3.37Å
106A92.8Very high83.8Confident0 Ų051.6 Ų51.60%026%0.255CS..EExtended strand (participates in β ladder)trans-124161.5178.200000112.2D207 V208 A345 Q346 W853A106-D207 PolarHBondContact O-N 3.48Å; A106-V208 PolarHBondContact N-O 3.29Å; A106-V208 PolarHBondContact O-N 3.09Å; A106-A345 HydrophobicContact CB-CB 4.39Å; A106-Q346 WeakPolarHBondContact CA-O 3.42Å; A106-W853 HydrophobicContact CB-CD2 4.36Å; A106-W853 HydrophobicContact CB-CH2 3.65Å; A106-W853 HydrophobicContact CB-CZ2 3.43Å; A106-W853 VanDerWaalsContact CB-CZ2 3.43Å; A106-W853 HydrophobicContact CB-CZ3 4.2Å
107Q93.1Very high86.7Confident24 Ų2443.2 Ų43.211%0.11223%0.225CC..EExtended strand (participates in β ladder)trans-90.7122.4161.2-176.5172.453.400108.4F205 D206 A345 Q346 I864Q107-F205 CarbonylContact C-O 3.37Å; Q107-F205 WeakPolarHBondContact CA-O 3.39Å; Q107-D206 WeakPolarHBondContact CG-OD1 3.44Å; Q107-D206 PolarHBondContact NE2-OD1 3.46Å; Q107-A345 CarbonylContact O-C 3.57Å; Q107-A345 WeakPolarHBondContact O-CA 3.49Å; Q107-Q346 PolarHBondContact N-O 3.04Å; Q107-Q346 PolarHBondContact O-N 2.84Å; Q107-I864 HydrophobicContact CB-CD1 4.18Å; Q107-I864 HydrophobicContact CG-CD1 4.03Å; Q107-I864 HydrophobicContact CG-CG2 3.95Å; Q107-I864 WeakPolarHBondContact O-CD1 3.46Å
108L94.7Very high88.8Confident1 Ų137.8 Ų37.81%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-98.4139.9176.3-169.472.5000109.8V177 T204 F205 V208 F212 C214 L343 I344 A345L108-V177 HydrophobicContact CD2-CG1 4.39Å; L108-V177 HydrophobicContact CD2-CG2 4.14Å; L108-T204 CarbonylContact O-C 3.47Å; L108-T204 VanDerWaalsContact O-CA 3.27Å; L108-T204 WeakPolarHBondContact O-CA 3.49Å; L108-F205 HydrophobicContact CB-CB 4.35Å; L108-F205 PolarHBondContact N-O 3.23Å; L108-F205 PolarHBondContact O-N 2.9Å; L108-V208 HydrophobicContact CB-CB 4.33Å; L108-V208 HydrophobicContact CB-CG1 4.38Å; L108-V208 HydrophobicContact CB-CG2 4.01Å; L108-V208 HydrophobicContact CD2-CG1 4.39Å; L108-F212 HydrophobicContact CD1-CE1 4.14Å; L108-F212 HydrophobicContact CD1-CE2 4.04Å; L108-F212 HydrophobicContact CD1-CZ 3.74Å; L108-F212 HydrophobicContact CD2-CD2 3.75Å; L108-F212 HydrophobicContact CD2-CE2 3.68Å; L108-F212 HydrophobicContact CD2-CG 4.39Å; L108-F212 HydrophobicContact CD2-CZ 4.24Å; L108-C214 HydrophobicContact CD2-CB 4.35Å; L108-L343 HydrophobicContact CD1-CD1 3.75Å; L108-L343 HydrophobicContact CD1-CG 4.04Å; L108-L343 HydrophobicContact CD2-CD1 4.09Å; L108-L343 HydrophobicContact CG-CD1 3.84Å; L108-I344 CarbonylContact C-O 3.54Å; L108-I344 WeakPolarHBondContact CA-O 3.36Å; L108-A345 HydrophobicContact CD1-CB 3.98Å
109C95Very high90.2Very high3 Ų337.3 Ų37.32%0.0219%0.192CC..EExtended strand (participates in β ladder)trans-133.1119.5177.8-175.30000110.7W203 T204 L343 I344 I864C109-W203 WeakPolarHBondContact CA-O 3.37Å; C109-T204 HydrophobicContact CB-CG2 4.42Å; C109-L343 WeakPolarHBondContact O-CA 3.39Å; C109-I344 PolarHBondContact N-O 3.33Å; C109-I344 PolarHBondContact O-N 2.9Å; C109-I864 HydrophobicContact CB-CB 4.4Å; C109-I864 HydrophobicContact CB-CD1 3.92Å; C109-I864 HydrophobicContact CB-CG1 3.86Å; C109-I864 HydrophobicContact CB-CG2 3.83Å
110L95.8Very high90.3Very high0 Ų042.9 Ų42.90%020%0.2CC..EExtended strand (participates in β ladder)trans-101.9133.5170.6-17966.9000109.4I113 I175 K202 W203 I216 Y341 L343L110-I113 HydrophobicContact CD1-CG1 4.49Å; L110-I113 HydrophobicContact CD2-CD1 3.72Å; L110-I113 HydrophobicContact CD2-CG1 4.39Å; L110-I113 HydrophobicContact CG-CD1 4.02Å; L110-I113 HydrophobicContact CG-CG1 4.22Å; L110-I175 HydrophobicContact CD2-CB 4.44Å; L110-I175 HydrophobicContact CD2-CD1 3.91Å; L110-I175 HydrophobicContact CD2-CG1 3.92Å; L110-I175 HydrophobicContact CD2-CG2 3.63Å; L110-K202 WeakPolarHBondContact O-CA 3.5Å; L110-W203 HydrophobicContact CG-CE3 4.46Å; L110-W203 PolarHBondContact N-O 3.33Å; L110-W203 PolarHBondContact O-N 2.88Å; L110-I216 HydrophobicContact CD1-CD1 4.22Å; L110-I216 HydrophobicContact CD2-CD1 3.81Å; L110-I216 HydrophobicContact CD2-CG1 4.14Å; L110-Y341 HydrophobicContact CD1-CD2 3.52Å; L110-Y341 HydrophobicContact CD1-CE2 4.28Å; L110-Y341 HydrophobicContact CD1-CG 3.77Å; L110-L343 HydrophobicContact CB-CD1 4.18Å; L110-L343 HydrophobicContact CD1-CD1 4.16Å
111S95Very high88.9Confident2 Ų246.3 Ų46.31%0.01422%0.222CC..EExtended strand (participates in β ladder)trans-153.6173.6177.263.60000113I113 R342S111-I113 VanDerWaalsContact C-N 3.28Å; S111-I113 PolarHBondContact O-N 3.42Å; S111-R342 PolarHBondContact N-O 3.41Å; S111-R342 PolarHBondContact O-N 3.32Å
112D94.1Very high87.3Confident40 Ų4052.1 Ų52.121%0.21425%0.251CS..EExtended strand (participates in β ladder)trans58.239.4171.8-38.6-81.5000112.3R114 V284 R342D112-R114 PolarHBondContact O-N 3.09Å; D112-V284 HydrophobicContact CB-CG2 3.81Å; D112-R342 VanDerWaalsContact CG-NH2 3.33Å; D112-R342 IonicContact OD1-NH2 3.75Å; D112-R342 PolarHBondContact OD1-NH2 3.13Å; D112-R342 IonicContact OD2-CZ 2.74Å; D112-R342 IonicContact OD2-NE 3.16Å; D112-R342 PolarHBondContact OD2-NE 3.1Å; D112-R342 IonicContact OD2-NH2 2.73Å; D112-R342 PolarHBondContact OD2-NH2 2.91Å
113I96.5Very high85.1Confident0 Ų051.4 Ų51.40%026%0.261CS..EExtended strand (participates in β ladder)trans-71.3124.7-178.3-56.1177000108.7L110 S111 I175 F199 W203 I339 C340L110-I113 HydrophobicContact CD1-CG1 4.49Å; L110-I113 HydrophobicContact CD2-CD1 3.72Å; L110-I113 HydrophobicContact CD2-CG1 4.39Å; L110-I113 HydrophobicContact CG-CD1 4.02Å; L110-I113 HydrophobicContact CG-CG1 4.22Å; S111-I113 VanDerWaalsContact C-N 3.28Å; S111-I113 PolarHBondContact O-N 3.42Å; I113-I175 HydrophobicContact CD1-CD1 3.97Å; I113-F199 HydrophobicContact CB-CB 4.28Å; I113-F199 HydrophobicContact CB-CD2 4.11Å; I113-F199 HydrophobicContact CG2-CD2 4.01Å; I113-F199 PolarHBondContact N-O 3.42Å; I113-F199 PolarHBondContact O-N 2.73Å; I113-W203 HydrophobicContact CD1-CE3 4Å; I113-W203 HydrophobicContact CD1-CH2 3.95Å; I113-W203 HydrophobicContact CD1-CZ3 3.4Å; I113-W203 VanDerWaalsContact CD1-CZ3 3.4Å; I113-W203 HydrophobicContact CG1-CZ3 3.93Å; I113-I339 HydrophobicContact CG2-CD1 3.81Å; I113-I339 HydrophobicContact CG2-CG1 4.1Å; I113-C340 CarbonylContact C-O 3.49Å; I113-C340 VanDerWaalsContact CA-O 3.31Å; I113-C340 WeakPolarHBondContact CA-O 3.36Å
114R96.6Very high83.1Confident89 Ų8953 Ų5334%0.33627%0.271SS..EExtended strand (participates in β ladder)trans-134135.2176.4-56.9-173.4-74.6164.20.9110.7D112 I197 E198 C340D112-R114 PolarHBondContact O-N 3.09Å; R114-I197 CarbonylContact C-O 3.47Å; R114-I197 VanDerWaalsContact CA-O 3.25Å; R114-I197 WeakPolarHBondContact CA-O 3.37Å; R114-E198 HydrophobicContact CB-CG 4.49Å; R114-E198 WeakPolarHBondContact CD-OE1 3.44Å; R114-E198 HydrophobicContact CG-CB 4.18Å; R114-E198 HydrophobicContact CG-CG 3.84Å; R114-E198 IonicContact NH1-OE1 2.94Å; R114-C340 HydrophobicContact CB-CB 4.19Å; R114-C340 PolarHBondContact N-O 3.21Å; R114-C340 PolarHBondContact O-N 2.77Å
115I96.8Very high81Confident0 Ų054.2 Ų54.20%028%0.284CS..EExtended strand (participates in β ladder)trans-119.4102.5-179.7-57.8163.2000107.7L171 I197 F199 I218 L335 I339I115-L171 HydrophobicContact CD1-CD2 3.94Å; I115-I197 HydrophobicContact CB-CB 4.32Å; I115-I197 PolarHBondContact N-O 2.76Å; I115-I197 PolarHBondContact O-N 3.34Å; I115-F199 HydrophobicContact CD1-CE2 4.12Å; I115-I218 HydrophobicContact CD1-CD1 3.88Å; I115-I218 HydrophobicContact CD1-CG1 4.17Å; I115-I218 HydrophobicContact CD1-CG2 4.19Å; I115-I218 HydrophobicContact CG1-CD1 4.23Å; I115-I218 HydrophobicContact CG2-CD1 4.44Å; I115-L335 HydrophobicContact CG2-CD2 3.69Å; I115-I339 HydrophobicContact CG1-CD1 4.21Å; I115-I339 HydrophobicContact CG1-CG1 4.05Å
116P95.8Very high79.1Confident22 Ų2253.7 Ų53.714%0.14329%0.291CS..EExtended strand (participates in β ladder)trans-69.3141.7176.2-20.133.9000112.3D196 F336 N338P116-D196 WeakPolarHBondContact CA-OD1 3.49Å; P116-D196 VanDerWaalsContact CB-OD1 3.27Å; P116-D196 WeakPolarHBondContact CB-OD1 3.48Å; P116-F336 HydrophobicContact CB-CB 3.82Å; P116-F336 HydrophobicContact CB-CG 4.29Å; P116-F336 VanDerWaalsContact O-CB 3.25Å; P116-F336 WeakPolarHBondContact O-CB 3.44Å; P116-F336 PolarHBondContact O-N 3.08Å; P116-N338 WeakPolarHBondContact CD-O 3.36Å
117L93.8Very high76.8Confident14 Ų1459.2 Ų59.27%0.07332%0.32CS..BIsolated β-bridgetrans-114.2152.6178.7-55.5-177.8000110.5W119 I190 A195 I197 L333 P334 L335L117-W119 HydrophobicContact CD1-CZ2 3.81Å; L117-I190 HydrophobicContact CD1-CG2 4.11Å; L117-A195 WeakPolarHBondContact CB-O 3.39Å; L117-A195 PolarHBondContact N-O 3.28Å; L117-I197 HydrophobicContact CD1-CD1 4Å; L117-I197 HydrophobicContact CD1-CG1 3.97Å; L117-I197 HydrophobicContact CD2-CD1 4.06Å; L117-I197 HydrophobicContact CG-CD1 4.33Å; L117-I197 HydrophobicContact CG-CG1 4.31Å; L117-L333 HydrophobicContact CD1-CD1 4.37Å; L117-L333 HydrophobicContact CD2-CD2 4.33Å; L117-L333 HydrophobicContact CD2-CG 4.25Å; L117-P334 CarbonylContact C-O 3.59Å; L117-P334 VanDerWaalsContact CA-O 3.28Å; L117-P334 WeakPolarHBondContact CA-O 3.48Å; L117-L335 HydrophobicContact CD2-CD2 3.87Å
118I89.8Confident74.7Confident76 Ų7663.5 Ų63.539%0.3934%0.342SS..  trans-130.584179-170.9167.5000111.7R120 P334 F336I118-R120 PolarHBondContact O-N 2.8Å; I118-P334 PolarHBondContact N-O 3.04Å; I118-P334 WeakPolarHBondContact O-CB 3.45Å; I118-F336 HydrophobicContact CB-CD2 4.19Å; I118-F336 HydrophobicContact CD1-CD2 4.24Å; I118-F336 HydrophobicContact CD1-CE2 4.44Å
119W84.7Confident72.7Confident59 Ų5968.9 Ų68.922%0.22337%0.366CS..  trans-64.2103.3172.5-54.597.4000109.9L117 N121 Y169 I190 K191 P192 G193 T194 L333 P334L117-W119 HydrophobicContact CD1-CZ2 3.81Å; W119-N121 PolarHBondContact O-N 3.03Å; W119-Y169 HydrophobicContact CH2-CD2 4.03Å; W119-Y169 AromaticContact CH2-CE2 3.9Å; W119-Y169 HydrophobicContact CH2-CE2 3.9Å; W119-Y169 AromaticContact CZ3-CE2 3.99Å; W119-Y169 HydrophobicContact CZ3-CE2 3.99Å; W119-I190 HydrophobicContact CZ2-CG2 4.35Å; W119-K191 WeakPolarHBondContact CZ2-O 3.1Å; W119-P192 HydrophobicContact CD2-CB 4.21Å; W119-P192 HydrophobicContact CE3-CB 3.86Å; W119-P192 HydrophobicContact CE3-CG 4.25Å; W119-P192 HydrophobicContact CH2-CG 4.46Å; W119-P192 HydrophobicContact CZ3-CB 4.07Å; W119-P192 HydrophobicContact CZ3-CG 3.98Å; W119-G193 VanDerWaalsContact CD1-N 3.29Å; W119-T194 PolarHBondContact NE1-O 3.45Å; W119-L333 HydrophobicContact CH2-CD1 4.16Å; W119-P334 HydrophobicContact CD2-CG 3.9Å; W119-P334 HydrophobicContact CE3-CG 3.57Å; W119-P334 HydrophobicContact CH2-CG 4.19Å; W119-P334 HydrophobicContact CZ2-CG 4.47Å; W119-P334 HydrophobicContact CZ3-CG 3.73Å
120R70.4Confident70.8Confident205 Ų20573.4 Ų73.477%0.77439%0.39SS*.  trans-63.6134.4163.5-59-171.2-169.599.74.6107.1I118 I122I118-R120 PolarHBondContact O-N 2.8Å; R120-I122 PolarHBondContact O-N 3.09Å
121N53.1Low68.9Low153 Ų15376.6 Ų76.682%0.81841%0.41SS*.  trans-60.1101.1171-72.2-30.9000108.4W119 A123W119-N121 PolarHBondContact O-N 3.03Å; N121-A123 PolarHBondContact O-N 2.92Å
122I49.6Very low67Low131 Ų13180.9 Ų80.967%0.67243%0.431SS*.  trans-48.9129.4157.2-57.9166.9000105R120R120-I122 PolarHBondContact O-N 3.09Å
123A37.9Very low65.4Low73 Ų7384.6 Ų84.660%0.60345%0.447SS*.  trans-43.2134-162.200000112N121 G125N121-A123 PolarHBondContact O-N 2.92Å; A123-G125 PolarHBondContact O-N 3.03Å
124P39.6Very low63.8Low100 Ų10092 Ų9265%0.64948%0.481SS*.THydrogen-bonded Turntrans-6510.4-161.623.8-34.7000116.5M128P124-M128 VanDerWaalsContact O-CB 3.32Å; P124-M128 WeakPolarHBondContact O-CB 3.27Å; P124-M128 WeakPolarHBondContact O-CG 3.15Å
125G43Very low61.7Low54 Ų5493.2 Ų93.256%0.55749%0.494SS*.Hα-helixtrans-72.4-34173.300000115.1A123 H129A123-G125 PolarHBondContact O-N 3.03Å; G125-H129 WeakPolarHBondContact O-CB 3.31Å; G125-H129 PolarHBondContact O-N 2.87Å; G125-H129 VanDerWaalsContact O-N 3.08Å
126T52.1Low59.5Low82 Ų8299.5 Ų99.550%0.50352%0.521SS..Hα-helixtrans-77.8-45.8-172.744.40000113.7M128 H129 L130T126-M128 VanDerWaalsContact C-N 3.33Å; T126-H129 PolarHBondContact O-N 3.02Å; T126-L130 PolarHBondContact O-N 3.05Å
127N46.4Very low56.9Low115 Ų115103 Ų10362%0.61554%0.544SS*.Hα-helixtrans-71.9-27.4176.3-73.3-17.6000112.6T131N127-T131 VanDerWaalsContact O-CB 3.29Å; N127-T131 WeakPolarHBondContact O-CB 3.45Å; N127-T131 PolarHBondContact O-N 3.39Å; N127-T131 PolarHBondContact O-OG1 2.83Å
128M49.1Very low54.5Low115 Ų115109.1 Ų109.157%0.56758%0.582SS**Hα-helixtrans-69-37.7170.1-70.9-67.6-7300111.2P124 T126 T131 M132P124-M128 VanDerWaalsContact O-CB 3.32Å; P124-M128 WeakPolarHBondContact O-CB 3.27Å; P124-M128 WeakPolarHBondContact O-CG 3.15Å; T126-M128 VanDerWaalsContact C-N 3.33Å; M128-T131 PolarHBondContact O-N 3.21Å; M128-M132 WeakPolarHBondContact O-CB 3.47Å; M128-M132 WeakPolarHBondContact O-CG 3.48Å; M128-M132 PolarHBondContact O-N 2.86Å
129H52.5Low51.9Low113 Ų113110.3 Ų110.352%0.52360%0.597SS.*Hα-helixtrans-63.5-45.5176.4-170.5-72.1000112.6G125 T126 M132 Q133G125-H129 WeakPolarHBondContact O-CB 3.31Å; G125-H129 PolarHBondContact O-N 2.87Å; G125-H129 VanDerWaalsContact O-N 3.08Å; T126-H129 PolarHBondContact O-N 3.02Å; H129-M132 PolarHBondContact O-N 3.34Å; H129-Q133 PolarHBondContact CE1-NE2 2.84Å; H129-Q133 PolarHBondContact CE1-OE1 2.66Å; H129-Q133 VanDerWaalsContact CE1-OE1 3.32Å; H129-Q133 PolarHBondContact ND1-OE1 3.14Å; H129-Q133 WeakPolarHBondContact O-CB 3.46Å; H129-Q133 WeakPolarHBondContact O-CG 3.45Å; H129-Q133 PolarHBondContact O-N 3.15Å
130L55Low49.6Very low99 Ų99112.8 Ų112.852%0.51862%0.623SS.*Hα-helixtrans-64.9-45.5176-89.7150.6000112.1T126 M132 Q133 Q134T126-L130 PolarHBondContact O-N 3.05Å; L130-M132 VanDerWaalsContact C-N 3.34Å; L130-M132 PolarHBondContact O-N 3.04Å; L130-Q133 PolarHBondContact O-N 3.49Å; L130-Q134 WeakPolarHBondContact O-CG 3.39Å; L130-Q134 PolarHBondContact O-N 2.87Å
131T56.2Low48Very low67 Ų67110.2 Ų110.241%0.41162%0.623SS.*Hα-helixtrans-63.6-39175.8-51.70000111.5N127 M128 Q134 L135N127-T131 VanDerWaalsContact O-CB 3.29Å; N127-T131 WeakPolarHBondContact O-CB 3.45Å; N127-T131 PolarHBondContact O-N 3.39Å; N127-T131 PolarHBondContact O-OG1 2.83Å; M128-T131 PolarHBondContact O-N 3.21Å; T131-Q134 PolarHBondContact O-N 3.39Å; T131-L135 HydrophobicContact CG2-CD1 3.79Å; T131-L135 HydrophobicContact CG2-CG 4.26Å; T131-L135 WeakPolarHBondContact O-CB 3.31Å; T131-L135 VanDerWaalsContact O-CG 3.27Å; T131-L135 WeakPolarHBondContact O-CG 3.3Å; T131-L135 PolarHBondContact O-N 3.35Å
132M55Low47.2Very low92 Ų92108.9 Ų108.945%0.45362%0.621SS.*Hα-helixtrans-70.2-35.6176.9-72.7-71.3-70.500112.6M128 H129 L130 Q134 L135 F136M128-M132 WeakPolarHBondContact O-CB 3.47Å; M128-M132 WeakPolarHBondContact O-CG 3.48Å; M128-M132 PolarHBondContact O-N 2.86Å; H129-M132 PolarHBondContact O-N 3.34Å; L130-M132 VanDerWaalsContact C-N 3.34Å; L130-M132 PolarHBondContact O-N 3.04Å; M132-Q134 VanDerWaalsContact C-N 3.31Å; M132-L135 PolarHBondContact O-N 2.8Å; M132-F136 HydrophobicContact CE-CD2 3.69Å; M132-F136 HydrophobicContact CE-CE2 3.6Å; M132-F136 WeakPolarHBondContact O-CA 3.43Å; M132-F136 WeakPolarHBondContact O-CB 3.47Å; M132-F136 PolarHBondContact O-N 3.21Å; M132-F136 HydrophobicContact SD-CD2 3.97Å; M132-F136 HydrophobicContact SD-CE2 3.75Å
133Q60.4Low46.3Very low118 Ų118108.4 Ų108.455%0.55163%0.629SS**Hα-helixtrans-69.2-28.3172.1-77.9-175.9-46.400112.9H129 L130 F136H129-Q133 PolarHBondContact CE1-NE2 2.84Å; H129-Q133 PolarHBondContact CE1-OE1 2.66Å; H129-Q133 VanDerWaalsContact CE1-OE1 3.32Å; H129-Q133 PolarHBondContact ND1-OE1 3.14Å; H129-Q133 WeakPolarHBondContact O-CB 3.46Å; H129-Q133 WeakPolarHBondContact O-CG 3.45Å; H129-Q133 PolarHBondContact O-N 3.15Å; L130-Q133 PolarHBondContact O-N 3.49Å; Q133-F136 CarbonylContact O-C 3.57Å
134Q61.6Low46Very low154 Ų154108.1 Ų108.172%0.7263%0.633SS**Hα-helixtrans-80.3-32.9173.8-72.6-179.3-14.400113.2L130 T131 M132L130-Q134 WeakPolarHBondContact O-CG 3.39Å; L130-Q134 PolarHBondContact O-N 2.87Å; T131-Q134 PolarHBondContact O-N 3.39Å; M132-Q134 VanDerWaalsContact C-N 3.31Å
135L52.3Low45.8Very low116 Ų116111.9 Ų111.961%0.60765%0.647SS**Hα-helixtrans-81.7-27.2175.8-70174.5000113.2T131 M132T131-L135 HydrophobicContact CG2-CD1 3.79Å; T131-L135 HydrophobicContact CG2-CG 4.26Å; T131-L135 WeakPolarHBondContact O-CB 3.31Å; T131-L135 VanDerWaalsContact O-CG 3.27Å; T131-L135 WeakPolarHBondContact O-CG 3.3Å; T131-L135 PolarHBondContact O-N 3.35Å; M132-L135 PolarHBondContact O-N 2.8Å
136F51.3Low45.4Very low132 Ų132116.8 Ų116.858%0.57966%0.66SS**SBendtrans-127.372.7176.7-57.7-79000110.5M132 Q133 T138M132-F136 HydrophobicContact CE-CD2 3.69Å; M132-F136 HydrophobicContact CE-CE2 3.6Å; M132-F136 WeakPolarHBondContact O-CA 3.43Å; M132-F136 WeakPolarHBondContact O-CB 3.47Å; M132-F136 PolarHBondContact O-N 3.21Å; M132-F136 HydrophobicContact SD-CD2 3.97Å; M132-F136 HydrophobicContact SD-CE2 3.75Å; Q133-F136 CarbonylContact O-C 3.57Å; F136-T138 PolarHBondContact O-N 3.13Å; F136-T138 VanDerWaalsContact O-N 3.12Å
137P40.4Very low44.8Very low95 Ų95119.1 Ų119.162%0.61768%0.676SS**  trans-63.1115.2167.928.2-33.4000108.3S139P137-S139 PolarHBondContact O-N 3.1Å
138T43.2Very low44.1Very low143 Ų143117.3 Ų117.388%0.87768%0.677SS**  trans-72.186.3-174.348.40000111.8F136F136-T138 PolarHBondContact O-N 3.13Å; F136-T138 VanDerWaalsContact O-N 3.12Å
139S36.3Very low43.5Very low101 Ų101118.9 Ų118.971%0.70669%0.693SS**  trans-82.8115.3165.853.30000110.4P137P137-S139 PolarHBondContact O-N 3.1Å
140S35.3Very low42.5Very low110 Ų110119.1 Ų119.177%0.76970%0.702SS**  trans59.8143.9172.960.30000116
141I38.6Very low41.6Very low151 Ų151122.2 Ų122.277%0.77472%0.719SS**  -161.8134.566.2-82.5164.1000111.2
142V34.8Very low40.8Very low126 Ų126123.3 Ų123.376%0.76474%0.735SS**  trans37.1118.3143.1-172.10000121.8
143S31.8Very low39.6Very low120 Ų120125 Ų12584%0.83976%0.756SS**  trans11.6130.7138.5-46.10000121.9
144G30.9Very low38.3Very low68 Ų68122.8 Ų122.870%0.70177%0.765SS**  trans169.1101.2154.500000117.5
145L35.8Very low36.9Very low178 Ų178123 Ų12393%0.93277%0.771SS**  trans63.4119163.2-66103.4000120.5
146L34.3Very low36.2Very low158 Ų158124.2 Ų124.283%0.82778%0.778SS**  trans-91.2176.5160.9-66.8166.7000110.4
147P38.8Very low35.3Very low130 Ų130123.3 Ų123.384%0.84480%0.795SS**  -135.1155.391.536.2-24.4000115.3
148A31.9Very low34.9Very low78 Ų78125.1 Ų125.165%0.64580%0.799SS**  trans-68150.7-171.300000115.9
149V37Very low34.4Very low147 Ų147129.4 Ų129.489%0.89180%0.801SS**  trans-113.5128.2133171.70000107.4
150V32.3Very low34.2Very low119 Ų119129.7 Ų129.772%0.72180%0.803SS**  trans-74.3140.9-178.5-77.90000112.2
151N36.4Very low34.2Very low163 Ų163131.8 Ų131.887%0.87281%0.805SS**  trans-161.4143.3136.2-100.7-20.8000111.6
152A37.6Very low34.1Very low90 Ų90129.7 Ų129.774%0.74480%0.804SS**  trans-15.4125.9-179.600000117.9
153S30.9Very low34.5Very low128 Ų128126 Ų12690%0.89579%0.792SS**  69.2117.164.8-175.20000113.2
154G33.8Very low35.2Very low72 Ų72127.3 Ų127.374%0.74279%0.785SS**  trans154.782.8175.700000112.6
155D31.5Very low36.3Very low157 Ų157130.7 Ų130.784%0.8478%0.782SS**  trans-59.4138167-64.7-65.4000110.8
156N36.9Very low37.3Very low143 Ų143122.8 Ų122.877%0.76574%0.742SS**  trans-172.397.1143-93.9-27000109.5D158N156-D158 PolarHBondContact O-N 3.4Å
157A32.3Very low39.2Very low112 Ų112119.6 Ų119.693%0.92673%0.726SS**  trans-78.574164.700000109
158D31.9Very low41.4Very low133 Ų133113.4 Ų113.471%0.71169%0.686SS**  trans-93.7138.3-178.9-121.6-23.6000111.8N156 S160N156-D158 PolarHBondContact O-N 3.4Å; D158-S160 PolarHBondContact O-N 3.42Å
159Y33.8Very low44.3Very low234 Ų234110.3 Ų110.392%0.91866%0.657SS**  trans-65.787.3178.4-101.2-107000111D161Y159-D161 PolarHBondContact O-N 3.38Å; Y159-D161 VanDerWaalsContact O-N 3.09Å
160S32.9Very low47Very low106 Ų106103.3 Ų103.374%0.74162%0.615SS**  trans-78.690165.164.70000109.9D158 S162D158-S160 PolarHBondContact O-N 3.42Å; S160-S162 VanDerWaalsContact C-N 3.26Å; S160-S162 PolarHBondContact O-N 3.29Å
161D34.1Very low50Low154 Ų15497.6 Ų97.682%0.82458%0.581SS**  trans-52.193.7155.6175.826000108.2Y159 G163Y159-D161 PolarHBondContact O-N 3.38Å; Y159-D161 VanDerWaalsContact O-N 3.09Å; D161-G163 PolarHBondContact O-N 3.15Å
162S37.5Very low52.8Low107 Ų10789.9 Ų89.975%0.74854%0.539SS*.  trans-79.372.2-172.662.50000109.6S160 E164S160-S162 VanDerWaalsContact C-N 3.26Å; S160-S162 PolarHBondContact O-N 3.29Å; S162-E164 PolarHBondContact O-N 2.87Å
163G41.3Very low55.7Low50 Ų5085.6 Ų85.652%0.51550%0.504SS..  trans-50121.9-17700000111.9D161 Q165D161-G163 PolarHBondContact O-N 3.15Å; G163-Q165 PolarHBondContact O-N 3.36Å
164E46.9Very low58.8Low147 Ų14780 Ų8069%0.68746%0.464SS*.  trans-23.595.6-174.5-85.8-177.3144.900113.8P40 S162P40-E164 WeakPolarHBondContact CG-O 3.33Å; S162-E164 PolarHBondContact O-N 2.87Å
165Q54Low61.8Low138 Ų13876.5 Ų76.565%0.64543%0.429SS*.  trans-89126.3175.3-157.9149.6107.600108.4G163 D167G163-Q165 PolarHBondContact O-N 3.36Å; Q165-D167 PolarHBondContact O-N 3.07Å
166C57Low64.8Low13 Ų1372 Ų729%0.08840%0.402CS..  trans-80103.1-173.4-172.80000110.9P40 G168 F188 G224P40-C166 HydrophobicContact CB-CB 4.25Å; C166-G168 PolarHBondContact SG-O 3.46Å; C166-F188 HydrophobicContact CB-CE2 4.31Å; C166-F188 HydrophobicContact CB-CZ 3.97Å; C166-F188 WeakPolarHBondContact SG-CZ 3.45Å; C166-G224 PolarHBondContact O-N 2.82Å
167D73.8Confident67.6Low90 Ų9065.8 Ų65.848%0.48137%0.369SS..  trans-88.1-2.4-178.1-79.5-11.5000114.6Q165 K223Q165-D167 PolarHBondContact O-N 3.07Å; D167-K223 WeakPolarHBondContact O-CD 3.16Å; D167-K223 VanDerWaalsContact O-CE 3.25Å; D167-K223 WeakPolarHBondContact O-CE 3.41Å; D167-K223 VanDerWaalsContact O-CG 3.23Å; D167-K223 WeakPolarHBondContact O-CG 3.4Å; D167-K223 PolarHBondContact O-NZ 3.27Å
168G85.8Confident70.4Confident0 Ų063.2 Ų63.20%035%0.354CS..SBendtrans-105.2167.5170.700000113.1C166 D189 I190C166-G168 PolarHBondContact SG-O 3.46Å; G168-D189 WeakPolarHBondContact CA-OD1 3.42Å; G168-D189 PolarHBondContact N-OD1 2.91Å; G168-I190 VanDerWaalsContact CA-O 3.28Å; G168-I190 WeakPolarHBondContact CA-O 3.44Å
169Y92.1Very high73Confident13 Ų1361.3 Ų61.35%0.05134%0.34CS..EExtended strand (participates in β ladder)trans-74162.6169.3-62.2-96.5000110.5W119 D189 I190 F221 K223 D332 L333W119-Y169 HydrophobicContact CH2-CD2 4.03Å; W119-Y169 AromaticContact CH2-CE2 3.9Å; W119-Y169 HydrophobicContact CH2-CE2 3.9Å; W119-Y169 AromaticContact CZ3-CE2 3.99Å; W119-Y169 HydrophobicContact CZ3-CE2 3.99Å; Y169-D189 PolarHBondContact O-N 3.18Å; Y169-D189 VanDerWaalsContact O-N 3.16Å; Y169-I190 PolarHBondContact N-O 3.32Å; Y169-I190 PolarHBondContact O-N 2.64Å; Y169-F221 WeakPolarHBondContact CA-O 3.28Å; Y169-K223 HydrophobicContact CD1-CB 4.34Å; Y169-K223 HydrophobicContact CD2-CB 4.08Å; Y169-K223 HydrophobicContact CE1-CB 4.12Å; Y169-K223 HydrophobicContact CE2-CB 3.84Å; Y169-K223 HydrophobicContact CG-CB 4.31Å; Y169-D332 PolarHBondContact OH-OD1 3.38Å; Y169-D332 VanDerWaalsContact OH-OD1 3.14Å; Y169-D332 PolarHBondContact OH-OD2 3.4Å; Y169-D332 VanDerWaalsContact OH-OD2 3.05Å; Y169-L333 HydrophobicContact CD1-CB 3.89Å; Y169-L333 HydrophobicContact CD1-CD1 4Å; Y169-L333 HydrophobicContact CD2-CD1 3.68Å; Y169-L333 HydrophobicContact CE1-CB 4.03Å; Y169-L333 HydrophobicContact CE1-CD1 4.5Å; Y169-L333 HydrophobicContact CE2-CD1 4.21Å; Y169-L333 HydrophobicContact CG-CB 4.35Å; Y169-L333 HydrophobicContact CG-CD1 3.57Å
170S94.2Very high75.8Confident0 Ų052.9 Ų52.90%031%0.311CS..EExtended strand (participates in β ladder)trans-130.7142.3167.1-60.20000110.6L44 I187 F188 A220 F221L44-S170 WeakPolarHBondContact CD1-OG 3.38Å; S170-I187 CarbonylContact C-O 3.58Å; S170-I187 WeakPolarHBondContact CA-O 3.46Å; S170-I187 WeakPolarHBondContact CB-O 3.27Å; S170-F188 VanDerWaalsContact OG-CD2 3.24Å; S170-F188 WeakPolarHBondContact OG-CD2 3.05Å; S170-A220 CarbonylContact O-C 3.53Å; S170-A220 VanDerWaalsContact O-CA 3.25Å; S170-A220 WeakPolarHBondContact O-CA 3.44Å; S170-F221 PolarHBondContact N-O 2.86Å; S170-F221 VanDerWaalsContact N-O 3.17Å; S170-F221 PolarHBondContact O-N 3.42Å
171L95Very high78.7Confident0 Ų048.6 Ų48.60%028%0.28CS..EExtended strand (participates in β ladder)trans-144.4145.4-171.7178.5150.9000112.5I115 I187 I190 I197 F199 I218 Y219 A220 I270 L333I115-L171 HydrophobicContact CD1-CD2 3.94Å; L171-I187 PolarHBondContact N-O 3.44Å; L171-I187 PolarHBondContact O-N 3.18Å; L171-I190 HydrophobicContact CB-CD1 3.75Å; L171-I197 HydrophobicContact CB-CD1 4.47Å; L171-I197 HydrophobicContact CD1-CD1 3.76Å; L171-I197 HydrophobicContact CD2-CD1 4.13Å; L171-I197 HydrophobicContact CD2-CG2 4.27Å; L171-I197 HydrophobicContact CG-CD1 4.37Å; L171-F199 HydrophobicContact CD2-CE2 4.27Å; L171-F199 HydrophobicContact CD2-CZ 3.88Å; L171-I218 HydrophobicContact CD1-CG2 3.47Å; L171-I218 VanDerWaalsContact CD1-CG2 3.47Å; L171-I218 HydrophobicContact CD2-CG2 4.23Å; L171-I218 HydrophobicContact CG-CG2 3.91Å; L171-Y219 VanDerWaalsContact CA-O 3.29Å; L171-Y219 WeakPolarHBondContact CA-O 3.47Å; L171-A220 HydrophobicContact CB-CB 4.47Å; L171-A220 HydrophobicContact CD1-CB 4.37Å; L171-I270 HydrophobicContact CD1-CD1 4.1Å; L171-L333 HydrophobicContact CD1-CD2 3.42Å; L171-L333 VanDerWaalsContact CD1-CD2 3.42Å
172F96.4Very high81.6Confident0 Ų046.7 Ų46.70%026%0.261CS..EExtended strand (participates in β ladder)trans-145.7169.9164.371.9-80.6000110K48 L51 V52 T174 L186 Y219 F267K48-F172 HydrophobicContact CB-CD1 4.23Å; K48-F172 HydrophobicContact CB-CE1 3.95Å; K48-F172 HydrophobicContact CB-CZ 4.28Å; K48-F172 HydrophobicContact CD-CB 3.9Å; K48-F172 HydrophobicContact CD-CD1 3.7Å; K48-F172 HydrophobicContact CD-CD2 3.92Å; K48-F172 HydrophobicContact CD-CE1 4.18Å; K48-F172 HydrophobicContact CD-CE2 4.39Å; K48-F172 HydrophobicContact CD-CG 3.56Å; K48-F172 VanDerWaalsContact CE-CB 3.46Å; K48-F172 VanDerWaalsContact CE-CD2 3.47Å; K48-F172 HydrophobicContact CG-CD1 3.85Å; K48-F172 HydrophobicContact CG-CD2 3.97Å; K48-F172 HydrophobicContact CG-CE1 3.79Å; K48-F172 HydrophobicContact CG-CE2 3.91Å; K48-F172 HydrophobicContact CG-CG 3.94Å; K48-F172 HydrophobicContact CG-CZ 3.83Å; L51-F172 HydrophobicContact CD1-CZ 4.3Å; L51-F172 HydrophobicContact CD2-CZ 4.2Å; V52-F172 HydrophobicContact CG2-CD2 4.48Å; V52-F172 HydrophobicContact CG2-CE2 3.66Å; V52-F172 HydrophobicContact CG2-CZ 4.28Å; F172-T174 HydrophobicContact CD2-CG2 4.39Å; F172-T174 HydrophobicContact CE2-CG2 3.76Å; F172-L186 HydrophobicContact CB-CD1 4.35Å; F172-L186 HydrophobicContact CD1-CD1 4.11Å; F172-Y219 HydrophobicContact CE1-CG 4.35Å; F172-Y219 HydrophobicContact CE2-CD2 4.14Å; F172-Y219 HydrophobicContact CE2-CG 4.38Å; F172-Y219 HydrophobicContact CZ-CD2 4.15Å; F172-Y219 AromaticContact CZ-CG 3.95Å; F172-Y219 HydrophobicContact CZ-CG 3.95Å; F172-Y219 PolarHBondContact N-O 3.17Å; F172-Y219 PolarHBondContact O-N 2.84Å; F172-F267 HydrophobicContact CD1-CD1 4.04Å; F172-F267 AromaticContact CD1-CE1 3.82Å; F172-F267 HydrophobicContact CD1-CE1 3.82Å; F172-F267 HydrophobicContact CD1-CZ 4.11Å; F172-F267 HydrophobicContact CE1-CB 4.39Å; F172-F267 AromaticContact CE1-CD1 3.65Å; F172-F267 HydrophobicContact CE1-CD1 3.65Å; F172-F267 AromaticContact CE1-CD2 3.87Å; F172-F267 HydrophobicContact CE1-CD2 3.87Å; F172-F267 AromaticContact CE1-CE1 3.78Å; F172-F267 HydrophobicContact CE1-CE1 3.78Å; F172-F267 AromaticContact CE1-CE2 3.99Å; F172-F267 HydrophobicContact CE1-CE2 3.99Å; F172-F267 AromaticContact CE1-CG 3.71Å; F172-F267 HydrophobicContact CE1-CG 3.71Å; F172-F267 AromaticContact CE1-CZ 3.94Å; F172-F267 HydrophobicContact CE1-CZ 3.94Å
173C96.8Very high84.3Confident0 Ų044 Ų440%024%0.238CC..EExtended strand (participates in β ladder)trans-120149.3173-44.90000110.9D183 T184 I216 E217C173-D183 CarbonylContact O-C 3.57Å; C173-D183 WeakPolarHBondContact O-CA 3.46Å; C173-T184 HydrophobicContact CB-CG2 3.76Å; C173-T184 PolarHBondContact N-OG1 2.77Å; C173-T184 PolarHBondContact O-N 2.91Å; C173-I216 HydrophobicContact CB-CG2 4.24Å; C173-E217 CarbonylContact C-O 3.57Å; C173-E217 WeakPolarHBondContact CA-O 3.46Å; C173-E217 WeakPolarHBondContact CB-O 3.27Å
174T96.1Very high86.9Confident10 Ų1041.8 Ų41.86%0.06122%0.215CC..EExtended strand (participates in β ladder)trans-105.1141.5161.960.90000110.3V52 F172 R182 I216 E217 Y219V52-T174 HydrophobicContact CG2-CG2 3.92Å; F172-T174 HydrophobicContact CD2-CG2 4.39Å; F172-T174 HydrophobicContact CE2-CG2 3.76Å; T174-R182 CarbonylContact C-O 3.56Å; T174-R182 VanDerWaalsContact CA-O 3.31Å; T174-R182 WeakPolarHBondContact CA-O 3.32Å; T174-I216 WeakPolarHBondContact O-CA 3.41Å; T174-E217 PolarHBondContact N-O 2.94Å; T174-E217 PolarHBondContact O-N 2.95Å; T174-Y219 HydrophobicContact CG2-CD2 4.18Å; T174-Y219 HydrophobicContact CG2-CE2 4.05Å
175I97.4Very high89.2Confident0 Ų040.9 Ų40.90%021%0.205CC..EExtended strand (participates in β ladder)trans-122.4113.7-179-56.2149.5000107.1L110 I113 R182 T184 W203 F205 I215L110-I175 HydrophobicContact CD2-CB 4.44Å; L110-I175 HydrophobicContact CD2-CD1 3.91Å; L110-I175 HydrophobicContact CD2-CG1 3.92Å; L110-I175 HydrophobicContact CD2-CG2 3.63Å; I113-I175 HydrophobicContact CD1-CD1 3.97Å; I175-R182 PolarHBondContact N-O 3.46Å; I175-R182 PolarHBondContact O-N 3.16Å; I175-T184 HydrophobicContact CD1-CG2 4.23Å; I175-W203 HydrophobicContact CD1-CB 4.44Å; I175-W203 HydrophobicContact CD1-CD2 3.34Å; I175-W203 HydrophobicContact CD1-CE3 3.64Å; I175-W203 HydrophobicContact CD1-CG 3.71Å; I175-W203 HydrophobicContact CD1-CH2 4.32Å; I175-W203 HydrophobicContact CD1-CZ2 4.09Å; I175-W203 HydrophobicContact CD1-CZ3 4.13Å; I175-F205 HydrophobicContact CB-CZ 4.42Å; I175-F205 HydrophobicContact CG2-CE2 4.04Å; I175-F205 HydrophobicContact CG2-CZ 3.66Å; I175-I215 CarbonylContact C-O 3.53Å; I175-I215 WeakPolarHBondContact CA-O 3.31Å
176Q95.5Very high91.1Very high62 Ų6235.5 Ų35.529%0.2918%0.18SC..EExtended strand (participates in β ladder)trans-111127.1179.3179.2178.5-12.100111G178 L180 I181 C214 I215Q176-G178 PolarHBondContact NE2-O 3.01Å; Q176-L180 WeakPolarHBondContact CA-O 3.43Å; Q176-I181 HydrophobicContact CB-CG1 4.1Å; Q176-I181 HydrophobicContact CG-CG1 3.88Å; Q176-C214 CarbonylContact O-C 3.57Å; Q176-C214 WeakPolarHBondContact O-CA 3.46Å; Q176-I215 HydrophobicContact CB-CB 4.37Å; Q176-I215 PolarHBondContact N-O 3.17Å; Q176-I215 PolarHBondContact O-N 3.27Å
177V95.5Very high93Very high12 Ų1236.6 Ų36.67%0.07319%0.185CC..EExtended strand (participates in β ladder)trans-126.1113.1168-177.60000108L108 H179 L180 F205 V208 C214L108-V177 HydrophobicContact CD2-CG1 4.39Å; L108-V177 HydrophobicContact CD2-CG2 4.14Å; V177-H179 PolarHBondContact O-N 3.3Å; V177-L180 PolarHBondContact N-O 2.74Å; V177-L180 PolarHBondContact O-N 2.56Å; V177-F205 HydrophobicContact CB-CB 4.43Å; V177-F205 HydrophobicContact CB-CD1 3.64Å; V177-F205 HydrophobicContact CB-CD2 4.43Å; V177-F205 HydrophobicContact CB-CE1 3.92Å; V177-F205 HydrophobicContact CB-CG 3.92Å; V177-F205 HydrophobicContact CB-CZ 4.44Å; V177-F205 HydrophobicContact CG1-CB 4.42Å; V177-F205 HydrophobicContact CG1-CD1 4.48Å; V177-F205 HydrophobicContact CG1-CG 4.41Å; V177-F205 HydrophobicContact CG2-CD1 3.76Å; V177-F205 HydrophobicContact CG2-CD2 3.75Å; V177-F205 HydrophobicContact CG2-CE1 3.75Å; V177-F205 HydrophobicContact CG2-CE2 3.76Å; V177-F205 HydrophobicContact CG2-CG 3.76Å; V177-F205 HydrophobicContact CG2-CZ 3.76Å; V177-V208 HydrophobicContact CG1-CG1 4.31Å; V177-V208 HydrophobicContact CG1-CG2 4.1Å; V177-C214 HydrophobicContact CG2-CB 3.91Å
178G90.3Very high93.9Very high58 Ų5835.1 Ų35.160%0.59818%0.175SC*.THydrogen-bonded Turntrans58.1-110.6-173.200000112.1Q176Q176-G178 PolarHBondContact NE2-O 3.01Å
179H87.6Confident94.1Very high93 Ų9337.5 Ų37.543%0.43119%0.187SC..THydrogen-bonded Turntrans-98.3-13.6177.967.9-91.2000113.9S59 L63 V177S59-H179 WeakPolarHBondContact OG-CA 3.43Å; S59-H179 PolarHBondContact OG-O 3.25Å; L63-H179 HydrophobicContact CD1-CB 3.87Å; L63-H179 HydrophobicContact CD2-CB 4.07Å; L63-H179 HydrophobicContact CG-CB 4.19Å; V177-H179 PolarHBondContact O-N 3.3Å
180L91.8Very high94.1Very high57 Ų5737.2 Ų37.230%0.29819%0.186SC..EExtended strand (participates in β ladder)trans-84.1119.8-177.1-65.2174.5000109.5Q176 V177 F205Q176-L180 WeakPolarHBondContact CA-O 3.43Å; V177-L180 PolarHBondContact N-O 2.74Å; V177-L180 PolarHBondContact O-N 2.56Å; L180-F205 HydrophobicContact CB-CD1 4.11Å; L180-F205 HydrophobicContact CB-CE1 4.27Å; L180-F205 HydrophobicContact CD1-CD1 4.19Å
181I94Very high93.8Very high17 Ų1742.4 Ų42.49%0.08721%0.209CC..EExtended strand (participates in β ladder)trans-112.2124.1175.2-59170.9000108.3A55 Q56 Q176A55-I181 HydrophobicContact CB-CD1 4.05Å; Q56-I181 HydrophobicContact CG-CB 3.88Å; Q56-I181 HydrophobicContact CG-CG2 4.24Å; Q56-I181 PolarHBondContact NE2-O 3.42Å; Q176-I181 HydrophobicContact CB-CG1 4.1Å; Q176-I181 HydrophobicContact CG-CG1 3.88Å
182R94.5Very high93.3Very high114 Ų11445.9 Ų45.943%0.4323%0.231SC..EExtended strand (participates in β ladder)trans-116165.2172.9-60.1-62.4-171-176.5-1.3109.7T174 I175 F205T174-R182 CarbonylContact C-O 3.56Å; T174-R182 VanDerWaalsContact CA-O 3.31Å; T174-R182 WeakPolarHBondContact CA-O 3.32Å; I175-R182 PolarHBondContact N-O 3.46Å; I175-R182 PolarHBondContact O-N 3.16Å; R182-F205 HydrophobicContact CB-CZ 4.47Å; R182-F205 HydrophobicContact CG-CE1 3.81Å; R182-F205 HydrophobicContact CG-CZ 3.94Å
183D94.6Very high92.8Very high50 Ų5049 Ų4927%0.26726%0.263SS..EExtended strand (participates in β ladder)trans-133.8157.1177.359.7-49.4000111.6K48 V52 C173 W203K48-D183 IonicContact NZ-OD2 3.1Å; K48-D183 PolarHBondContact NZ-OD2 2.87Å; V52-D183 HydrophobicContact CG1-CB 3.98Å; V52-D183 HydrophobicContact CG2-CB 3.89Å; C173-D183 CarbonylContact O-C 3.57Å; C173-D183 WeakPolarHBondContact O-CA 3.46Å; D183-W203 PolarHBondContact O-NE1 2.61Å; D183-W203 VanDerWaalsContact O-NE1 3.13Å
184T96.1Very high92.5Very high4 Ų451.3 Ų51.33%0.02528%0.278CS..PPolyproline II helixtrans-87.6168.8170.572.40000110.8K48 C173 I175 F199 W203K48-T184 WeakPolarHBondContact CE-O 3.47Å; K48-T184 PolarHBondContact NZ-O 3.06Å; C173-T184 HydrophobicContact CB-CG2 3.76Å; C173-T184 PolarHBondContact N-OG1 2.77Å; C173-T184 PolarHBondContact O-N 2.91Å; I175-T184 HydrophobicContact CD1-CG2 4.23Å; T184-F199 HydrophobicContact CG2-CD1 4.12Å; T184-F199 HydrophobicContact CG2-CD2 4.34Å; T184-F199 HydrophobicContact CG2-CE1 4.27Å; T184-F199 HydrophobicContact CG2-CE2 4.47Å; T184-F199 HydrophobicContact CG2-CG 4.15Å; T184-F199 HydrophobicContact CG2-CZ 4.44Å; T184-F199 WeakPolarHBondContact OG1-CE1 3.33Å; T184-F199 WeakPolarHBondContact OG1-CZ 3.1Å; T184-W203 HydrophobicContact CG2-CH2 3.77Å; T184-W203 HydrophobicContact CG2-CZ2 3.58Å
185R94.6Very high92.2Very high128 Ų12854.1 Ų54.148%0.48330%0.302SS..PPolyproline II helixtrans-59.1150.8166.260.7-179.8-178.8175.81.3110.9I187 E198 F199R185-I187 HydrophobicContact CG-CD1 3.97Å; R185-I187 PolarHBondContact O-N 3.36Å; R185-E198 PolarHBondContact NH2-O 3.46Å; R185-F199 HydrophobicContact CG-CD1 3.9Å; R185-F199 HydrophobicContact CG-CE1 4.07Å; R185-F199 WeakPolarHBondContact O-CE1 3.35Å
186L95.2Very high92Very high24 Ų2457.2 Ų57.213%0.12632%0.319CS..PPolyproline II helixtrans-72125.9168-175.667.1000108.9L41 L44 D45 K48 F172 F267L41-L186 HydrophobicContact CD1-CD2 4.12Å; L44-L186 HydrophobicContact CB-CD2 3.76Å; D45-L186 HydrophobicContact CB-CD2 4.47Å; K48-L186 HydrophobicContact CD-CB 3.92Å; K48-L186 HydrophobicContact CD-CD1 4.24Å; F172-L186 HydrophobicContact CB-CD1 4.35Å; F172-L186 HydrophobicContact CD1-CD1 4.11Å; L186-F267 HydrophobicContact CD1-CE1 3.98Å; L186-F267 HydrophobicContact CD1-CZ 3.84Å
187I95.1Very high92Very high36 Ų3654.6 Ų54.619%0.18531%0.306CS..EExtended strand (participates in β ladder)trans-92125.6163.6-50.8-58.8000106.4S170 L171 R185 I190 I197 F199S170-I187 CarbonylContact C-O 3.58Å; S170-I187 WeakPolarHBondContact CA-O 3.46Å; S170-I187 WeakPolarHBondContact CB-O 3.27Å; L171-I187 PolarHBondContact N-O 3.44Å; L171-I187 PolarHBondContact O-N 3.18Å; R185-I187 HydrophobicContact CG-CD1 3.97Å; R185-I187 PolarHBondContact O-N 3.36Å; I187-I190 HydrophobicContact CB-CD1 4.22Å; I187-I190 HydrophobicContact CB-CG1 4.43Å; I187-I190 HydrophobicContact CG2-CD1 3.91Å; I187-I190 HydrophobicContact CG2-CG1 3.65Å; I187-I197 HydrophobicContact CB-CG2 4.36Å; I187-I197 HydrophobicContact CG1-CG2 3.78Å; I187-I197 HydrophobicContact CG2-CG2 4.4Å; I187-F199 HydrophobicContact CD1-CD1 4.37Å; I187-F199 HydrophobicContact CD1-CE1 3.87Å; I187-F199 HydrophobicContact CG1-CD1 4.5Å; I187-F199 HydrophobicContact CG1-CE1 3.58Å; I187-F199 HydrophobicContact CG1-CZ 3.86Å
188F92.5Very high91.9Very high60 Ų6057.8 Ų57.826%0.26332%0.321SS..EExtended strand (participates in β ladder)trans-119.5150.3-171.7179.1-96.7000110.1P40 L41 L44 C166 S170 I190P40-F188 HydrophobicContact CB-CE2 4.27Å; P40-F188 HydrophobicContact CB-CZ 4.06Å; P40-F188 HydrophobicContact CG-CZ 3.91Å; L41-F188 HydrophobicContact CB-CD1 4.25Å; L41-F188 HydrophobicContact CB-CD2 4.06Å; L41-F188 HydrophobicContact CB-CE1 4.09Å; L41-F188 HydrophobicContact CB-CE2 3.89Å; L41-F188 HydrophobicContact CB-CG 4.25Å; L41-F188 HydrophobicContact CB-CZ 3.91Å; L41-F188 HydrophobicContact CD1-CB 3.77Å; L41-F188 HydrophobicContact CD1-CD1 4.28Å; L41-F188 HydrophobicContact CD1-CD2 3.82Å; L41-F188 HydrophobicContact CD1-CG 3.7Å; L41-F188 HydrophobicContact CG-CG 4.48Å; L44-F188 HydrophobicContact CD1-CD2 3.99Å; L44-F188 HydrophobicContact CD1-CE2 3.87Å; C166-F188 HydrophobicContact CB-CE2 4.31Å; C166-F188 HydrophobicContact CB-CZ 3.97Å; C166-F188 WeakPolarHBondContact SG-CZ 3.45Å; S170-F188 VanDerWaalsContact OG-CD2 3.24Å; S170-F188 WeakPolarHBondContact OG-CD2 3.05Å; F188-I190 PolarHBondContact O-N 2.96Å
189D90.5Very high92.1Very high50 Ų5055 Ų5527%0.26729%0.292SS..EExtended strand (participates in β ladder)trans54.546.8177.9-16530000114.3G168 Y169 K191G168-D189 WeakPolarHBondContact CA-OD1 3.42Å; G168-D189 PolarHBondContact N-OD1 2.91Å; Y169-D189 PolarHBondContact O-N 3.18Å; Y169-D189 VanDerWaalsContact O-N 3.16Å; D189-K191 PolarHBondContact O-N 3.3Å; D189-K191 WeakPolarHBondContact OD1-CE 3.46Å; D189-K191 IonicContact OD1-NZ 2.72Å; D189-K191 WeakPolarHBondContact OD2-CE 3.49Å; D189-K191 IonicContact OD2-NZ 2.77Å; D189-K191 PolarHBondContact OD2-NZ 3.33Å
190I91.9Very high92Very high6 Ų656 Ų563%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-69.1112.9175.1-57.7162.6000108.8L117 W119 G168 Y169 L171 I187 F188 T194 I197 L333L117-I190 HydrophobicContact CD1-CG2 4.11Å; W119-I190 HydrophobicContact CZ2-CG2 4.35Å; G168-I190 VanDerWaalsContact CA-O 3.28Å; G168-I190 WeakPolarHBondContact CA-O 3.44Å; Y169-I190 PolarHBondContact N-O 3.32Å; Y169-I190 PolarHBondContact O-N 2.64Å; L171-I190 HydrophobicContact CB-CD1 3.75Å; I187-I190 HydrophobicContact CB-CD1 4.22Å; I187-I190 HydrophobicContact CB-CG1 4.43Å; I187-I190 HydrophobicContact CG2-CD1 3.91Å; I187-I190 HydrophobicContact CG2-CG1 3.65Å; F188-I190 PolarHBondContact O-N 2.96Å; I190-T194 HydrophobicContact CG2-CG2 4.3Å; I190-I197 HydrophobicContact CD1-CD1 3.8Å; I190-I197 HydrophobicContact CD1-CG1 4.38Å; I190-L333 HydrophobicContact CG2-CD1 4.49Å
191K87.8Confident91.8Very high110 Ų11054.1 Ų54.148%0.47829%0.291SS..  trans-96.8152.6-175.8-72.1172.8-171.6166.40112.7W119 D189 G193 T194W119-K191 WeakPolarHBondContact CZ2-O 3.1Å; D189-K191 PolarHBondContact O-N 3.3Å; D189-K191 WeakPolarHBondContact OD1-CE 3.46Å; D189-K191 IonicContact OD1-NZ 2.72Å; D189-K191 WeakPolarHBondContact OD2-CE 3.49Å; D189-K191 IonicContact OD2-NZ 2.77Å; D189-K191 PolarHBondContact OD2-NZ 3.33Å; K191-G193 PolarHBondContact O-N 3.28Å; K191-T194 WeakPolarHBondContact O-CB 3.4Å; K191-T194 PolarHBondContact O-N 3.24Å; K191-T194 VanDerWaalsContact O-N 3.16Å; K191-T194 PolarHBondContact O-OG1 3.28Å
192P85.7Confident91.7Very high72 Ų7257.9 Ų57.947%0.46831%0.306SS..THydrogen-bonded Turntrans-49.6135.2168.5-26.835.5000111.9W119W119-P192 HydrophobicContact CD2-CB 4.21Å; W119-P192 HydrophobicContact CE3-CB 3.86Å; W119-P192 HydrophobicContact CE3-CG 4.25Å; W119-P192 HydrophobicContact CH2-CG 4.46Å; W119-P192 HydrophobicContact CZ3-CB 4.07Å; W119-P192 HydrophobicContact CZ3-CG 3.98Å
193G85Confident91.6Very high65 Ų6553.2 Ų53.267%0.6729%0.289SS*.THydrogen-bonded Turntrans98.1-12.1-173.500000114.9W119 K191 A195W119-G193 VanDerWaalsContact CD1-N 3.29Å; K191-G193 PolarHBondContact O-N 3.28Å; G193-A195 PolarHBondContact O-N 3.44Å
194T90.4Very high91.6Very high50 Ų5052.1 Ų52.131%0.30728%0.284SS..  trans-65.3112.2172.2-54.40000110.3W119 I190 K191W119-T194 PolarHBondContact NE1-O 3.45Å; I190-T194 HydrophobicContact CG2-CG2 4.3Å; K191-T194 WeakPolarHBondContact O-CB 3.4Å; K191-T194 PolarHBondContact O-N 3.24Å; K191-T194 VanDerWaalsContact O-N 3.16Å; K191-T194 PolarHBondContact O-OG1 3.28Å
195A90.4Very high91.5Very high68 Ų6852 Ų5256%0.56228%0.283SS*.  trans-71-55.2-175.500000113.2L117 G193L117-A195 WeakPolarHBondContact CB-O 3.39Å; L117-A195 PolarHBondContact N-O 3.28Å; G193-A195 PolarHBondContact O-N 3.44Å
196D92.2Very high91.3Very high66 Ų6649.4 Ų49.435%0.35328%0.279SS..EExtended strand (participates in β ladder)trans-126.1145.9-177.5-70.5-23.1000110.6P116 E198P116-D196 WeakPolarHBondContact CA-OD1 3.49Å; P116-D196 VanDerWaalsContact CB-OD1 3.27Å; P116-D196 WeakPolarHBondContact CB-OD1 3.48Å; D196-E198 HydrophobicContact CB-CG 4.28Å
197I95.4Very high91.1Very high6 Ų651.8 Ų51.83%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-99.9120.4165.9-56.1167.4000108.9R114 I115 L117 L171 I187 I190 F199 L333R114-I197 CarbonylContact C-O 3.47Å; R114-I197 VanDerWaalsContact CA-O 3.25Å; R114-I197 WeakPolarHBondContact CA-O 3.37Å; I115-I197 HydrophobicContact CB-CB 4.32Å; I115-I197 PolarHBondContact N-O 2.76Å; I115-I197 PolarHBondContact O-N 3.34Å; L117-I197 HydrophobicContact CD1-CD1 4Å; L117-I197 HydrophobicContact CD1-CG1 3.97Å; L117-I197 HydrophobicContact CD2-CD1 4.06Å; L117-I197 HydrophobicContact CG-CD1 4.33Å; L117-I197 HydrophobicContact CG-CG1 4.31Å; L171-I197 HydrophobicContact CB-CD1 4.47Å; L171-I197 HydrophobicContact CD1-CD1 3.76Å; L171-I197 HydrophobicContact CD2-CD1 4.13Å; L171-I197 HydrophobicContact CD2-CG2 4.27Å; L171-I197 HydrophobicContact CG-CD1 4.37Å; I187-I197 HydrophobicContact CB-CG2 4.36Å; I187-I197 HydrophobicContact CG1-CG2 3.78Å; I187-I197 HydrophobicContact CG2-CG2 4.4Å; I190-I197 HydrophobicContact CD1-CD1 3.8Å; I190-I197 HydrophobicContact CD1-CG1 4.38Å; I197-F199 HydrophobicContact CG2-CE2 4.06Å; I197-F199 HydrophobicContact CG2-CZ 4.04Å; I197-L333 HydrophobicContact CD1-CD2 4.36Å
198E95.3Very high91.1Very high80 Ų8050.5 Ų50.537%0.37429%0.286SS..EExtended strand (participates in β ladder)trans-116.2137.3-173.2-52.2-163.6136.700114.7R114 R185 D196R114-E198 HydrophobicContact CB-CG 4.49Å; R114-E198 WeakPolarHBondContact CD-OE1 3.44Å; R114-E198 HydrophobicContact CG-CB 4.18Å; R114-E198 HydrophobicContact CG-CG 3.84Å; R114-E198 IonicContact NH1-OE1 2.94Å; R185-E198 PolarHBondContact NH2-O 3.46Å; D196-E198 HydrophobicContact CB-CG 4.28Å
199F94.4Very high91.1Very high0 Ų050.4 Ų50.40%029%0.29CS..EExtended strand (participates in β ladder)trans-123110.3172.6-52.7-82.5000111.6I113 I115 L171 T184 R185 I187 I197 D201 W203I113-F199 HydrophobicContact CB-CB 4.28Å; I113-F199 HydrophobicContact CB-CD2 4.11Å; I113-F199 HydrophobicContact CG2-CD2 4.01Å; I113-F199 PolarHBondContact N-O 3.42Å; I113-F199 PolarHBondContact O-N 2.73Å; I115-F199 HydrophobicContact CD1-CE2 4.12Å; L171-F199 HydrophobicContact CD2-CE2 4.27Å; L171-F199 HydrophobicContact CD2-CZ 3.88Å; T184-F199 HydrophobicContact CG2-CD1 4.12Å; T184-F199 HydrophobicContact CG2-CD2 4.34Å; T184-F199 HydrophobicContact CG2-CE1 4.27Å; T184-F199 HydrophobicContact CG2-CE2 4.47Å; T184-F199 HydrophobicContact CG2-CG 4.15Å; T184-F199 HydrophobicContact CG2-CZ 4.44Å; T184-F199 WeakPolarHBondContact OG1-CE1 3.33Å; T184-F199 WeakPolarHBondContact OG1-CZ 3.1Å; R185-F199 HydrophobicContact CG-CD1 3.9Å; R185-F199 HydrophobicContact CG-CE1 4.07Å; R185-F199 WeakPolarHBondContact O-CE1 3.35Å; I187-F199 HydrophobicContact CD1-CD1 4.37Å; I187-F199 HydrophobicContact CD1-CE1 3.87Å; I187-F199 HydrophobicContact CG1-CD1 4.5Å; I187-F199 HydrophobicContact CG1-CE1 3.58Å; I187-F199 HydrophobicContact CG1-CZ 3.86Å; I197-F199 HydrophobicContact CG2-CE2 4.06Å; I197-F199 HydrophobicContact CG2-CZ 4.04Å; F199-D201 VanDerWaalsContact C-N 3.34Å; F199-W203 HydrophobicContact CB-CH2 3.93Å
200N85.4Confident91.3Very high114 Ų11449.5 Ų49.561%0.6129%0.287SS*.EExtended strand (participates in β ladder)trans-86.9-4.9-179.3-61.5-14.4000113.5
201D87.6Confident91.4Very high16 Ų1657.6 Ų57.69%0.08633%0.325CS..EExtended strand (participates in β ladder)trans-63.2160.2173.6-69.3-62.7000111.1F199 W203 I872F199-D201 VanDerWaalsContact C-N 3.34Å; D201-W203 HydrophobicContact CB-CH2 3.55Å; D201-W203 HydrophobicContact CB-CZ2 3.48Å; D201-W203 VanDerWaalsContact CB-CZ2 3.48Å; D201-W203 HydrophobicContact CB-CZ3 4.23Å; D201-W203 VanDerWaalsContact O-CZ3 3.25Å; D201-W203 WeakPolarHBondContact O-CZ3 3.49Å; D201-I872 PolarHBondContact OD1-N 2.82Å
202K91.1Very high91.7Very high96 Ų9653 Ų5342%0.41731%0.305SS..EExtended strand (participates in β ladder)trans-127.8131.6178.2-54.2-166.8173.1-175.10110L110 P865L110-K202 WeakPolarHBondContact O-CA 3.5Å; K202-P865 HydrophobicContact CB-CG 4.49Å; K202-P865 HydrophobicContact CD-CG 3.7Å
203W93.1Very high92.3Very high17 Ų1753.6 Ų53.66%0.06430%0.301CS..EExtended strand (participates in β ladder)trans-113.7115-179.7-58.8-93.2000110.2C109 L110 I113 I175 D183 T184 F199 D201 F205C109-W203 WeakPolarHBondContact CA-O 3.37Å; L110-W203 HydrophobicContact CG-CE3 4.46Å; L110-W203 PolarHBondContact N-O 3.33Å; L110-W203 PolarHBondContact O-N 2.88Å; I113-W203 HydrophobicContact CD1-CE3 4Å; I113-W203 HydrophobicContact CD1-CH2 3.95Å; I113-W203 HydrophobicContact CD1-CZ3 3.4Å; I113-W203 VanDerWaalsContact CD1-CZ3 3.4Å; I113-W203 HydrophobicContact CG1-CZ3 3.93Å; I175-W203 HydrophobicContact CD1-CB 4.44Å; I175-W203 HydrophobicContact CD1-CD2 3.34Å; I175-W203 HydrophobicContact CD1-CE3 3.64Å; I175-W203 HydrophobicContact CD1-CG 3.71Å; I175-W203 HydrophobicContact CD1-CH2 4.32Å; I175-W203 HydrophobicContact CD1-CZ2 4.09Å; I175-W203 HydrophobicContact CD1-CZ3 4.13Å; D183-W203 PolarHBondContact O-NE1 2.61Å; D183-W203 VanDerWaalsContact O-NE1 3.13Å; T184-W203 HydrophobicContact CG2-CH2 3.77Å; T184-W203 HydrophobicContact CG2-CZ2 3.58Å; F199-W203 HydrophobicContact CB-CH2 3.93Å; D201-W203 HydrophobicContact CB-CH2 3.55Å; D201-W203 HydrophobicContact CB-CZ2 3.48Å; D201-W203 VanDerWaalsContact CB-CZ2 3.48Å; D201-W203 HydrophobicContact CB-CZ3 4.23Å; D201-W203 VanDerWaalsContact O-CZ3 3.25Å; D201-W203 WeakPolarHBondContact O-CZ3 3.49Å; W203-F205 HydrophobicContact CB-CE2 3.82Å; W203-F205 HydrophobicContact CB-CZ 4.13Å
204T93.5Very high92.9Very high27 Ų2750.5 Ų50.517%0.16627%0.27CS..EExtended strand (participates in β ladder)trans-101.7136.2177.258.20000111.2L108 C109 I864L108-T204 CarbonylContact O-C 3.47Å; L108-T204 VanDerWaalsContact O-CA 3.27Å; L108-T204 WeakPolarHBondContact O-CA 3.49Å; C109-T204 HydrophobicContact CB-CG2 4.42Å; T204-I864 HydrophobicContact CG2-CG2 3.69Å
205F94Very high93.2Very high2 Ų249 Ų491%0.00926%0.259CS..EExtended strand (participates in β ladder)trans-124.7122.9175.2-53.9-94.6000108.1Q107 L108 I175 V177 L180 R182 W203 V208Q107-F205 CarbonylContact C-O 3.37Å; Q107-F205 WeakPolarHBondContact CA-O 3.39Å; L108-F205 HydrophobicContact CB-CB 4.35Å; L108-F205 PolarHBondContact N-O 3.23Å; L108-F205 PolarHBondContact O-N 2.9Å; I175-F205 HydrophobicContact CB-CZ 4.42Å; I175-F205 HydrophobicContact CG2-CE2 4.04Å; I175-F205 HydrophobicContact CG2-CZ 3.66Å; V177-F205 HydrophobicContact CB-CB 4.43Å; V177-F205 HydrophobicContact CB-CD1 3.64Å; V177-F205 HydrophobicContact CB-CD2 4.43Å; V177-F205 HydrophobicContact CB-CE1 3.92Å; V177-F205 HydrophobicContact CB-CG 3.92Å; V177-F205 HydrophobicContact CB-CZ 4.44Å; V177-F205 HydrophobicContact CG1-CB 4.42Å; V177-F205 HydrophobicContact CG1-CD1 4.48Å; V177-F205 HydrophobicContact CG1-CG 4.41Å; V177-F205 HydrophobicContact CG2-CD1 3.76Å; V177-F205 HydrophobicContact CG2-CD2 3.75Å; V177-F205 HydrophobicContact CG2-CE1 3.75Å; V177-F205 HydrophobicContact CG2-CE2 3.76Å; V177-F205 HydrophobicContact CG2-CG 3.76Å; V177-F205 HydrophobicContact CG2-CZ 3.76Å; L180-F205 HydrophobicContact CB-CD1 4.11Å; L180-F205 HydrophobicContact CB-CE1 4.27Å; L180-F205 HydrophobicContact CD1-CD1 4.19Å; R182-F205 HydrophobicContact CB-CZ 4.47Å; R182-F205 HydrophobicContact CG-CE1 3.81Å; R182-F205 HydrophobicContact CG-CZ 3.94Å; W203-F205 HydrophobicContact CB-CE2 3.82Å; W203-F205 HydrophobicContact CB-CZ 4.13Å; F205-V208 HydrophobicContact CB-CG2 3.76Å
206D91Very high93.5Very high72 Ų7245.7 Ų45.739%0.38523%0.233SC..EExtended strand (participates in β ladder)trans-94.1160.6179.7-59.3-33.2000110.1Q107 V208Q107-D206 WeakPolarHBondContact CG-OD1 3.44Å; Q107-D206 PolarHBondContact NE2-OD1 3.46Å; D206-V208 PolarHBondContact O-N 2.89Å
207D91.5Very high93.7Very high75 Ų7544.1 Ų44.140%0.40122%0.223SC..EExtended strand (participates in β ladder)trans56.942.5177.5-67.1-42.3000114.1K102 Y105 A106 H348K102-D207 WeakPolarHBondContact CD-OD1 3.24Å; K102-D207 WeakPolarHBondContact CE-OD1 3.42Å; K102-D207 IonicContact NZ-OD1 2.72Å; K102-D207 PolarHBondContact NZ-OD1 3.17Å; K102-D207 IonicContact NZ-OD2 2.72Å; K102-D207 PolarHBondContact NZ-OD2 3.04Å; Y105-D207 HydrophobicContact CD1-CB 4.21Å; A106-D207 PolarHBondContact O-N 3.48Å; D207-H348 IonicContact OD1-CE1 3.22Å; D207-H348 PolarHBondContact OD1-CE1 3.43Å; D207-H348 VanDerWaalsContact OD1-CE1 3.28Å; D207-H348 IonicContact OD1-ND1 2.64Å
208V93.5Very high93.7Very high9 Ų943.9 Ų43.96%0.05522%0.222CC..EExtended strand (participates in β ladder)trans-93.7129.8178.7-177.40000110.6Y105 A106 L108 V177 F205 D206 F212Y105-V208 WeakPolarHBondContact CA-O 3.41Å; A106-V208 PolarHBondContact N-O 3.29Å; A106-V208 PolarHBondContact O-N 3.09Å; L108-V208 HydrophobicContact CB-CB 4.33Å; L108-V208 HydrophobicContact CB-CG1 4.38Å; L108-V208 HydrophobicContact CB-CG2 4.01Å; L108-V208 HydrophobicContact CD2-CG1 4.39Å; V177-V208 HydrophobicContact CG1-CG1 4.31Å; V177-V208 HydrophobicContact CG1-CG2 4.1Å; F205-V208 HydrophobicContact CB-CG2 3.76Å; D206-V208 PolarHBondContact O-N 2.89Å; V208-F212 HydrophobicContact CG1-CB 3.4Å; V208-F212 HydrophobicContact CG1-CD1 3.94Å; V208-F212 HydrophobicContact CG1-CD2 4.48Å; V208-F212 HydrophobicContact CG1-CG 3.68Å
209T94.4Very high93.7Very high57 Ų5741.2 Ų41.235%0.3521%0.209SC..EExtended strand (participates in β ladder)trans-84.6165.917458.90000111.4Y105 E211 F212Y105-T209 HydrophobicContact CD1-CG2 3.98Å; Y105-T209 HydrophobicContact CE1-CG2 3.69Å; T209-E211 PolarHBondContact O-N 2.98Å; T209-F212 WeakPolarHBondContact O-CB 3.43Å; T209-F212 WeakPolarHBondContact O-CD1 3.28Å; T209-F212 PolarHBondContact O-N 3.36Å
210S93.1Very high93.7Very high31 Ų3141.2 Ų41.222%0.21721%0.209CC..THydrogen-bonded Turntrans-64.2-17.6176.951.80000114.8F212S210-F212 PolarHBondContact O-N 3.48Å
211E94.4Very high94Very high176 Ų17637 Ų3782%0.82219%0.185SC*.THydrogen-bonded Turntrans-86.816.3178.2-60179.9172.200113.1T209T209-E211 PolarHBondContact O-N 2.98Å
212F95.4Very high93.8Very high15 Ų1538.1 Ų38.17%0.06619%0.193CC..  trans-67.4151.1-17578.2-86.8000113.6L108 V208 T209 S210 C214 T276 L277 V280 L343 W853L108-F212 HydrophobicContact CD1-CE1 4.14Å; L108-F212 HydrophobicContact CD1-CE2 4.04Å; L108-F212 HydrophobicContact CD1-CZ 3.74Å; L108-F212 HydrophobicContact CD2-CD2 3.75Å; L108-F212 HydrophobicContact CD2-CE2 3.68Å; L108-F212 HydrophobicContact CD2-CG 4.39Å; L108-F212 HydrophobicContact CD2-CZ 4.24Å; V208-F212 HydrophobicContact CG1-CB 3.4Å; V208-F212 HydrophobicContact CG1-CD1 3.94Å; V208-F212 HydrophobicContact CG1-CD2 4.48Å; V208-F212 HydrophobicContact CG1-CG 3.68Å; T209-F212 WeakPolarHBondContact O-CB 3.43Å; T209-F212 WeakPolarHBondContact O-CD1 3.28Å; T209-F212 PolarHBondContact O-N 3.36Å; S210-F212 PolarHBondContact O-N 3.48Å; F212-C214 HydrophobicContact CD2-CB 4.17Å; F212-C214 HydrophobicContact CE2-CB 4.05Å; F212-T276 VanDerWaalsContact CZ-C 3.43Å; F212-T276 WeakPolarHBondContact CZ-O 3.41Å; F212-L277 HydrophobicContact CE1-CB 4.32Å; F212-L277 HydrophobicContact CE1-CD1 4.47Å; F212-V280 HydrophobicContact CE1-CG2 4.02Å; F212-V280 HydrophobicContact CZ-CG2 3.67Å; F212-L343 HydrophobicContact CE2-CD2 4.08Å; F212-L343 HydrophobicContact CZ-CD2 4.06Å; F212-W853 HydrophobicContact CD1-CH2 4.2Å; F212-W853 HydrophobicContact CD1-CZ3 4.44Å; F212-W853 HydrophobicContact CE1-CH2 4.26Å; F212-W853 HydrophobicContact CE1-CZ3 4.05Å
213E96.5Very high93Very high83 Ų8338.1 Ų38.139%0.38819%0.193SC..  trans-117.5125.9160.5-63.2-178.3118.400108.4I215 V274 K302E213-I215 HydrophobicContact CB-CG1 4.37Å; E213-V274 HydrophobicContact CB-CG1 4.08Å; E213-V274 HydrophobicContact CG-CG1 4.23Å; E213-K302 IonicContact OE1-NZ 3.18Å; E213-K302 PolarHBondContact OE1-NZ 2.92Å; E213-K302 IonicContact OE2-NZ 3.56Å; E213-K302 PolarHBondContact OE2-NZ 2.73Å
214C97.4Very high91.8Very high0 Ų038.7 Ų38.70%020%0.204CC..EExtended strand (participates in β ladder)trans-103.8100.9169-179.80000107.9L108 Q176 V177 F212 A275L108-C214 HydrophobicContact CD2-CB 4.35Å; Q176-C214 CarbonylContact O-C 3.57Å; Q176-C214 WeakPolarHBondContact O-CA 3.46Å; V177-C214 HydrophobicContact CG2-CB 3.91Å; F212-C214 HydrophobicContact CD2-CB 4.17Å; F212-C214 HydrophobicContact CE2-CB 4.05Å; C214-A275 HydrophobicContact CB-CB 4.13Å; C214-A275 PolarHBondContact N-O 2.69Å; C214-A275 PolarHBondContact O-N 3.38Å
215I97.4Very high89.9Confident18 Ų1839.2 Ų39.29%0.09221%0.214CC..EExtended strand (participates in β ladder)trans-91.3120.8-176.9-52.4173.6000108.1I175 Q176 E213 E217 R272 C273 V274I175-I215 CarbonylContact C-O 3.53Å; I175-I215 WeakPolarHBondContact CA-O 3.31Å; Q176-I215 HydrophobicContact CB-CB 4.37Å; Q176-I215 PolarHBondContact N-O 3.17Å; Q176-I215 PolarHBondContact O-N 3.27Å; E213-I215 HydrophobicContact CB-CG1 4.37Å; I215-E217 HydrophobicContact CG2-CG 4.07Å; I215-R272 HydrophobicContact CG2-CG 4.31Å; I215-C273 WeakPolarHBondContact CA-O 2.98Å; I215-V274 HydrophobicContact CG1-CG1 4.44Å; I215-V274 HydrophobicContact CG1-CG2 4.47Å
216I97.5Very high87.6Confident0 Ų041.2 Ų41.20%023%0.229CC..EExtended strand (participates in β ladder)trans-108.1116.3174.6-51.4172.4000107.5L110 C173 T174 R272 C273 I339 Y341L110-I216 HydrophobicContact CD1-CD1 4.22Å; L110-I216 HydrophobicContact CD2-CD1 3.81Å; L110-I216 HydrophobicContact CD2-CG1 4.14Å; C173-I216 HydrophobicContact CB-CG2 4.24Å; T174-I216 WeakPolarHBondContact O-CA 3.41Å; I216-R272 CarbonylContact O-C 3.53Å; I216-R272 WeakPolarHBondContact O-CA 3.26Å; I216-C273 HydrophobicContact CB-CB 4.35Å; I216-C273 PolarHBondContact N-O 3Å; I216-C273 PolarHBondContact O-N 3.1Å; I216-I339 HydrophobicContact CD1-CD1 4.43Å; I216-I339 HydrophobicContact CG2-CD1 3.89Å; I216-Y341 HydrophobicContact CD1-CD1 3.9Å; I216-Y341 HydrophobicContact CD1-CE1 3.93Å; I216-Y341 HydrophobicContact CD1-CG 4.4Å
217E96.1Very high85.4Confident33 Ų3345.4 Ų45.415%0.15424%0.244CC..EExtended strand (participates in β ladder)trans-113133177.3-75.5179.6173.700109.6C173 T174 I215 Y219 L269 R272C173-E217 CarbonylContact C-O 3.57Å; C173-E217 WeakPolarHBondContact CA-O 3.46Å; C173-E217 WeakPolarHBondContact CB-O 3.27Å; T174-E217 PolarHBondContact N-O 2.94Å; T174-E217 PolarHBondContact O-N 2.95Å; I215-E217 HydrophobicContact CG2-CG 4.07Å; E217-Y219 HydrophobicContact CB-CD2 4.37Å; E217-Y219 HydrophobicContact CB-CE2 3.73Å; E217-Y219 PolarHBondContact OE2-OH 3.08Å; E217-Y219 VanDerWaalsContact OE2-OH 3.11Å; E217-L269 HydrophobicContact CB-CD1 3.7Å; E217-L269 HydrophobicContact CG-CD1 3.98Å; E217-R272 HydrophobicContact CG-CB 4.35Å; E217-R272 HydrophobicContact CG-CG 3.91Å; E217-R272 IonicContact OE1-NE 2.73Å
218I96Very high82.8Confident0 Ų047.7 Ų47.70%026%0.256CS..EExtended strand (participates in β ladder)trans-105.6119.6-175.4-55.5173.6000108.7I115 L171 I270 G271 L289 I339I115-I218 HydrophobicContact CD1-CD1 3.88Å; I115-I218 HydrophobicContact CD1-CG1 4.17Å; I115-I218 HydrophobicContact CD1-CG2 4.19Å; I115-I218 HydrophobicContact CG1-CD1 4.23Å; I115-I218 HydrophobicContact CG2-CD1 4.44Å; L171-I218 HydrophobicContact CD1-CG2 3.47Å; L171-I218 VanDerWaalsContact CD1-CG2 3.47Å; L171-I218 HydrophobicContact CD2-CG2 4.23Å; L171-I218 HydrophobicContact CG-CG2 3.91Å; I218-I270 HydrophobicContact CB-CG1 4.23Å; I218-I270 HydrophobicContact CG2-CD1 3.98Å; I218-I270 HydrophobicContact CG2-CG1 3.79Å; I218-I270 WeakPolarHBondContact O-CG1 3.28Å; I218-I270 PolarHBondContact O-N 2.92Å; I218-G271 PolarHBondContact N-O 2.98Å; I218-L289 HydrophobicContact CD1-CD1 3.69Å; I218-L289 HydrophobicContact CD1-CD2 3.62Å; I218-L289 HydrophobicContact CD1-CG 4.34Å; I218-I339 HydrophobicContact CD1-CD1 4.39Å
219Y94.8Very high79.8Confident25 Ų2554.5 Ų54.510%0.09829%0.292CS..EExtended strand (participates in β ladder)trans-113.6127.7-176.9-75.7-81.8000110.7L51 L171 F172 T174 E217 F267 D268 L269L51-Y219 HydrophobicContact CD1-CD1 3.99Å; L51-Y219 HydrophobicContact CD1-CE1 4.09Å; L51-Y219 HydrophobicContact CD2-CE1 4.39Å; L51-Y219 HydrophobicContact CD2-CE2 4.42Å; L171-Y219 VanDerWaalsContact CA-O 3.29Å; L171-Y219 WeakPolarHBondContact CA-O 3.47Å; F172-Y219 HydrophobicContact CE1-CG 4.35Å; F172-Y219 HydrophobicContact CE2-CD2 4.14Å; F172-Y219 HydrophobicContact CE2-CG 4.38Å; F172-Y219 HydrophobicContact CZ-CD2 4.15Å; F172-Y219 AromaticContact CZ-CG 3.95Å; F172-Y219 HydrophobicContact CZ-CG 3.95Å; F172-Y219 PolarHBondContact N-O 3.17Å; F172-Y219 PolarHBondContact O-N 2.84Å; T174-Y219 HydrophobicContact CG2-CD2 4.18Å; T174-Y219 HydrophobicContact CG2-CE2 4.05Å; E217-Y219 HydrophobicContact CB-CD2 4.37Å; E217-Y219 HydrophobicContact CB-CE2 3.73Å; E217-Y219 PolarHBondContact OE2-OH 3.08Å; E217-Y219 VanDerWaalsContact OE2-OH 3.11Å; Y219-F267 HydrophobicContact CD1-CB 4.3Å; Y219-D268 CarbonylContact C-O 3.55Å; Y219-D268 VanDerWaalsContact CA-O 3.29Å; Y219-D268 WeakPolarHBondContact CA-O 3.28Å; Y219-L269 HydrophobicContact CD1-CB 4.31Å; Y219-L269 HydrophobicContact CE1-CB 3.9Å; Y219-L269 HydrophobicContact CE1-CD1 4.27Å; Y219-L269 HydrophobicContact CE2-CD1 4.28Å
220A94.1Very high76.8Confident0 Ų055.9 Ų55.90%030%0.304CS..EExtended strand (participates in β ladder)trans-133.4147.8-177.200000113.8S170 L171 F267 D268 I270 C331 L333S170-A220 CarbonylContact O-C 3.53Å; S170-A220 VanDerWaalsContact O-CA 3.25Å; S170-A220 WeakPolarHBondContact O-CA 3.44Å; L171-A220 HydrophobicContact CB-CB 4.47Å; L171-A220 HydrophobicContact CD1-CB 4.37Å; A220-F267 CarbonylContact O-C 3.49Å; A220-F267 WeakPolarHBondContact O-CA 3.19Å; A220-D268 PolarHBondContact N-O 2.98Å; A220-D268 PolarHBondContact O-N 3.31Å; A220-I270 HydrophobicContact CB-CD1 3.53Å; A220-I270 HydrophobicContact CB-CG1 3.95Å; A220-I270 HydrophobicContact CB-CG2 4.06Å; A220-C331 HydrophobicContact CB-CB 4.5Å; A220-L333 HydrophobicContact CB-CD2 4.35Å
221F91Very high73.9Confident25 Ų2561.3 Ų61.311%0.1133%0.33CS..EExtended strand (participates in β ladder)trans-106.9129.3171.9-179.2-116.9000108.8L44 Y169 S170 G225 Y266 F267L44-F221 HydrophobicContact CD1-CB 4.46Å; L44-F221 HydrophobicContact CD1-CD1 3.53Å; L44-F221 HydrophobicContact CD1-CE1 3.95Å; L44-F221 HydrophobicContact CD1-CG 4.17Å; L44-F221 HydrophobicContact CD2-CB 4.45Å; L44-F221 HydrophobicContact CD2-CD1 3.84Å; L44-F221 HydrophobicContact CD2-CD2 4.15Å; L44-F221 HydrophobicContact CD2-CE1 3.98Å; L44-F221 HydrophobicContact CD2-CE2 4.27Å; L44-F221 HydrophobicContact CD2-CG 3.9Å; L44-F221 HydrophobicContact CD2-CZ 4.17Å; L44-F221 HydrophobicContact CG-CD1 4.33Å; L44-F221 HydrophobicContact CG-CE1 4.49Å; Y169-F221 WeakPolarHBondContact CA-O 3.28Å; S170-F221 PolarHBondContact N-O 2.86Å; S170-F221 VanDerWaalsContact N-O 3.17Å; S170-F221 PolarHBondContact O-N 3.42Å; F221-G225 VanDerWaalsContact CZ-CA 3.45Å; F221-Y266 WeakPolarHBondContact CB-O 3.39Å; F221-Y266 WeakPolarHBondContact CD2-O 3.09Å; F221-Y266 HydrophobicContact CE2-CD1 4.36Å; F221-F267 HydrophobicContact CB-CD1 4.08Å; F221-F267 HydrophobicContact CB-CE1 3.95Å
222P83.9Confident70.9Confident39 Ų3960.4 Ų60.425%0.25332%0.324SS..  trans-66.6155.3-176.926.5-35000113C331P222-C331 HydrophobicContact CB-CB 4.32Å
223K75.2Confident67.8Low97 Ų9764.5 Ų64.542%0.42235%0.354SS..SBendtrans-59.9141.5174161.3169178.5117.90111.4D167 Y169D167-K223 WeakPolarHBondContact O-CD 3.16Å; D167-K223 VanDerWaalsContact O-CE 3.25Å; D167-K223 WeakPolarHBondContact O-CE 3.41Å; D167-K223 VanDerWaalsContact O-CG 3.23Å; D167-K223 WeakPolarHBondContact O-CG 3.4Å; D167-K223 PolarHBondContact O-NZ 3.27Å; Y169-K223 HydrophobicContact CD1-CB 4.34Å; Y169-K223 HydrophobicContact CD2-CB 4.08Å; Y169-K223 HydrophobicContact CE1-CB 4.12Å; Y169-K223 HydrophobicContact CE2-CB 3.84Å; Y169-K223 HydrophobicContact CG-CB 4.31Å
224G66.2Low64.6Low29 Ų2970 Ų7030%0.29938%0.377SS..SBendtrans69.953.3173.800000111.7C166 S226C166-G224 PolarHBondContact O-N 2.82Å; G224-S226 PolarHBondContact O-N 3.41Å
225G54.4Low61.3Low37 Ų3780.7 Ų80.738%0.38142%0.417SS..  trans-64.945.4-166.700000118F221F221-G225 VanDerWaalsContact CZ-CA 3.45Å
226S45.6Very low57.9Low45 Ų4590.2 Ų90.232%0.31545%0.452SS..  trans-142.341178-176.60000111.5G224 N228 N229G224-S226 PolarHBondContact O-N 3.41Å; S226-N228 VanDerWaalsContact C-N 3.32Å; S226-N228 PolarHBondContact O-N 3.13Å; S226-N229 PolarHBondContact OG-ND2 3.2Å
227K45.9Very low54.8Low159 Ų15995.5 Ų95.569%0.69148%0.479SS*.THydrogen-bonded Turntrans-66.297.1157.8-73.9-176.4177.1175.60107.6E329K227-E329 IonicContact NZ-OE2 2.66Å; K227-E329 PolarHBondContact NZ-OE2 2.92Å
228N35.2Very low51.5Low124 Ų12498.6 Ų98.666%0.66350%0.496SS*.THydrogen-bonded Turntrans88.870.1173.5-49.1-12.5000117.7S226 S230S226-N228 VanDerWaalsContact C-N 3.32Å; S226-N228 PolarHBondContact O-N 3.13Å; N228-S230 PolarHBondContact O-N 2.91Å
229N31.5Very low48.3Very low151 Ų151103.9 Ų103.981%0.80753%0.53SS*.THydrogen-bonded Turntrans-68.751.5151.3-90.8-16.3000111.9S226S226-N229 PolarHBondContact OG-ND2 3.2Å
230S31.6Very low45.3Very low87 Ų87107 Ų10761%0.60855%0.548SS*.THydrogen-bonded Turntrans-112.7-22.8-177.867.80000115.8N228N228-S230 PolarHBondContact O-N 2.91Å
231L31.7Very low42.1Very low145 Ų145116.4 Ų116.476%0.75959%0.585SS**SBendtrans-140.1-4.7-177.3-75178.4000117.7S233L231-S233 VanDerWaalsContact C-N 3.29Å; L231-S233 PolarHBondContact O-N 2.97Å; L231-S233 VanDerWaalsContact O-N 3.15Å
232F32.1Very low39.1Very low157 Ų157123.1 Ų123.169%0.68962%0.622SS**  trans-92.254.7178.6-65.2-66.1000113.6N262F232-N262 WeakPolarHBondContact CE1-ND2 3.23Å; F232-N262 WeakPolarHBondContact CZ-ND2 3.48Å
233S30Very low36.4Very low101 Ų101124.2 Ų124.271%0.70664%0.64SS**SBendtrans-126.8123.6165.2-142.60000109.9L231L231-S233 VanDerWaalsContact C-N 3.29Å; L231-S233 PolarHBondContact O-N 2.97Å; L231-S233 VanDerWaalsContact O-N 3.15Å
234K28.3Very low34.2Very low199 Ų199126.9 Ų126.987%0.86566%0.664SS**SBendtrans68.259.3168.8-50.5176.1-178.4174.40118.8
235R28.8Very low32.3Very low223 Ų223137.2 Ų137.284%0.84269%0.694SS**  trans-128.3131.3148.4-74.7-167.9176.11513.4112.4
236R26.9Very low31.1Very low219 Ų219147.1 Ų147.183%0.82672%0.72SS**  trans-74.4147.6-173.9-80.8177.7-94.8155.6-6.7111I259R236-I259 WeakPolarHBondContact O-CD1 3.39Å
237I30.5Very low30.3Very low110 Ų110150.5 Ų150.556%0.56474%0.743SS**  trans-85.5115.8-178.7-62164.7000109.7S35S35-I237 WeakPolarHBondContact OG-CD1 3.49Å
238L27.6Very low29.5Very low98 Ų98147.5 Ų147.551%0.51374%0.743SS.*  trans-139.6153.8164.7-91.4124.6000111.7
239P29.9Very low29.1Very low112 Ų112148.4 Ų148.473%0.72775%0.747SS**  trans-105.3141.5-162.737.6-29.5000113.8
240I31.5Very low29Very low90 Ų90150.6 Ų150.646%0.46275%0.753SS.*  trans-99.7122.7166.9-69.7177000110.9
241Y27.3Very low28.9Very low198 Ų198154.9 Ų154.978%0.77676%0.763SS**  trans-162.694.3145.7-119.8-77000110
242D27.6Very low28.6Very low165 Ų165154.1 Ų154.188%0.88276%0.764SS**  trans-169.8149.4152.6-91.5-31.7000105.7
243G27.5Very low28.4Very low62 Ų62152.3 Ų152.364%0.63977%0.766SS**  cis160.7128.8-0.900000108.2R245G243-R245 PolarHBondContact O-N 3.06Å
244V27.2Very low28.2Very low154 Ų154155.2 Ų155.293%0.93377%0.773SS**  trans-62.4109.9178.4172.20000109.9
245R28.3Very low28.1Very low246 Ų246150.9 Ų150.993%0.92877%0.768SS**  trans-157.5157.1160.4-110.5164.8-162.4-129.9-0111.9G243G243-R245 PolarHBondContact O-N 3.06Å
246R28.6Very low28.1Very low245 Ų245145.5 Ų145.593%0.92576%0.756SS**  trans-100.7163.1-166.8-58.3176.2177.7179.9-2.3112.2
247S28.6Very low28.4Very low115 Ų115139.8 Ų139.880%0.80475%0.75SS**  trans103.7124150.1-1490000118.3
248S28.5Very low28.5Very low97 Ų97138.9 Ų138.968%0.67875%0.753SS**  trans31.1125.6158.5-65.40000122.9
249D27.4Very low29.2Very low142 Ų142137.5 Ų137.576%0.75975%0.745SS**  36.3104.3129.9-50.5-32.1000119
250Q29.4Very low29.3Very low198 Ų198138 Ų13893%0.92574%0.742SS**  -167.5163.6106.1-101.1161.219.600113.1
251H29.5Very low29.6Very low177 Ų177141.7 Ų141.782%0.81976%0.757SS**  trans-95.8102.6-155.4-176.3-78.4000112.7
252V25.9Very low30.1Very low129 Ų129135.7 Ų135.778%0.78274%0.739SS**  trans-136.3129.9167.1-1770000110.9N254V252-N254 PolarHBondContact O-N 2.9Å
253V27.5Very low30.8Very low119 Ų119131.5 Ų131.572%0.72172%0.722SS**  trans-65.3122175.4176.40000110.4
254N25.2Very low31.9Very low161 Ų161132.2 Ų132.286%0.86172%0.717SS**  trans-157.8123.8154.4-98.1-37000111.3V252V252-N254 PolarHBondContact O-N 2.9Å
255S26.7Very low33.7Very low108 Ų108130.3 Ų130.376%0.75570%0.698SS**  trans-106.6105.3-176.454.50000111
256D29.4Very low36.4Very low111 Ų111121.9 Ų121.959%0.59467%0.667SS**  trans-154.691.6170.1-104.7-27000111.2
257S31.8Very low39.4Very low99 Ų99110.7 Ų110.769%0.69263%0.625SS**  trans-157.267.6177.267.70000116.1
258S33.2Very low42.3Very low91 Ų91107.6 Ų107.664%0.63660%0.6SS**  trans-161.641.7171.4690000116.8
259I41.5Very low45.4Very low69 Ų69104.5 Ų104.535%0.35458%0.575SS.*  trans-133.488178.3-53.2179.1000111.6R236R236-I259 WeakPolarHBondContact O-CD1 3.39Å
260N32.4Very low48.5Very low122 Ų12298.2 Ų98.265%0.65254%0.542SS*.SBendtrans-161.415.6167.7-105.9-24.9000115.4
261Q37.8Very low51.5Low168 Ų16888.8 Ų88.879%0.78550%0.498SS*.SBendtrans-123-7.8-174.4-71.1-176.2-10.400116.2S264Q261-S264 PolarHBondContact O-OG 3.48Å
262N37.2Very low54.7Low72 Ų7281 Ų8139%0.38546%0.461SS..G310 helixtrans-91.70.6-166.4-63.955.4000116.2F232 S264 Q265F232-N262 WeakPolarHBondContact CE1-ND2 3.23Å; F232-N262 WeakPolarHBondContact CZ-ND2 3.48Å; N262-S264 PolarHBondContact O-N 3.1Å; N262-Q265 PolarHBondContact ND2-OE1 3.43Å; N262-Q265 PolarHBondContact O-N 2.92Å
263S43Very low58Low76 Ų7675.2 Ų75.253%0.53143%0.426SS..G310 helixtrans-68.9-10.9178.955.20000114Q265S263-Q265 VanDerWaalsContact C-N 3.33Å
264S50.3Low61.4Low78 Ų7871.2 Ų71.255%0.54540%0.402SS..G310 helixtrans-78.4-7.1174.145.30000114.5Q261 N262Q261-S264 PolarHBondContact O-OG 3.48Å; N262-S264 PolarHBondContact O-N 3.1Å
265Q65.5Low64.8Low114 Ų11463.6 Ų63.653%0.53336%0.361SS..SBendtrans-90-5-170.6-68-175-60.600115.8N262 S263N262-Q265 PolarHBondContact ND2-OE1 3.43Å; N262-Q265 PolarHBondContact O-N 2.92Å; S263-Q265 VanDerWaalsContact C-N 3.33Å
266Y85.2Confident68.1Low69 Ų6960.5 Ų60.527%0.27134%0.337SS..SBendtrans-105.9-20.7-176.5-80.3-78000115.3L34 L44 A47 F221L34-Y266 HydrophobicContact CD1-CE1 4.34Å; L34-Y266 HydrophobicContact CD1-CE2 4.09Å; L34-Y266 HydrophobicContact CD2-CD2 4.43Å; L34-Y266 HydrophobicContact CD2-CE2 3.88Å; L34-Y266 HydrophobicContact CG-CE2 4.37Å; L44-Y266 HydrophobicContact CD2-CD1 3.85Å; L44-Y266 HydrophobicContact CD2-CE1 4.48Å; A47-Y266 HydrophobicContact CB-CD1 3.98Å; A47-Y266 HydrophobicContact CB-CD2 3.96Å; A47-Y266 HydrophobicContact CB-CG 3.62Å; F221-Y266 WeakPolarHBondContact CB-O 3.39Å; F221-Y266 WeakPolarHBondContact CD2-O 3.09Å; F221-Y266 HydrophobicContact CE2-CD1 4.36Å
267F91.6Very high71.3Confident10 Ų1057.7 Ų57.74%0.04432%0.322CS..  trans-152.7117.6-176.9-73.9-76.6000110.3L44 A47 K48 L51 F172 L186 Y219 A220 F221L44-F267 HydrophobicContact CB-CZ 4.2Å; L44-F267 HydrophobicContact CD2-CE2 4.47Å; L44-F267 HydrophobicContact CD2-CZ 4.29Å; A47-F267 HydrophobicContact CB-CD2 4.44Å; A47-F267 HydrophobicContact CB-CE2 4.02Å; K48-F267 HydrophobicContact CB-CE2 3.97Å; K48-F267 HydrophobicContact CB-CZ 4.28Å; L51-F267 HydrophobicContact CD1-CB 3.98Å; F172-F267 HydrophobicContact CD1-CD1 4.04Å; F172-F267 AromaticContact CD1-CE1 3.82Å; F172-F267 HydrophobicContact CD1-CE1 3.82Å; F172-F267 HydrophobicContact CD1-CZ 4.11Å; F172-F267 HydrophobicContact CE1-CB 4.39Å; F172-F267 AromaticContact CE1-CD1 3.65Å; F172-F267 HydrophobicContact CE1-CD1 3.65Å; F172-F267 AromaticContact CE1-CD2 3.87Å; F172-F267 HydrophobicContact CE1-CD2 3.87Å; F172-F267 AromaticContact CE1-CE1 3.78Å; F172-F267 HydrophobicContact CE1-CE1 3.78Å; F172-F267 AromaticContact CE1-CE2 3.99Å; F172-F267 HydrophobicContact CE1-CE2 3.99Å; F172-F267 AromaticContact CE1-CG 3.71Å; F172-F267 HydrophobicContact CE1-CG 3.71Å; F172-F267 AromaticContact CE1-CZ 3.94Å; F172-F267 HydrophobicContact CE1-CZ 3.94Å; L186-F267 HydrophobicContact CD1-CE1 3.98Å; L186-F267 HydrophobicContact CD1-CZ 3.84Å; Y219-F267 HydrophobicContact CD1-CB 4.3Å; A220-F267 CarbonylContact O-C 3.49Å; A220-F267 WeakPolarHBondContact O-CA 3.19Å; F221-F267 HydrophobicContact CB-CD1 4.08Å; F221-F267 HydrophobicContact CB-CE1 3.95Å
268D90.1Very high74.2Confident50 Ų5062.2 Ų62.227%0.26733%0.329SS..EExtended strand (participates in β ladder)trans-83.2141.7171.8-64.4-31.8000109.9Y219 A220 I270 C331Y219-D268 CarbonylContact C-O 3.55Å; Y219-D268 VanDerWaalsContact CA-O 3.29Å; Y219-D268 WeakPolarHBondContact CA-O 3.28Å; A220-D268 PolarHBondContact N-O 2.98Å; A220-D268 PolarHBondContact O-N 3.31Å; D268-I270 HydrophobicContact CB-CG2 4.09Å; D268-I270 PolarHBondContact O-N 2.12Å; D268-C331 HydrophobicContact CB-CB 4.02Å; D268-C331 WeakPolarHBondContact OD2-CB 3.49Å; D268-C331 PolarHBondContact OD2-N 3.29Å
269L92.6Very high77.2Confident32 Ų3259.3 Ų59.317%0.16831%0.307CS..EExtended strand (participates in β ladder)trans-75.9106.8165.217663.1000107.7E217 Y219 G271 L295E217-L269 HydrophobicContact CB-CD1 3.7Å; E217-L269 HydrophobicContact CG-CD1 3.98Å; Y219-L269 HydrophobicContact CD1-CB 4.31Å; Y219-L269 HydrophobicContact CE1-CB 3.9Å; Y219-L269 HydrophobicContact CE1-CD1 4.27Å; Y219-L269 HydrophobicContact CE2-CD1 4.28Å; L269-G271 WeakPolarHBondContact CD1-O 3.39Å; L269-L295 HydrophobicContact CD2-CD2 4.35Å; L269-L295 HydrophobicContact CG-CD1 4.39Å; L269-L295 HydrophobicContact CG-CD2 4.31Å; L269-L295 WeakPolarHBondContact O-CD1 3.37Å
270I92.2Very high79.7Confident10 Ų1057.6 Ų57.65%0.05130%0.3CS..EExtended strand (participates in β ladder)trans-101.4-17.3-175.761161.1000113.8L171 I218 A220 D268 I330 C331 L333 L335L171-I270 HydrophobicContact CD1-CD1 4.1Å; I218-I270 HydrophobicContact CB-CG1 4.23Å; I218-I270 HydrophobicContact CG2-CD1 3.98Å; I218-I270 HydrophobicContact CG2-CG1 3.79Å; I218-I270 WeakPolarHBondContact O-CG1 3.28Å; I218-I270 PolarHBondContact O-N 2.92Å; A220-I270 HydrophobicContact CB-CD1 3.53Å; A220-I270 HydrophobicContact CB-CG1 3.95Å; A220-I270 HydrophobicContact CB-CG2 4.06Å; D268-I270 HydrophobicContact CB-CG2 4.09Å; D268-I270 PolarHBondContact O-N 2.12Å; I270-I330 HydrophobicContact CG2-CG2 4.08Å; I270-C331 HydrophobicContact CG2-CB 3.82Å; I270-L333 HydrophobicContact CD1-CB 4.17Å; I270-L333 HydrophobicContact CD1-CD2 3.77Å; I270-L333 HydrophobicContact CD1-CG 4.49Å; I270-L335 HydrophobicContact CD1-CD1 3.88Å; I270-L335 HydrophobicContact CD1-CD2 3.93Å; I270-L335 HydrophobicContact CD1-CG 4.03Å; I270-L335 HydrophobicContact CG1-CD1 4.17Å
271G93.6Very high82.4Confident0 Ų054 Ų540%028%0.279CS..EExtended strand (participates in β ladder)trans-162.2153.2-179.900000113I218 L269 E290I218-G271 PolarHBondContact N-O 2.98Å; L269-G271 WeakPolarHBondContact CD1-O 3.39Å; G271-E290 CarbonylContact C-O 3.51Å; G271-E290 WeakPolarHBondContact CA-O 3.45Å
272R95.9Very high84.9Confident14 Ų1448.5 Ų48.55%0.05326%0.255CS..EExtended strand (participates in β ladder)trans-143.8142.4179.7180175.1177.1-76.6-9.9111.5I215 I216 E217 V274 E290 L295 S298I215-R272 HydrophobicContact CG2-CG 4.31Å; I216-R272 CarbonylContact O-C 3.53Å; I216-R272 WeakPolarHBondContact O-CA 3.26Å; E217-R272 HydrophobicContact CG-CB 4.35Å; E217-R272 HydrophobicContact CG-CG 3.91Å; E217-R272 IonicContact OE1-NE 2.73Å; R272-V274 VanDerWaalsContact CZ-CG2 3.44Å; R272-V274 VanDerWaalsContact NH1-CG2 3.26Å; R272-E290 HydrophobicContact CB-CB 4.22Å; R272-E290 IonicContact CZ-OE2 3.97Å; R272-E290 PolarHBondContact N-O 2.83Å; R272-E290 IonicContact NH1-OE1 3.82Å; R272-E290 PolarHBondContact NH1-OE1 3.34Å; R272-E290 IonicContact NH1-OE2 2.7Å; R272-E290 PolarHBondContact NH1-OE2 3.36Å; R272-E290 WeakPolarHBondContact O-CB 3.48Å; R272-E290 PolarHBondContact O-N 3.39Å; R272-L295 HydrophobicContact CB-CD2 3.5Å; R272-L295 VanDerWaalsContact CB-CD2 3.5Å; R272-S298 PolarHBondContact NH1-OG 3.47Å
273C96.3Very high87.5Confident6 Ų651.2 Ų51.24%0.04126%0.263CS..EExtended strand (participates in β ladder)trans-131.6146.5172.9-166.40000109.2I215 I216 L289 I339I215-C273 WeakPolarHBondContact CA-O 2.98Å; I216-C273 HydrophobicContact CB-CB 4.35Å; I216-C273 PolarHBondContact N-O 3Å; I216-C273 PolarHBondContact O-N 3.1Å; C273-L289 HydrophobicContact CB-CD2 4.04Å; C273-I339 HydrophobicContact CB-CG2 3.88Å
274V97.1Very high89.9Confident36 Ų3650.2 Ų50.222%0.21825%0.254CS..EExtended strand (participates in β ladder)trans-123.8109.8172.4-173.40000108.2E213 I215 R272E213-V274 HydrophobicContact CB-CG1 4.08Å; E213-V274 HydrophobicContact CG-CG1 4.23Å; I215-V274 HydrophobicContact CG1-CG1 4.44Å; I215-V274 HydrophobicContact CG1-CG2 4.47Å; R272-V274 VanDerWaalsContact CZ-CG2 3.44Å; R272-V274 VanDerWaalsContact NH1-CG2 3.26Å
275A97.1Very high92Very high0 Ų047.4 Ų47.40%023%0.234CC..EExtended strand (participates in β ladder)trans-91.5142.4172.900000110.3C214 D279 Y341 L343C214-A275 HydrophobicContact CB-CB 4.13Å; C214-A275 PolarHBondContact N-O 2.69Å; C214-A275 PolarHBondContact O-N 3.38Å; A275-D279 HydrophobicContact CB-CB 4.09Å; A275-Y341 HydrophobicContact CB-CE2 4.09Å; A275-Y341 WeakPolarHBondContact CB-OH 3.45Å; A275-L343 HydrophobicContact CB-CD2 3.66Å
276T96.7Very high93.5Very high43 Ų4345.2 Ų45.226%0.26423%0.231SC..  trans-128.5-176.2-178.166.20000110F212 K278 D279F212-T276 VanDerWaalsContact CZ-C 3.43Å; F212-T276 WeakPolarHBondContact CZ-O 3.41Å; T276-K278 PolarHBondContact O-N 3.01Å; T276-K278 VanDerWaalsContact O-N 3.12Å; T276-K278 PolarHBondContact OG1-N 3.41Å; T276-D279 PolarHBondContact N-OD2 3.41Å; T276-D279 WeakPolarHBondContact O-CB 3.27Å; T276-D279 PolarHBondContact O-N 3.04Å; T276-D279 PolarHBondContact OG1-OD2 3.24Å
277L95.3Very high94.1Very high53 Ų5343.1 Ų43.128%0.27722%0.224SC..G310 helixtrans-51.5-31.5171.5-175.464.3000113.7F212 D279 V280 I852 W853F212-L277 HydrophobicContact CE1-CB 4.32Å; F212-L277 HydrophobicContact CE1-CD1 4.47Å; L277-D279 PolarHBondContact O-N 3.41Å; L277-V280 WeakPolarHBondContact O-CB 3.5Å; L277-V280 PolarHBondContact O-N 3.16Å; L277-I852 HydrophobicContact CD2-CG2 4.02Å; L277-W853 HydrophobicContact CD1-CD2 4.26Å; L277-W853 HydrophobicContact CD1-CE3 3.44Å; L277-W853 VanDerWaalsContact CD1-CE3 3.44Å; L277-W853 HydrophobicContact CD1-CH2 4.44Å; L277-W853 HydrophobicContact CD1-CZ3 3.54Å
278K94.4Very high94.2Very high193 Ų19347.9 Ų47.984%0.83925%0.254SS*.G310 helixtrans-68.3-20.9179.8-63.2176.2-177.9172.70113.6T276T276-K278 PolarHBondContact O-N 3.01Å; T276-K278 VanDerWaalsContact O-N 3.12Å; T276-K278 PolarHBondContact OG1-N 3.41Å
279D95Very high94.4Very high31 Ų3145.7 Ų45.717%0.16624%0.242CC..G310 helixtrans-95.1-4.6-175.1-53.4-70.7000111.9A275 T276 L277 Q281 H287 L343A275-D279 HydrophobicContact CB-CB 4.09Å; T276-D279 PolarHBondContact N-OD2 3.41Å; T276-D279 WeakPolarHBondContact O-CB 3.27Å; T276-D279 PolarHBondContact O-N 3.04Å; T276-D279 PolarHBondContact OG1-OD2 3.24Å; L277-D279 PolarHBondContact O-N 3.41Å; D279-Q281 PolarHBondContact O-N 3.42Å; D279-H287 VanDerWaalsContact CA-CE1 3.45Å; D279-H287 WeakPolarHBondContact CA-CE1 3.48Å; D279-H287 WeakPolarHBondContact CB-CE1 3.17Å; D279-H287 VanDerWaalsContact CG-CE1 3.41Å; D279-H287 IonicContact OD1-CE1 2.75Å; D279-H287 PolarHBondContact OD1-CE1 3.15Å; D279-H287 IonicContact OD1-ND1 2.72Å; D279-H287 PolarHBondContact OD1-ND1 3.04Å; D279-L343 HydrophobicContact CB-CD2 4.32Å
280V93.7Very high94.4Very high33 Ų3346.3 Ų46.320%0.224%0.244CC..  trans-72.9118.3178.5179.90000110.5F212 L277 L343 A345F212-V280 HydrophobicContact CE1-CG2 4.02Å; F212-V280 HydrophobicContact CZ-CG2 3.67Å; L277-V280 WeakPolarHBondContact O-CB 3.5Å; L277-V280 PolarHBondContact O-N 3.16Å; V280-L343 CarbonylContact C-O 3.58Å; V280-L343 WeakPolarHBondContact CA-O 3.32Å; V280-L343 HydrophobicContact CG2-CD2 4.13Å; V280-L343 HydrophobicContact CG2-CG 4.33Å; V280-A345 HydrophobicContact CG1-CB 3.85Å; V280-A345 HydrophobicContact CG2-CB 4.37Å
281Q90.6Very high94.2Very high47 Ų4749 Ų4922%0.2226%0.258CS..EExtended strand (participates in β ladder)trans-163.2145.4177.756.7-160.3-49.200111.3D279 K283 S285 L343D279-Q281 PolarHBondContact O-N 3.42Å; Q281-K283 HydrophobicContact CB-CG 4.26Å; Q281-K283 HydrophobicContact CG-CG 3.9Å; Q281-K283 PolarHBondContact O-N 3.43Å; Q281-S285 VanDerWaalsContact NE2-CB 3.3Å; Q281-S285 PolarHBondContact NE2-OG 3.07Å; Q281-S285 VanDerWaalsContact NE2-OG 3.08Å; Q281-L343 PolarHBondContact N-O 3.18Å
282N89Confident93.5Very high52 Ų5250.7 Ų50.728%0.27827%0.274SS..EExtended strand (participates in β ladder)trans-78.638.4179.9-162.56.9000113.7I344 E856N282-I344 WeakPolarHBondContact OD1-CD1 3.22Å; N282-E856 WeakPolarHBondContact CB-OE1 3.47Å
283K91.4Very high92.2Very high128 Ų12856.3 Ų56.356%0.55731%0.306SS*.EExtended strand (participates in β ladder)trans-146158.1176.963.6179.4178.6-178.50111.2Q281Q281-K283 HydrophobicContact CB-CG 4.26Å; Q281-K283 HydrophobicContact CG-CG 3.9Å; Q281-K283 PolarHBondContact O-N 3.43Å
284V94.1Very high91Very high56 Ų5661.5 Ų61.534%0.33933%0.329SS..EExtended strand (participates in β ladder)trans-72135.2169.3-177.20000108.6D112 C340 Y341 R342D112-V284 HydrophobicContact CB-CG2 3.81Å; V284-C340 HydrophobicContact CG1-CB 4.14Å; V284-Y341 WeakPolarHBondContact CA-O 3.32Å; V284-R342 HydrophobicContact CG2-CB 4.02Å
285S95.4Very high90Very high18 Ų1860.7 Ų60.713%0.12632%0.323CS..EExtended strand (participates in β ladder)trans-137.8151.6-176.145.30000109.9Q281 H287 C340 Y341Q281-S285 VanDerWaalsContact NE2-CB 3.3Å; Q281-S285 PolarHBondContact NE2-OG 3.07Å; Q281-S285 VanDerWaalsContact NE2-OG 3.08Å; S285-H287 WeakPolarHBondContact CB-NE2 3.49Å; S285-H287 PolarHBondContact O-CD2 3.42Å; S285-H287 VanDerWaalsContact O-CD2 3.3Å; S285-H287 PolarHBondContact O-NE2 3.38Å; S285-H287 PolarHBondContact OG-NE2 3.41Å; S285-C340 CarbonylContact O-C 3.59Å; S285-C340 WeakPolarHBondContact O-CA 3.13Å; S285-Y341 PolarHBondContact N-O 2.93Å; S285-Y341 PolarHBondContact O-N 3.28Å; S285-Y341 PolarHBondContact OG-O 2.76Å
286S96.8Very high88.1Confident68 Ų6865.1 Ų65.148%0.47635%0.351SS..EExtended strand (participates in β ladder)trans-96.2133.2178.1178.50000110N338S286-N338 WeakPolarHBondContact OG-CB 3.47Å; S286-N338 PolarHBondContact OG-ND2 3.47Å
287H96.7Very high85.7Confident25 Ų2570.9 Ų70.912%0.11637%0.368CS..EExtended strand (participates in β ladder)trans-129.2141.7-177.5-59.2-92.7000109.8D279 S285 N338 I339 Y341D279-H287 VanDerWaalsContact CA-CE1 3.45Å; D279-H287 WeakPolarHBondContact CA-CE1 3.48Å; D279-H287 WeakPolarHBondContact CB-CE1 3.17Å; D279-H287 VanDerWaalsContact CG-CE1 3.41Å; D279-H287 IonicContact OD1-CE1 2.75Å; D279-H287 PolarHBondContact OD1-CE1 3.15Å; D279-H287 IonicContact OD1-ND1 2.72Å; D279-H287 PolarHBondContact OD1-ND1 3.04Å; S285-H287 WeakPolarHBondContact CB-NE2 3.49Å; S285-H287 PolarHBondContact O-CD2 3.42Å; S285-H287 VanDerWaalsContact O-CD2 3.3Å; S285-H287 PolarHBondContact O-NE2 3.38Å; S285-H287 PolarHBondContact OG-NE2 3.41Å; H287-N338 CarbonylContact O-C 3.57Å; H287-N338 WeakPolarHBondContact O-CA 3.49Å; H287-N338 WeakPolarHBondContact O-CB 3.41Å; H287-I339 HydrophobicContact CB-CG2 4.17Å; H287-I339 PolarHBondContact N-O 3.12Å; H287-I339 PolarHBondContact O-N 2.82Å; H287-Y341 HydrophobicContact CB-CE1 3.89Å; H287-Y341 AromaticContact CD2-CD1 3.74Å; H287-Y341 AromaticContact CD2-CE1 3.21Å; H287-Y341 WeakPolarHBondContact CD2-CE1 3.47Å; H287-Y341 AromaticContact CD2-CE2 3.8Å; H287-Y341 AromaticContact CD2-CZ 3.23Å; H287-Y341 PolarHBondContact CD2-OH 2.86Å; H287-Y341 AromaticContact CG-CE1 3.53Å; H287-Y341 AromaticContact CG-CZ 3.52Å; H287-Y341 VanDerWaalsContact CG-OH 3.31Å; H287-Y341 AromaticContact ND1-CZ 3.81Å; H287-Y341 PolarHBondContact ND1-OH 2.95Å; H287-Y341 AromaticContact NE2-CD2 3.85Å; H287-Y341 AromaticContact NE2-CE2 3.51Å; H287-Y341 AromaticContact NE2-CZ 3.73Å
288T95.3Very high83.3Confident111 Ų11170 Ų7068%0.68137%0.367SS*.EExtended strand (participates in β ladder)trans-69.1143.2178.6-46.50000111.1
289L94Very high80.9Confident3 Ų368 Ų682%0.01635%0.354CS..PPolyproline II helixtrans-95.2131.1171-72.7167.3000111.4I218 C273 M291 L335 G337 N338 I339I218-L289 HydrophobicContact CD1-CD1 3.69Å; I218-L289 HydrophobicContact CD1-CD2 3.62Å; I218-L289 HydrophobicContact CD1-CG 4.34Å; C273-L289 HydrophobicContact CB-CD2 4.04Å; L289-M291 HydrophobicContact CB-CE 4.42Å; L289-M291 HydrophobicContact CB-CG 4.01Å; L289-M291 HydrophobicContact CB-SD 4.31Å; L289-L335 HydrophobicContact CD1-CD1 4.23Å; L289-G337 WeakPolarHBondContact CB-O 3.18Å; L289-G337 PolarHBondContact N-O 3.11Å; L289-N338 WeakPolarHBondContact CD1-O 3.36Å; L289-I339 HydrophobicContact CD1-CB 4.2Å; L289-I339 HydrophobicContact CD2-CB 3.93Å; L289-I339 HydrophobicContact CD2-CG2 3.72Å; L289-I339 HydrophobicContact CG-CB 4.05Å; L289-I339 HydrophobicContact CG-CG2 4.05Å
290E92.8Very high78Confident46 Ų4673 Ų7322%0.21538%0.376CS..BIsolated β-bridgetrans-65128158.8-63.7170.3-15900108.1G271 R272 Q294 L295 S298G271-E290 CarbonylContact C-O 3.51Å; G271-E290 WeakPolarHBondContact CA-O 3.45Å; R272-E290 HydrophobicContact CB-CB 4.22Å; R272-E290 IonicContact CZ-OE2 3.97Å; R272-E290 PolarHBondContact N-O 2.83Å; R272-E290 IonicContact NH1-OE1 3.82Å; R272-E290 PolarHBondContact NH1-OE1 3.34Å; R272-E290 IonicContact NH1-OE2 2.7Å; R272-E290 PolarHBondContact NH1-OE2 3.36Å; R272-E290 WeakPolarHBondContact O-CB 3.48Å; R272-E290 PolarHBondContact O-N 3.39Å; E290-Q294 HydrophobicContact CB-CB 4.24Å; E290-L295 HydrophobicContact CB-CD2 4.28Å; E290-L295 WeakPolarHBondContact O-CD2 3.43Å; E290-S298 WeakPolarHBondContact OE2-CB 3.45Å; E290-S298 PolarHBondContact OE2-OG 2.67Å
291M86.6Confident74.9Confident67 Ų6776.3 Ų76.333%0.3340%0.4SS..  trans-142.6160.5-177-65.4174.3-72.900111.3L289 N293 Q294 L335L289-M291 HydrophobicContact CB-CE 4.42Å; L289-M291 HydrophobicContact CB-CG 4.01Å; L289-M291 HydrophobicContact CB-SD 4.31Å; M291-N293 PolarHBondContact O-N 3.18Å; M291-Q294 WeakPolarHBondContact O-CB 3.47Å; M291-Q294 PolarHBondContact O-N 3.42Å; M291-L335 HydrophobicContact SD-CB 4.19Å; M291-L335 HydrophobicContact SD-CD1 4.17Å
292G78.7Confident72.3Confident34 Ų3478.6 Ų78.635%0.35141%0.409SS..THydrogen-bonded Turntrans55.4-133.1178.700000112.2Q294 L295G292-Q294 PolarHBondContact O-N 2.83Å; G292-L295 WeakPolarHBondContact O-CB 3.34Å; G292-L295 PolarHBondContact O-N 3.06Å
293N69.5Low69.8Low133 Ų13382 Ų8271%0.71143%0.427SS*.THydrogen-bonded Turntrans-56.6-24.1-176-63.65.6000114.2M291 L295 V296 Y297M291-N293 PolarHBondContact O-N 3.18Å; N293-L295 PolarHBondContact O-N 3.1Å; N293-V296 PolarHBondContact O-N 3.33Å; N293-Y297 VanDerWaalsContact O-CD2 3.3Å; N293-Y297 WeakPolarHBondContact O-CD2 3.34Å
294Q70.6Confident66.8Low115 Ų11580.1 Ų80.154%0.53743%0.43SS..Hα-helixtrans-63.1-30.2177.6-60.8-179.45.100112.3E290 M291 G292 V296 S298E290-Q294 HydrophobicContact CB-CB 4.24Å; M291-Q294 WeakPolarHBondContact O-CB 3.47Å; M291-Q294 PolarHBondContact O-N 3.42Å; G292-Q294 PolarHBondContact O-N 2.83Å; Q294-V296 PolarHBondContact O-N 3.42Å; Q294-S298 PolarHBondContact O-N 3.25Å
295L76.7Confident63.7Low18 Ų1882.5 Ų82.59%0.09445%0.449CS..Hα-helixtrans-65.7-25.5179.6-63.1170.2000113L269 R272 E290 G292 N293L269-L295 HydrophobicContact CD2-CD2 4.35Å; L269-L295 HydrophobicContact CG-CD1 4.39Å; L269-L295 HydrophobicContact CG-CD2 4.31Å; L269-L295 WeakPolarHBondContact O-CD1 3.37Å; R272-L295 HydrophobicContact CB-CD2 3.5Å; R272-L295 VanDerWaalsContact CB-CD2 3.5Å; E290-L295 HydrophobicContact CB-CD2 4.28Å; E290-L295 WeakPolarHBondContact O-CD2 3.43Å; G292-L295 WeakPolarHBondContact O-CB 3.34Å; G292-L295 PolarHBondContact O-N 3.06Å; N293-L295 PolarHBondContact O-N 3.1Å
296V57.7Low60.4Low94 Ų9489.4 Ų89.457%0.5748%0.484SS*.Hα-helixtrans-74.2-50.8-179.5-1750000110.3N293 Q294 S298 R299N293-V296 PolarHBondContact O-N 3.33Å; Q294-V296 PolarHBondContact O-N 3.42Å; V296-S298 VanDerWaalsContact C-N 3.34Å; V296-S298 PolarHBondContact O-N 2.87Å; V296-R299 PolarHBondContact O-N 3.06Å
297Y46Very low57.1Low163 Ų16391.1 Ų91.164%0.63950%0.496SS*.Hα-helixtrans-63.4-35.8-177.4-65.1-74.3000113.3N293 R299 E300N293-Y297 VanDerWaalsContact O-CD2 3.3Å; N293-Y297 WeakPolarHBondContact O-CD2 3.34Å; Y297-R299 PolarHBondContact O-N 3.48Å; Y297-R299 VanDerWaalsContact O-N 3.16Å; Y297-E300 PolarHBondContact O-N 3.3Å
298S43.5Very low53.8Low35 Ų3595.7 Ų95.725%0.24553%0.526CS..Hα-helixtrans-62.5-20.7179-81.80000114.3R272 E290 Q294 V296R272-S298 PolarHBondContact NH1-OG 3.47Å; E290-S298 WeakPolarHBondContact OE2-CB 3.45Å; E290-S298 PolarHBondContact OE2-OG 2.67Å; Q294-S298 PolarHBondContact O-N 3.25Å; V296-S298 VanDerWaalsContact C-N 3.34Å; V296-S298 PolarHBondContact O-N 2.87Å
299R45.5Very low50.5Low151 Ų15195.6 Ų95.657%0.5753%0.529SS*.Hα-helixtrans-86.4-26.7-178.3-171.8171-79.1-178.8-1.8113.6V296 Y297 N303V296-R299 PolarHBondContact O-N 3.06Å; Y297-R299 PolarHBondContact O-N 3.48Å; Y297-R299 VanDerWaalsContact O-N 3.16Å; R299-N303 PolarHBondContact O-ND2 3.35Å
300E32.6Very low47.4Very low136 Ų136102.8 Ų102.864%0.63657%0.568SS**Hα-helixtrans-83.9-39.6-176.4-63.9-172.8151.400112.1Y297 K302 N303Y297-E300 PolarHBondContact O-N 3.3Å; E300-K302 PolarHBondContact O-N 3.06Å; E300-N303 PolarHBondContact O-N 3.14Å
301C28.4Very low44.2Very low103 Ų103106.4 Ų106.470%0.69660%0.598SS**THydrogen-bonded Turntrans-65-5.1-175.3-64.30000116.1
302K37.8Very low41.4Very low95 Ų95109.3 Ų109.341%0.41362%0.62SS.*THydrogen-bonded Turntrans-114.6-0.4178.2-65.2-169.7177.5-173.90114.7E213 E300E213-K302 IonicContact OE1-NZ 3.18Å; E213-K302 PolarHBondContact OE1-NZ 2.92Å; E213-K302 IonicContact OE2-NZ 3.56Å; E213-K302 PolarHBondContact OE2-NZ 2.73Å; E300-K302 PolarHBondContact O-N 3.06Å
303N35.3Very low39Very low122 Ų122114.1 Ų114.165%0.65264%0.642SS**SBendtrans-96.5-0.6179.4-71-40.6000113.8R299 E300R299-N303 PolarHBondContact O-ND2 3.35Å; E300-N303 PolarHBondContact O-N 3.14Å
304S28.8Very low37.1Very low89 Ų89114.2 Ų114.262%0.62264%0.641SS**  trans-114.745.3-171.450.60000114.1
305S28.2Very low34.9Very low106 Ų106116.5 Ų116.574%0.74165%0.652SS**SBendtrans-112.232.1172.958.10000114.1
306L26.8Very low32.6Very low164 Ų164126.4 Ų126.486%0.85969%0.688SS**  trans-170.671.6164.1-106.7153.1000111.5
307S27.4Very low31.1Very low103 Ų103128.7 Ų128.772%0.7270%0.697SS**  trans-113.192.7160.961.10000109.2S309S307-S309 PolarHBondContact O-N 3.32Å
308V28.5Very low30.3Very low122 Ų122125.8 Ų125.874%0.73970%0.701SS**  trans-60122.6168.6173.20000108.1N310V308-N310 PolarHBondContact O-N 2.92Å
309S25.3Very low29.5Very low108 Ų108130.9 Ų130.976%0.75573%0.725SS**  trans-56.9117.1176.3-46.30000110.6S307S307-S309 PolarHBondContact O-N 3.32Å
310N29.2Very low28.5Very low155 Ų155133.2 Ų133.283%0.82974%0.739SS**  trans-146.4114.2154.9-99.8-28000109.5V308 T312V308-N310 PolarHBondContact O-N 2.92Å; N310-T312 PolarHBondContact O-N 3.37Å
311S24.9Very low28.3Very low122 Ų122133 Ų13385%0.85374%0.742SS**  trans-70.5121.2-176.2-55.70000111.8
312T28.9Very low28.2Very low127 Ų127135 Ų13578%0.77975%0.746SS**  trans-140.3118.7139.742.60000108.8N310 I314N310-T312 PolarHBondContact O-N 3.37Å; T312-I314 PolarHBondContact O-N 2.82Å; T312-I314 VanDerWaalsContact O-N 3.13Å
313T26.5Very low27.7Very low135 Ų135139.4 Ų139.483%0.82877%0.768SS**  trans-66.2102.8176.923.60000110.9
314I30.6Very low27.3Very low135 Ų135138.4 Ų138.469%0.69277%0.77SS**  trans-108.9106.3159-61.8-179000107.1T312 R316T312-I314 PolarHBondContact O-N 2.82Å; T312-I314 VanDerWaalsContact O-N 3.13Å; I314-R316 PolarHBondContact O-N 3.21Å; I314-R316 VanDerWaalsContact O-N 3.1Å
315H25Very low27.1Very low163 Ų163142.1 Ų142.176%0.75578%0.783SS**  trans-57.9113169.2-77.7-99.8000109.4
316R27.4Very low27.2Very low227 Ų227145.2 Ų145.286%0.85779%0.786SS**  trans-114.297.7157-79.4-171.9173.9140.60.1108I314 S318I314-R316 PolarHBondContact O-N 3.21Å; I314-R316 VanDerWaalsContact O-N 3.1Å; R316-S318 PolarHBondContact O-N 3.48Å; R316-S318 VanDerWaalsContact O-N 3.13Å
317N26.1Very low27.4Very low141 Ų141143.1 Ų143.175%0.75478%0.78SS**  trans-60.7111.7164.6-65.1-12.6000107.5L319N317-L319 PolarHBondContact O-N 3.08Å
318S28.6Very low28.2Very low103 Ų103143.3 Ų143.372%0.7278%0.782SS**  trans-7390155.358.40000106.5R316 F320R316-S318 PolarHBondContact O-N 3.48Å; R316-S318 VanDerWaalsContact O-N 3.13Å; S318-F320 PolarHBondContact O-N 3.48Å
319L26.7Very low29.4Very low142 Ų142144.6 Ų144.674%0.74378%0.779SS**  trans-63.6109.4171.1-170.676.1000107.1N317 N321N317-L319 PolarHBondContact O-N 3.08Å; L319-N321 HydrophobicContact CD2-CB 4.37Å; L319-N321 PolarHBondContact O-N 3.04Å; L319-N321 VanDerWaalsContact O-N 3.1Å
320F26.4Very low31.4Very low199 Ų199144 Ų14487%0.87377%0.767SS**  trans-60.5111.2159.3-72.6-90.9000106.5S318S318-F320 PolarHBondContact O-N 3.48Å
321N28.2Very low33.5Very low132 Ų132137 Ų13771%0.70673%0.73SS**  trans-128.5122.6166.9-160.281.8000107.4L319L319-N321 HydrophobicContact CD2-CB 4.37Å; L319-N321 PolarHBondContact O-N 3.04Å; L319-N321 VanDerWaalsContact O-N 3.1Å
322D26.1Very low36.2Very low145 Ų145136.3 Ų136.378%0.77572%0.717SS**  trans-55.8169.9173.9-74.9-61.4000112.4
323Q26.1Very low39Very low188 Ų188130.7 Ų130.788%0.87968%0.682SS**  trans92.157.8171-50.2177.428.300117.3
324S26.6Very low42Very low100 Ų100125.4 Ų125.470%0.69965%0.65SS**  trans-161.197131.559.60000111.2E326S324-E326 PolarHBondContact O-N 2.89Å
325N26.4Very low44.9Very low167 Ų167120.1 Ų120.189%0.89362%0.623SS**  trans-75.864.9166.4-84.9-11.7000110.2
326E29.2Very low48.1Very low172 Ų172118 Ų11880%0.80461%0.612SS**  trans-96.770.3159.5-70.9-167.8178.900108.3S324 S328S324-E326 PolarHBondContact O-N 2.89Å; E326-S328 VanDerWaalsContact C-N 3.31Å; E326-S328 PolarHBondContact O-N 3.43Å
327T31.1Very low51.1Low119 Ų119107.5 Ų107.573%0.7358%0.575SS**  trans-61.5101.4158.846.20000106.8E329T327-E329 PolarHBondContact O-N 3Å
328S45Very low54.4Low107 Ų107102.9 Ų102.975%0.74855%0.55SS**  trans-52.7115.4174.4-49.60000108E326 I330E326-S328 VanDerWaalsContact C-N 3.31Å; E326-S328 PolarHBondContact O-N 3.43Å; S328-I330 VanDerWaalsContact C-N 3.31Å; S328-I330 PolarHBondContact O-N 2.86Å
329E52.7Low57.6Low149 Ų14998 Ų9870%0.69652%0.516SS*.  trans-64.691-177-68-175.7149.300109.2K227 T327 C331K227-E329 IonicContact NZ-OE2 2.66Å; K227-E329 PolarHBondContact NZ-OE2 2.92Å; T327-E329 PolarHBondContact O-N 3Å; E329-C331 PolarHBondContact O-N 2.81Å
330I66.8Low60.9Low95 Ų9592.3 Ų92.349%0.48749%0.487SS..  trans-54.1127.9174.6-66.5172.4000108I270 S328 D332I270-I330 HydrophobicContact CG2-CG2 4.08Å; S328-I330 VanDerWaalsContact C-N 3.31Å; S328-I330 PolarHBondContact O-N 2.86Å; I330-D332 PolarHBondContact O-N 2.83Å
331C73.2Confident64.3Low8 Ų882.8 Ų82.85%0.05445%0.446CS..  trans-34.8117.7177.4172.10000113.3A220 P222 D268 I270 E329 L333A220-C331 HydrophobicContact CB-CB 4.5Å; P222-C331 HydrophobicContact CB-CB 4.32Å; D268-C331 HydrophobicContact CB-CB 4.02Å; D268-C331 WeakPolarHBondContact OD2-CB 3.49Å; D268-C331 PolarHBondContact OD2-N 3.29Å; I270-C331 HydrophobicContact CG2-CB 3.82Å; E329-C331 PolarHBondContact O-N 2.81Å; C331-L333 PolarHBondContact O-N 2.82Å
332D82.2Confident67.5Low108 Ų10879.4 Ų79.458%0.57842%0.423SS*.  trans-81.221.5-168.361.2-45000114.7Y169 I330 P334Y169-D332 PolarHBondContact OH-OD1 3.38Å; Y169-D332 VanDerWaalsContact OH-OD1 3.14Å; Y169-D332 PolarHBondContact OH-OD2 3.4Å; Y169-D332 VanDerWaalsContact OH-OD2 3.05Å; I330-D332 PolarHBondContact O-N 2.83Å; D332-P334 WeakPolarHBondContact O-CD 3.25Å
333L88.1Confident70.8Confident9 Ų972.5 Ų72.55%0.04739%0.386CS..  trans-59.4119.9176.5-177.573.1000109.4L117 W119 Y169 L171 I190 I197 A220 I270 C331 L335L117-L333 HydrophobicContact CD1-CD1 4.37Å; L117-L333 HydrophobicContact CD2-CD2 4.33Å; L117-L333 HydrophobicContact CD2-CG 4.25Å; W119-L333 HydrophobicContact CH2-CD1 4.16Å; Y169-L333 HydrophobicContact CD1-CB 3.89Å; Y169-L333 HydrophobicContact CD1-CD1 4Å; Y169-L333 HydrophobicContact CD2-CD1 3.68Å; Y169-L333 HydrophobicContact CE1-CB 4.03Å; Y169-L333 HydrophobicContact CE1-CD1 4.5Å; Y169-L333 HydrophobicContact CE2-CD1 4.21Å; Y169-L333 HydrophobicContact CG-CB 4.35Å; Y169-L333 HydrophobicContact CG-CD1 3.57Å; L171-L333 HydrophobicContact CD1-CD2 3.42Å; L171-L333 VanDerWaalsContact CD1-CD2 3.42Å; I190-L333 HydrophobicContact CG2-CD1 4.49Å; I197-L333 HydrophobicContact CD1-CD2 4.36Å; A220-L333 HydrophobicContact CB-CD2 4.35Å; I270-L333 HydrophobicContact CD1-CB 4.17Å; I270-L333 HydrophobicContact CD1-CD2 3.77Å; I270-L333 HydrophobicContact CD1-CG 4.49Å; C331-L333 PolarHBondContact O-N 2.82Å; L333-L335 HydrophobicContact CD2-CD2 4.2Å; L333-L335 PolarHBondContact O-N 3.03Å
334P88.8Confident74Confident25 Ų2564.1 Ų64.116%0.16235%0.347CS..  trans-82.882.5-167.232.8-35.8000111.2L117 I118 W119 D332L117-P334 CarbonylContact C-O 3.59Å; L117-P334 VanDerWaalsContact CA-O 3.28Å; L117-P334 WeakPolarHBondContact CA-O 3.48Å; I118-P334 PolarHBondContact N-O 3.04Å; I118-P334 WeakPolarHBondContact O-CB 3.45Å; W119-P334 HydrophobicContact CD2-CG 3.9Å; W119-P334 HydrophobicContact CE3-CG 3.57Å; W119-P334 HydrophobicContact CH2-CG 4.19Å; W119-P334 HydrophobicContact CZ2-CG 4.47Å; W119-P334 HydrophobicContact CZ3-CG 3.73Å; D332-P334 WeakPolarHBondContact O-CD 3.25Å
335L91.6Very high77.2Confident23 Ų2359.4 Ų59.412%0.1231%0.314CS..BIsolated β-bridgetrans-61.7138.2171.5-57.8-176.4000110.6I115 L117 I270 L289 M291 L333 G337I115-L335 HydrophobicContact CG2-CD2 3.69Å; L117-L335 HydrophobicContact CD2-CD2 3.87Å; I270-L335 HydrophobicContact CD1-CD1 3.88Å; I270-L335 HydrophobicContact CD1-CD2 3.93Å; I270-L335 HydrophobicContact CD1-CG 4.03Å; I270-L335 HydrophobicContact CG1-CD1 4.17Å; L289-L335 HydrophobicContact CD1-CD1 4.23Å; M291-L335 HydrophobicContact SD-CB 4.19Å; M291-L335 HydrophobicContact SD-CD1 4.17Å; L333-L335 HydrophobicContact CD2-CD2 4.2Å; L333-L335 PolarHBondContact O-N 3.03Å; L335-G337 PolarHBondContact O-N 3.26Å
336F91.7Very high80.4Confident118 Ų11851.9 Ų51.952%0.51827%0.274SS..  trans-65.8-23171.3-175.3-91.8000112.5P116 I118 N338P116-F336 HydrophobicContact CB-CB 3.82Å; P116-F336 HydrophobicContact CB-CG 4.29Å; P116-F336 VanDerWaalsContact O-CB 3.25Å; P116-F336 WeakPolarHBondContact O-CB 3.44Å; P116-F336 PolarHBondContact O-N 3.08Å; I118-F336 HydrophobicContact CB-CD2 4.19Å; I118-F336 HydrophobicContact CD1-CD2 4.24Å; I118-F336 HydrophobicContact CD1-CE2 4.44Å; F336-N338 HydrophobicContact CD1-CB 4.44Å
337G91.3Very high83.4Confident8 Ų843.7 Ų43.78%0.08224%0.236CC..SBendtrans104.7-1178.200000115.3L289 L335L289-G337 WeakPolarHBondContact CB-O 3.18Å; L289-G337 PolarHBondContact N-O 3.11Å; L335-G337 PolarHBondContact O-N 3.26Å
338N94.6Very high86.3Confident44 Ų4439.7 Ų39.724%0.23521%0.209CC..EExtended strand (participates in β ladder)trans-119.7158.8172.5-68.3-11.1000111.1P116 S286 H287 L289 F336P116-N338 WeakPolarHBondContact CD-O 3.36Å; S286-N338 WeakPolarHBondContact OG-CB 3.47Å; S286-N338 PolarHBondContact OG-ND2 3.47Å; H287-N338 CarbonylContact O-C 3.57Å; H287-N338 WeakPolarHBondContact O-CA 3.49Å; H287-N338 WeakPolarHBondContact O-CB 3.41Å; L289-N338 WeakPolarHBondContact CD1-O 3.36Å; F336-N338 HydrophobicContact CD1-CB 4.44Å
339I96.3Very high88.5Confident0 Ų034.6 Ų34.60%017%0.173CC..EExtended strand (participates in β ladder)trans-122.8135.3164.3-172.8173000108.6I113 I115 I216 I218 C273 H287 L289 Y341I113-I339 HydrophobicContact CG2-CD1 3.81Å; I113-I339 HydrophobicContact CG2-CG1 4.1Å; I115-I339 HydrophobicContact CG1-CD1 4.21Å; I115-I339 HydrophobicContact CG1-CG1 4.05Å; I216-I339 HydrophobicContact CD1-CD1 4.43Å; I216-I339 HydrophobicContact CG2-CD1 3.89Å; I218-I339 HydrophobicContact CD1-CD1 4.39Å; C273-I339 HydrophobicContact CB-CG2 3.88Å; H287-I339 HydrophobicContact CB-CG2 4.17Å; H287-I339 PolarHBondContact N-O 3.12Å; H287-I339 PolarHBondContact O-N 2.82Å; L289-I339 HydrophobicContact CD1-CB 4.2Å; L289-I339 HydrophobicContact CD2-CB 3.93Å; L289-I339 HydrophobicContact CD2-CG2 3.72Å; L289-I339 HydrophobicContact CG-CB 4.05Å; L289-I339 HydrophobicContact CG-CG2 4.05Å; I339-Y341 HydrophobicContact CG1-CD1 4.32Å; I339-Y341 HydrophobicContact CG2-CD1 4.13Å; I339-Y341 HydrophobicContact CG2-CE1 4.02Å
340C97Very high90.2Very high22 Ų2228.5 Ų28.515%0.14915%0.148CC..EExtended strand (participates in β ladder)trans-101.9134.7175.1-69.20000109.5I113 R114 V284 S285I113-C340 CarbonylContact C-O 3.49Å; I113-C340 VanDerWaalsContact CA-O 3.31Å; I113-C340 WeakPolarHBondContact CA-O 3.36Å; R114-C340 HydrophobicContact CB-CB 4.19Å; R114-C340 PolarHBondContact N-O 3.21Å; R114-C340 PolarHBondContact O-N 2.77Å; V284-C340 HydrophobicContact CG1-CB 4.14Å; S285-C340 CarbonylContact O-C 3.59Å; S285-C340 WeakPolarHBondContact O-CA 3.13Å
341Y96.8Very high91Very high0 Ų029 Ų290%015%0.147CC..EExtended strand (participates in β ladder)trans-157.1167.1172.157.8-97.8000111.6L110 I216 A275 V284 S285 H287 I339 L343L110-Y341 HydrophobicContact CD1-CD2 3.52Å; L110-Y341 HydrophobicContact CD1-CE2 4.28Å; L110-Y341 HydrophobicContact CD1-CG 3.77Å; I216-Y341 HydrophobicContact CD1-CD1 3.9Å; I216-Y341 HydrophobicContact CD1-CE1 3.93Å; I216-Y341 HydrophobicContact CD1-CG 4.4Å; A275-Y341 HydrophobicContact CB-CE2 4.09Å; A275-Y341 WeakPolarHBondContact CB-OH 3.45Å; V284-Y341 WeakPolarHBondContact CA-O 3.32Å; S285-Y341 PolarHBondContact N-O 2.93Å; S285-Y341 PolarHBondContact O-N 3.28Å; S285-Y341 PolarHBondContact OG-O 2.76Å; H287-Y341 HydrophobicContact CB-CE1 3.89Å; H287-Y341 AromaticContact CD2-CD1 3.74Å; H287-Y341 AromaticContact CD2-CE1 3.21Å; H287-Y341 WeakPolarHBondContact CD2-CE1 3.47Å; H287-Y341 AromaticContact CD2-CE2 3.8Å; H287-Y341 AromaticContact CD2-CZ 3.23Å; H287-Y341 PolarHBondContact CD2-OH 2.86Å; H287-Y341 AromaticContact CG-CE1 3.53Å; H287-Y341 AromaticContact CG-CZ 3.52Å; H287-Y341 VanDerWaalsContact CG-OH 3.31Å; H287-Y341 AromaticContact ND1-CZ 3.81Å; H287-Y341 PolarHBondContact ND1-OH 2.95Å; H287-Y341 AromaticContact NE2-CD2 3.85Å; H287-Y341 AromaticContact NE2-CE2 3.51Å; H287-Y341 AromaticContact NE2-CZ 3.73Å; I339-Y341 HydrophobicContact CG1-CD1 4.32Å; I339-Y341 HydrophobicContact CG2-CD1 4.13Å; I339-Y341 HydrophobicContact CG2-CE1 4.02Å; Y341-L343 HydrophobicContact CD2-CB 4Å; Y341-L343 HydrophobicContact CE2-CB 3.9Å; Y341-L343 HydrophobicContact CE2-CD2 4.46Å
342R95.6Very high91.7Very high61 Ų6132 Ų3223%0.2316%0.161CC..EExtended strand (participates in β ladder)trans-112127.4166.8174.3165.354.2173.9-10.4109.1S111 D112 V284 I344S111-R342 PolarHBondContact N-O 3.41Å; S111-R342 PolarHBondContact O-N 3.32Å; D112-R342 VanDerWaalsContact CG-NH2 3.33Å; D112-R342 IonicContact OD1-NH2 3.75Å; D112-R342 PolarHBondContact OD1-NH2 3.13Å; D112-R342 IonicContact OD2-CZ 2.74Å; D112-R342 IonicContact OD2-NE 3.16Å; D112-R342 PolarHBondContact OD2-NE 3.1Å; D112-R342 IonicContact OD2-NH2 2.73Å; D112-R342 PolarHBondContact OD2-NH2 2.91Å; V284-R342 HydrophobicContact CG2-CB 4.02Å; R342-I344 HydrophobicContact CG-CD1 4.05Å; R342-I344 HydrophobicContact CG-CG1 3.8Å
343L95.6Very high92.1Very high0 Ų027.8 Ų27.80%014%0.14CC..EExtended strand (participates in β ladder)trans-123.3118.1179.2-176.167.7000108.9L108 C109 L110 F212 A275 D279 V280 Q281 Y341L108-L343 HydrophobicContact CD1-CD1 3.75Å; L108-L343 HydrophobicContact CD1-CG 4.04Å; L108-L343 HydrophobicContact CD2-CD1 4.09Å; L108-L343 HydrophobicContact CG-CD1 3.84Å; C109-L343 WeakPolarHBondContact O-CA 3.39Å; L110-L343 HydrophobicContact CB-CD1 4.18Å; L110-L343 HydrophobicContact CD1-CD1 4.16Å; F212-L343 HydrophobicContact CE2-CD2 4.08Å; F212-L343 HydrophobicContact CZ-CD2 4.06Å; A275-L343 HydrophobicContact CB-CD2 3.66Å; D279-L343 HydrophobicContact CB-CD2 4.32Å; V280-L343 CarbonylContact C-O 3.58Å; V280-L343 WeakPolarHBondContact CA-O 3.32Å; V280-L343 HydrophobicContact CG2-CD2 4.13Å; V280-L343 HydrophobicContact CG2-CG 4.33Å; Q281-L343 PolarHBondContact N-O 3.18Å; Y341-L343 HydrophobicContact CD2-CB 4Å; Y341-L343 HydrophobicContact CE2-CB 3.9Å; Y341-L343 HydrophobicContact CE2-CD2 4.46Å
344I94.4Very high92.2Very high12 Ų1228 Ų286%0.06214%0.142CC..EExtended strand (participates in β ladder)trans-123.3134.5-177.1-43.4172.5000108.8L108 C109 N282 R342 I862L108-I344 CarbonylContact C-O 3.54Å; L108-I344 WeakPolarHBondContact CA-O 3.36Å; C109-I344 PolarHBondContact N-O 3.33Å; C109-I344 PolarHBondContact O-N 2.9Å; N282-I344 WeakPolarHBondContact OD1-CD1 3.22Å; R342-I344 HydrophobicContact CG-CD1 4.05Å; R342-I344 HydrophobicContact CG-CG1 3.8Å; I344-I862 HydrophobicContact CG2-CD1 3.88Å; I344-I862 HydrophobicContact CG2-CG1 4.15Å; I344-I862 HydrophobicContact CG2-CG2 3.58Å
345A93.9Very high92.4Very high1 Ų128.7 Ų28.71%0.00814%0.142CC..EExtended strand (participates in β ladder)trans-112.3143.116800000109.7A106 Q107 L108 V280 W853A106-A345 HydrophobicContact CB-CB 4.39Å; Q107-A345 CarbonylContact O-C 3.57Å; Q107-A345 WeakPolarHBondContact O-CA 3.49Å; L108-A345 HydrophobicContact CD1-CB 3.98Å; V280-A345 HydrophobicContact CG1-CB 3.85Å; V280-A345 HydrophobicContact CG2-CB 4.37Å; A345-W853 HydrophobicContact CB-CE3 3.53Å; A345-W853 HydrophobicContact CB-CH2 4.14Å; A345-W853 HydrophobicContact CB-CZ3 3.26Å
346Q92.5Very high92.4Very high9 Ų929.3 Ų29.34%0.04215%0.148CC..EExtended strand (participates in β ladder)trans-134.1106175.2-164.916727.700109A106 Q107 A350 I862 I864A106-Q346 WeakPolarHBondContact CA-O 3.42Å; Q107-Q346 PolarHBondContact N-O 3.04Å; Q107-Q346 PolarHBondContact O-N 2.84Å; Q346-A350 HydrophobicContact CG-CB 4.24Å; Q346-I862 HydrophobicContact CB-CG2 4.02Å; Q346-I862 HydrophobicContact CG-CG2 4.09Å; Q346-I862 PolarHBondContact NE2-O 3.01Å; Q346-I862 PolarHBondContact OE1-O 3.03Å; Q346-I864 HydrophobicContact CB-CD1 3.53Å; Q346-I864 HydrophobicContact CB-CG1 4.29Å
347P93.2Very high92.4Very high0 Ų024.4 Ų24.40%013%0.131CC..EExtended strand (participates in β ladder)trans-51.8143.6176.5-31.940.3000111.9S349 A350 W853 A857 F858P347-S349 WeakPolarHBondContact CB-OG 3.44Å; P347-S349 PolarHBondContact O-N 3.11Å; P347-A350 VanDerWaalsContact O-CB 3.32Å; P347-A350 WeakPolarHBondContact O-CB 3.44Å; P347-A350 PolarHBondContact O-N 3.36Å; P347-W853 HydrophobicContact CG-CB 3.81Å; P347-W853 HydrophobicContact CG-CD2 4.14Å; P347-W853 HydrophobicContact CG-CG 3.56Å; P347-A857 HydrophobicContact CG-CB 4.33Å; P347-F858 HydrophobicContact CB-CE1 4.02Å; P347-F858 HydrophobicContact CB-CE2 4.34Å; P347-F858 HydrophobicContact CB-CZ 3.7Å; P347-F858 HydrophobicContact CG-CD2 4.5Å; P347-F858 HydrophobicContact CG-CE1 4.27Å; P347-F858 HydrophobicContact CG-CE2 3.74Å; P347-F858 HydrophobicContact CG-CZ 3.61Å
348H91Very high92.4Very high35 Ų3525.6 Ų25.616%0.16213%0.133CC..G310 helixtrans-61.9-31.4177.8-67.5153.2000111.8A101 Y105 D207 A350 K351 L352A101-H348 VanDerWaalsContact CB-C 3.48Å; A101-H348 HydrophobicContact CB-CB 3.82Å; Y105-H348 PolarHBondContact O-N 3.06Å; Y105-H348 PolarHBondContact O-ND1 3.37Å; D207-H348 IonicContact OD1-CE1 3.22Å; D207-H348 PolarHBondContact OD1-CE1 3.43Å; D207-H348 VanDerWaalsContact OD1-CE1 3.28Å; D207-H348 IonicContact OD1-ND1 2.64Å; H348-A350 PolarHBondContact O-N 3.07Å; H348-K351 PolarHBondContact O-N 3.14Å; H348-K351 VanDerWaalsContact O-N 3.08Å; H348-L352 PolarHBondContact O-N 3.19Å
349S90.4Very high92.3Very high0 Ų023.5 Ų23.50%012%0.122CC..G310 helixtrans-61-22.9173.748.30000114P347 K351 L352 D382 E849 F858P347-S349 WeakPolarHBondContact CB-OG 3.44Å; P347-S349 PolarHBondContact O-N 3.11Å; S349-K351 VanDerWaalsContact C-N 3.27Å; S349-K351 PolarHBondContact O-N 3.07Å; S349-L352 WeakPolarHBondContact CA-O 3.37Å; S349-D382 PolarHBondContact O-N 2.96Å; S349-E849 VanDerWaalsContact CB-OE2 3.27Å; S349-E849 WeakPolarHBondContact CB-OE2 3.48Å; S349-E849 PolarHBondContact OG-OE1 3.14Å; S349-E849 PolarHBondContact OG-OE2 3.43Å; S349-F858 WeakPolarHBondContact OG-CE1 3.34Å
350A89.1Confident92.1Very high21 Ų2123.7 Ų23.717%0.17412%0.123CC..G310 helixtrans-73.4-13.9174.100000114Q346 P347 H348 F858Q346-A350 HydrophobicContact CG-CB 4.24Å; P347-A350 VanDerWaalsContact O-CB 3.32Å; P347-A350 WeakPolarHBondContact O-CB 3.44Å; P347-A350 PolarHBondContact O-N 3.36Å; H348-A350 PolarHBondContact O-N 3.07Å; A350-F858 HydrophobicContact CB-CD1 3.81Å; A350-F858 HydrophobicContact CB-CE1 4.25Å; A350-F858 HydrophobicContact CB-CG 4.49Å
351K84.1Confident91.9Very high106 Ų10622.8 Ų22.846%0.46112%0.116SC..THydrogen-bonded Turntrans-125.7-25.6-177.9-74.8178.7179.1156.30114.7H348 S349H348-K351 PolarHBondContact O-N 3.14Å; H348-K351 VanDerWaalsContact O-N 3.08Å; S349-K351 VanDerWaalsContact C-N 3.27Å; S349-K351 PolarHBondContact O-N 3.07Å
352L87.8Confident91.6Very high69 Ų6925.4 Ų25.436%0.36113%0.126SC..SBendtrans-127.3146.3-176.4-65.5173.3000109A101 H348 S349A101-L352 HydrophobicContact CB-CB 4.02Å; A101-L352 WeakPolarHBondContact CB-O 3.46Å; H348-L352 PolarHBondContact O-N 3.19Å; S349-L352 WeakPolarHBondContact CA-O 3.37Å
353P90.8Very high91.3Very high20 Ų2026.2 Ų26.213%0.1313%0.131CC..  trans-62.3141.2177.426.4-34.9000112.1F100 A101 E379 L380F100-P353 CarbonylContact C-O 3.51Å; F100-P353 WeakPolarHBondContact CA-O 3.33Å; F100-P353 WeakPolarHBondContact CB-O 3.48Å; F100-P353 HydrophobicContact CD1-CB 4.1Å; F100-P353 HydrophobicContact CD1-CG 3.93Å; F100-P353 WeakPolarHBondContact CD1-O 3.3Å; F100-P353 HydrophobicContact CE1-CB 4.35Å; F100-P353 HydrophobicContact CE1-CG 4.18Å; A101-P353 PolarHBondContact N-O 3.11Å; P353-E379 HydrophobicContact CB-CG 3.5Å; P353-E379 HydrophobicContact CG-CG 4.32Å; P353-L380 CarbonylContact C-O 3.47Å; P353-L380 WeakPolarHBondContact CA-O 3.2Å
354L90.8Very high91Very high15 Ų1527 Ų278%0.07914%0.136CC..SBendtrans-80.5-37169.5-79.6168.1000111.8A101 P103 L380 I842 H846A101-L354 HydrophobicContact CB-CD2 3.85Å; A101-L354 HydrophobicContact CB-CG 4.23Å; P103-L354 HydrophobicContact CB-CD2 3.92Å; P103-L354 HydrophobicContact CG-CD2 3.77Å; L354-L380 HydrophobicContact CB-CD2 4.4Å; L354-L380 HydrophobicContact CD1-CD2 4.41Å; L354-L380 PolarHBondContact N-O 3.47Å; L354-I842 HydrophobicContact CB-CD1 4.5Å; L354-I842 HydrophobicContact CB-CG1 4.09Å; L354-H846 HydrophobicContact CD1-CB 3.66Å; L354-H846 VanDerWaalsContact CD1-CG 3.4Å; L354-H846 WeakPolarHBondContact CD1-ND1 3.36Å
355K91.9Very high90.5Very high38 Ų3828.9 Ų28.917%0.16515%0.147CC..EExtended strand (participates in β ladder)trans-153.8145.5177-174.2169.8174.358.60109.6L380 E835 W839 I842K355-L380 PolarHBondContact O-N 3.4Å; K355-E835 VanDerWaalsContact CE-CD 3.48Å; K355-E835 WeakPolarHBondContact CE-OE1 3.35Å; K355-E835 WeakPolarHBondContact CE-OE2 3.45Å; K355-E835 IonicContact NZ-OE1 3.32Å; K355-E835 PolarHBondContact NZ-OE1 2.9Å; K355-E835 IonicContact NZ-OE2 3.05Å; K355-E835 PolarHBondContact NZ-OE2 2.73Å; K355-W839 HydrophobicContact CB-CE3 4.48Å; K355-W839 HydrophobicContact CB-CH2 4.24Å; K355-W839 HydrophobicContact CB-CZ3 4.1Å; K355-W839 HydrophobicContact CD-CD2 3.75Å; K355-W839 HydrophobicContact CD-CE3 3.95Å; K355-W839 HydrophobicContact CD-CG 4.19Å; K355-W839 HydrophobicContact CD-CH2 4.49Å; K355-W839 HydrophobicContact CD-CZ2 4.29Å; K355-W839 HydrophobicContact CD-CZ3 4.31Å; K355-W839 HydrophobicContact CG-CD2 4.32Å; K355-W839 HydrophobicContact CG-CE3 4.29Å; K355-W839 HydrophobicContact CG-CH2 4.01Å; K355-W839 HydrophobicContact CG-CZ2 3.99Å; K355-W839 HydrophobicContact CG-CZ3 4.14Å; K355-I842 HydrophobicContact CB-CG2 4.07Å; K355-I842 HydrophobicContact CD-CG2 3.84Å
356S92.2Very high89.7Confident37 Ų3734 Ų3426%0.25918%0.181SC..EExtended strand (participates in β ladder)trans-130.7159.9163.662.20000109.8F100 C378F100-S356 WeakPolarHBondContact CE1-OG 3.23Å; F100-S356 WeakPolarHBondContact CZ-OG 3.5Å; S356-C378 WeakPolarHBondContact CA-O 3.37Å; S356-C378 WeakPolarHBondContact CB-O 3.3Å
357G91.8Very high88.9Confident14 Ų1436.1 Ų36.114%0.14420%0.196CC..EExtended strand (participates in β ladder)trans161.7-164-175.100000110.7C378G357-C378 PolarHBondContact N-O 3.4Å; G357-C378 VanDerWaalsContact N-O 3.11Å; G357-C378 PolarHBondContact O-N 3.39Å
358Y91.6Very high87.9Confident34 Ų3442 Ų4213%0.13324%0.235CC..EExtended strand (participates in β ladder)trans-113.5126.1-175-58.9-83.6000111Y376 R377 I390 T812 M814Y358-Y376 WeakPolarHBondContact CA-O 3.31Å; Y358-R377 HydrophobicContact CD1-CB 4.22Å; Y358-R377 HydrophobicContact CD1-CG 4.48Å; Y358-R377 HydrophobicContact CE1-CB 4.05Å; Y358-R377 HydrophobicContact CE1-CG 4.06Å; Y358-I390 HydrophobicContact CD1-CD1 3.42Å; Y358-I390 VanDerWaalsContact CD1-CD1 3.42Å; Y358-I390 HydrophobicContact CE1-CD1 3.38Å; Y358-T812 PolarHBondContact O-N 3.25Å; Y358-M814 HydrophobicContact CD2-CB 3.98Å; Y358-M814 HydrophobicContact CE2-CB 3.93Å
359L92.5Very high87.2Confident0 Ų047 Ų470%026%0.261CS..EExtended strand (participates in β ladder)trans-125.7130.7177.8-73.3168.9000109.6I361 Y376 C378 L385 F809 A811 W839 M843L359-I361 HydrophobicContact CB-CD1 4.18Å; L359-I361 HydrophobicContact CB-CG1 3.92Å; L359-Y376 PolarHBondContact N-O 3.09Å; L359-Y376 PolarHBondContact O-N 3.33Å; L359-C378 HydrophobicContact CD1-CB 3.96Å; L359-C378 HydrophobicContact CG-CB 4.42Å; L359-L385 HydrophobicContact CD1-CD2 3.98Å; L359-F809 HydrophobicContact CD1-CD1 4.23Å; L359-A811 HydrophobicContact CD2-CB 3.83Å; L359-W839 HydrophobicContact CD1-CD2 3.79Å; L359-W839 HydrophobicContact CD1-CE3 4.02Å; L359-W839 HydrophobicContact CD1-CG 4.23Å; L359-W839 HydrophobicContact CD1-CH2 4.32Å; L359-W839 HydrophobicContact CD1-CZ2 4.13Å; L359-W839 HydrophobicContact CD1-CZ3 4.27Å; L359-W839 HydrophobicContact CD2-CB 4.31Å; L359-W839 HydrophobicContact CD2-CD2 4.22Å; L359-W839 HydrophobicContact CD2-CG 3.82Å; L359-W839 HydrophobicContact CG-CD2 4.16Å; L359-W839 HydrophobicContact CG-CG 4.29Å; L359-W839 HydrophobicContact CG-CZ2 4.32Å; L359-M843 HydrophobicContact CD1-CE 4Å
360W91.8Very high86.5Confident4 Ų449.3 Ų49.32%0.01527%0.272CS..EExtended strand (participates in β ladder)trans-78126.2159.4-67.894.8000108.3M373 M374 L375 C767 F769 F809 T810 F829W360-M373 HydrophobicContact CB-CB 4.19Å; W360-M373 HydrophobicContact CB-CE 4.18Å; W360-M373 HydrophobicContact CE3-CB 4.19Å; W360-M373 WeakPolarHBondContact O-CE 2.97Å; W360-M374 CarbonylContact C-O 3.52Å; W360-M374 WeakPolarHBondContact CA-O 3.41Å; W360-L375 HydrophobicContact CD2-CB 3.97Å; W360-L375 HydrophobicContact CD2-CD1 4.04Å; W360-L375 HydrophobicContact CE3-CB 3.87Å; W360-L375 HydrophobicContact CG-CD1 4.2Å; W360-L375 HydrophobicContact CH2-CB 3.72Å; W360-L375 HydrophobicContact CH2-CD2 4.42Å; W360-L375 HydrophobicContact CZ2-CB 3.84Å; W360-L375 HydrophobicContact CZ2-CD1 4.22Å; W360-L375 HydrophobicContact CZ2-CD2 3.95Å; W360-L375 HydrophobicContact CZ2-CG 4.22Å; W360-L375 HydrophobicContact CZ3-CB 3.75Å; W360-C767 HydrophobicContact CH2-CB 3.53Å; W360-C767 HydrophobicContact CZ2-CB 4.46Å; W360-C767 HydrophobicContact CZ3-CB 3.91Å; W360-F769 HydrophobicContact CB-CZ 4.27Å; W360-F769 AromaticContact CD1-CZ 3.81Å; W360-F769 HydrophobicContact CD2-CE1 4.22Å; W360-F769 HydrophobicContact CD2-CE2 4.37Å; W360-F769 AromaticContact CD2-CZ 3.46Å; W360-F769 HydrophobicContact CD2-CZ 3.46Å; W360-F769 VanDerWaalsContact CD2-CZ 3.46Å; W360-F769 AromaticContact CE2-CE1 3.94Å; W360-F769 AromaticContact CE2-CZ 3.62Å; W360-F769 HydrophobicContact CE3-CE2 4.41Å; W360-F769 AromaticContact CE3-CZ 3.9Å; W360-F769 HydrophobicContact CE3-CZ 3.9Å; W360-F769 HydrophobicContact CG-CE1 4.27Å; W360-F769 AromaticContact CG-CZ 3.61Å; W360-F769 HydrophobicContact CG-CZ 3.61Å; W360-F769 HydrophobicContact CZ2-CE1 4.47Å; W360-F769 HydrophobicContact CZ2-CZ 4.24Å; W360-F769 HydrophobicContact CZ3-CZ 4.45Å; W360-F769 AromaticContact NE1-CE1 3.79Å; W360-F769 AromaticContact NE1-CZ 3.81Å; W360-F809 WeakPolarHBondContact O-CA 3.48Å; W360-T810 HydrophobicContact CB-CG2 3.67Å; W360-T810 HydrophobicContact CG-CG2 4.25Å; W360-T810 PolarHBondContact N-O 3.16Å; W360-T810 PolarHBondContact O-N 3.17Å; W360-T810 VanDerWaalsContact O-N 3.08Å; W360-F829 HydrophobicContact CH2-CD2 4.14Å; W360-F829 HydrophobicContact CH2-CE2 4.16Å; W360-F829 HydrophobicContact CZ2-CB 4.1Å; W360-F829 HydrophobicContact CZ2-CD1 4Å; W360-F829 AromaticContact CZ2-CD2 3.57Å; W360-F829 HydrophobicContact CZ2-CD2 3.57Å; W360-F829 HydrophobicContact CZ2-CE1 4.24Å; W360-F829 AromaticContact CZ2-CE2 3.84Å; W360-F829 HydrophobicContact CZ2-CE2 3.84Å; W360-F829 AromaticContact CZ2-CG 3.64Å; W360-F829 HydrophobicContact CZ2-CG 3.64Å; W360-F829 HydrophobicContact CZ2-CZ 4.15Å
361I92.8Very high86Confident3 Ų351.7 Ų51.72%0.01528%0.284CS..EExtended strand (participates in β ladder)trans-129.1137.7-176-51.1179.9000109.3L359 M374 Y376 L385 C387 L504 I506 F807 E808 F809L359-I361 HydrophobicContact CB-CD1 4.18Å; L359-I361 HydrophobicContact CB-CG1 3.92Å; I361-M374 PolarHBondContact N-O 3.31Å; I361-M374 PolarHBondContact O-N 3.4Å; I361-Y376 HydrophobicContact CB-CD2 3.78Å; I361-Y376 HydrophobicContact CB-CE2 3.9Å; I361-Y376 HydrophobicContact CD1-CD2 3.91Å; I361-Y376 HydrophobicContact CD1-CG 4.31Å; I361-Y376 HydrophobicContact CG1-CD2 3.88Å; I361-Y376 HydrophobicContact CG1-CE2 4.49Å; I361-L385 HydrophobicContact CD1-CD2 4.28Å; I361-C387 HydrophobicContact CD1-CB 4.43Å; I361-L504 HydrophobicContact CG2-CD2 4.22Å; I361-I506 HydrophobicContact CD1-CD1 4.23Å; I361-I506 HydrophobicContact CG2-CD1 4.04Å; I361-F807 HydrophobicContact CG2-CD1 4.11Å; I361-E808 WeakPolarHBondContact CA-O 3.32Å; I361-F809 HydrophobicContact CD1-CD1 4.1Å; I361-F809 HydrophobicContact CD1-CE1 3.92Å; I361-F809 HydrophobicContact CG1-CD1 3.84Å; I361-F809 HydrophobicContact CG1-CE1 4.07Å; I361-F809 HydrophobicContact CG2-CD1 4.33Å; I361-F809 HydrophobicContact CG2-CE1 4.06Å
362R89.7Confident85.9Confident55 Ų5550.6 Ų50.621%0.20829%0.288CS..EExtended strand (participates in β ladder)trans-131.3146.5158.563.6179.8173.9-166.1-3.2111.4L364 T371 M373 F807 E808R362-L364 HydrophobicContact CG-CD2 4.16Å; R362-T371 WeakPolarHBondContact CD-O 3.47Å; R362-M373 HydrophobicContact CB-CG 4.03Å; R362-M373 HydrophobicContact CG-CE 4.35Å; R362-M373 HydrophobicContact CG-CG 3.83Å; R362-F807 WeakPolarHBondContact O-CA 3.37Å; R362-E808 HydrophobicContact CG-CB 3.99Å; R362-E808 IonicContact CZ-OE2 3.15Å; R362-E808 PolarHBondContact N-O 3.43Å; R362-E808 IonicContact NE-OE2 2.92Å; R362-E808 PolarHBondContact NE-OE2 2.94Å; R362-E808 IonicContact NH2-OE1 2.94Å; R362-E808 IonicContact NH2-OE2 2.82Å; R362-E808 PolarHBondContact NH2-OE2 3.37Å; R362-E808 PolarHBondContact O-N 3.43Å
363K90.5Very high85.9Confident77 Ų7748.2 Ų48.234%0.33528%0.275SS..EExtended strand (participates in β ladder)trans-84.7120.3166.3-179171.3177166.40108.3E805 F807K363-E805 VanDerWaalsContact CE-CD 3.48Å; K363-E805 WeakPolarHBondContact CE-OE2 3.25Å; K363-E805 IonicContact NZ-OE1 3.69Å; K363-E805 PolarHBondContact NZ-OE1 2.74Å; K363-E805 IonicContact NZ-OE2 3Å; K363-E805 PolarHBondContact NZ-OE2 3.16Å; K363-F807 HydrophobicContact CB-CD1 4.05Å; K363-F807 HydrophobicContact CB-CE1 3.87Å; K363-F807 HydrophobicContact CD-CE1 4.25Å; K363-F807 HydrophobicContact CD-CZ 4.37Å; K363-F807 HydrophobicContact CG-CE1 4.13Å; K363-F807 HydrophobicContact CG-CZ 4.5Å
364L88Confident85.8Confident18 Ų1850.9 Ų50.99%0.09429%0.287CS..EExtended strand (participates in β ladder)trans-77.8135178-66.1-178.5000110.6R362 Q370 F713 R777 V806 E808R362-L364 HydrophobicContact CG-CD2 4.16Å; L364-Q370 HydrophobicContact CD2-CG 4.1Å; L364-F713 HydrophobicContact CB-CZ 4.13Å; L364-R777 VanDerWaalsContact CD1-CD 3.5Å; L364-R777 HydrophobicContact CD1-CG 4.09Å; L364-V806 HydrophobicContact CB-CB 4.27Å; L364-V806 HydrophobicContact CB-CG1 4.4Å; L364-V806 HydrophobicContact CD1-CG1 3.99Å; L364-V806 PolarHBondContact N-O 3Å; L364-E808 HydrophobicContact CD1-CB 4.26Å; L364-E808 HydrophobicContact CD2-CB 4.43Å; L364-E808 HydrophobicContact CG-CB 4.23Å
365T84.1Confident85.8Confident50 Ų5050.4 Ų50.431%0.30728%0.284SS..  trans-112.9161.2175.866.30000109.8S367 Q370T365-S367 PolarHBondContact O-N 3.45Å; T365-S367 WeakPolarHBondContact OG1-CB 3.42Å; T365-S367 PolarHBondContact OG1-N 2.91Å; T365-Q370 PolarHBondContact O-NE2 3.08Å
366P77.3Confident85.8Confident110 Ų11050 Ų5071%0.71428%0.282SS*.SBendtrans-70.50.5172.429.5-36.1000114I712P366-I712 HydrophobicContact CB-CG2 4.2Å
367S75.5Confident85.8Confident52 Ų5253.8 Ų53.836%0.36429%0.291SS..SBendtrans-69144.1172.4171.20000110.8T365 I369 Q370T365-S367 PolarHBondContact O-N 3.45Å; T365-S367 WeakPolarHBondContact OG1-CB 3.42Å; T365-S367 PolarHBondContact OG1-N 2.91Å; S367-I369 VanDerWaalsContact C-N 3.26Å; S367-I369 VanDerWaalsContact CB-O 3.32Å; S367-I369 WeakPolarHBondContact CB-O 3.43Å; S367-I369 PolarHBondContact O-N 3.48Å; S367-I369 PolarHBondContact OG-N 3.47Å; S367-I369 VanDerWaalsContact OG-N 3.11Å; S367-I369 PolarHBondContact OG-O 2.97Å; S367-Q370 PolarHBondContact O-NE2 2.96Å
368P71.4Confident85.9Confident124 Ų12453.1 Ų53.181%0.80528%0.284SS*.SBendtrans-63.8-34.8169.526.9-33.7000111.7
369I76.3Confident86Confident139 Ų13953.4 Ų53.471%0.71329%0.286SS*.SBendtrans-85.1114.8174.2-57.6171.1000108S367S367-I369 VanDerWaalsContact C-N 3.26Å; S367-I369 VanDerWaalsContact CB-O 3.32Å; S367-I369 WeakPolarHBondContact CB-O 3.43Å; S367-I369 PolarHBondContact O-N 3.48Å; S367-I369 PolarHBondContact OG-N 3.47Å; S367-I369 VanDerWaalsContact OG-N 3.11Å; S367-I369 PolarHBondContact OG-O 2.97Å
370Q77.3Confident86.1Confident49 Ų4953.4 Ų53.423%0.22929%0.286CS..PPolyproline II helixtrans-89.9156174.3-61.4-61-29.800111.2L364 T365 S367L364-Q370 HydrophobicContact CD2-CG 4.1Å; T365-Q370 PolarHBondContact O-NE2 3.08Å; S367-Q370 PolarHBondContact O-NE2 2.96Å
371T78.7Confident86Confident72 Ų7257.3 Ų57.344%0.44230%0.301SS..PPolyproline II helixtrans-67151.6168.946.50000111R362R362-T371 WeakPolarHBondContact CD-O 3.47Å
372P81.8Confident85.8Confident83 Ų8358.2 Ų58.254%0.53931%0.306SS..PPolyproline II helixtrans-60.6149.517127.6-34.8000110.2
373M86.8Confident85.9Confident18 Ų1857.6 Ų57.69%0.08930%0.304CS..PPolyproline II helixtrans-70138.8170.2-57.7-173.284.500109.2W360 R362 E808 T810W360-M373 HydrophobicContact CB-CB 4.19Å; W360-M373 HydrophobicContact CB-CE 4.18Å; W360-M373 HydrophobicContact CE3-CB 4.19Å; W360-M373 WeakPolarHBondContact O-CE 2.97Å; R362-M373 HydrophobicContact CB-CG 4.03Å; R362-M373 HydrophobicContact CG-CE 4.35Å; R362-M373 HydrophobicContact CG-CG 3.83Å; M373-E808 HydrophobicContact CE-CG 4.25Å; M373-E808 WeakPolarHBondContact CE-O 3.33Å; M373-T810 HydrophobicContact CE-CG2 4.07Å; M373-T810 HydrophobicContact SD-CG2 4.21Å
374M88.6Confident86Confident77 Ų7755.5 Ų55.538%0.37929%0.294SS..EExtended strand (participates in β ladder)trans-111.5146.2175.6-57.9-170.282.800110W360 I361 Y376 L389W360-M374 CarbonylContact C-O 3.52Å; W360-M374 WeakPolarHBondContact CA-O 3.41Å; I361-M374 PolarHBondContact N-O 3.31Å; I361-M374 PolarHBondContact O-N 3.4Å; M374-Y376 HydrophobicContact CB-CD2 4.46Å; M374-Y376 HydrophobicContact CB-CE2 3.72Å; M374-Y376 VanDerWaalsContact O-CD2 3.25Å; M374-Y376 WeakPolarHBondContact O-CD2 3.11Å; M374-L389 HydrophobicContact CB-CD1 3.89Å; M374-L389 HydrophobicContact CE-CD1 3.78Å; M374-L389 HydrophobicContact CE-CD2 3.97Å; M374-L389 HydrophobicContact SD-CD1 4.33Å
375L90.8Very high86.3Confident4 Ų454.7 Ų54.72%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-86.1123.2-179-177.657.4000110.7W360 I390 T812 M814 F829W360-L375 HydrophobicContact CD2-CB 3.97Å; W360-L375 HydrophobicContact CD2-CD1 4.04Å; W360-L375 HydrophobicContact CE3-CB 3.87Å; W360-L375 HydrophobicContact CG-CD1 4.2Å; W360-L375 HydrophobicContact CH2-CB 3.72Å; W360-L375 HydrophobicContact CH2-CD2 4.42Å; W360-L375 HydrophobicContact CZ2-CB 3.84Å; W360-L375 HydrophobicContact CZ2-CD1 4.22Å; W360-L375 HydrophobicContact CZ2-CD2 3.95Å; W360-L375 HydrophobicContact CZ2-CG 4.22Å; W360-L375 HydrophobicContact CZ3-CB 3.75Å; L375-I390 HydrophobicContact CD2-CB 4.44Å; L375-I390 HydrophobicContact CD2-CD1 4.23Å; L375-I390 HydrophobicContact CG-CB 4.32Å; L375-I390 HydrophobicContact CG-CD1 4.09Å; L375-I390 HydrophobicContact CG-CG1 4.45Å; L375-I390 PolarHBondContact O-N 2.97Å; L375-T812 HydrophobicContact CD1-CG2 3.92Å; L375-M814 HydrophobicContact CD2-SD 4.17Å; L375-F829 HydrophobicContact CD2-CE1 3.87Å; L375-F829 HydrophobicContact CD2-CZ 4.04Å
376Y91.8Very high86.8Confident29 Ų2955.7 Ų55.711%0.11429%0.288CS..EExtended strand (participates in β ladder)trans-120.1140.1176.2-63.1-91.5000111.1Y358 L359 I361 M374 C378 C387 T388 L389 L504Y358-Y376 WeakPolarHBondContact CA-O 3.31Å; L359-Y376 PolarHBondContact N-O 3.09Å; L359-Y376 PolarHBondContact O-N 3.33Å; I361-Y376 HydrophobicContact CB-CD2 3.78Å; I361-Y376 HydrophobicContact CB-CE2 3.9Å; I361-Y376 HydrophobicContact CD1-CD2 3.91Å; I361-Y376 HydrophobicContact CD1-CG 4.31Å; I361-Y376 HydrophobicContact CG1-CD2 3.88Å; I361-Y376 HydrophobicContact CG1-CE2 4.49Å; M374-Y376 HydrophobicContact CB-CD2 4.46Å; M374-Y376 HydrophobicContact CB-CE2 3.72Å; M374-Y376 VanDerWaalsContact O-CD2 3.25Å; M374-Y376 WeakPolarHBondContact O-CD2 3.11Å; Y376-C378 VanDerWaalsContact CB-SG 3.54Å; Y376-C387 HydrophobicContact CD1-CB 3.7Å; Y376-C387 HydrophobicContact CE1-CB 4.45Å; Y376-C387 HydrophobicContact CG-CB 3.9Å; Y376-T388 CarbonylContact C-O 3.59Å; Y376-T388 VanDerWaalsContact CA-O 3.26Å; Y376-T388 WeakPolarHBondContact CA-O 3.49Å; Y376-L389 HydrophobicContact CD1-CB 4.09Å; Y376-L389 HydrophobicContact CD1-CD1 4.24Å; Y376-L389 HydrophobicContact CE1-CB 3.9Å; Y376-L389 HydrophobicContact CE1-CD1 3.85Å; Y376-L389 HydrophobicContact CE1-CG 4.47Å; Y376-L504 HydrophobicContact CE1-CB 3.98Å; Y376-L504 HydrophobicContact CE1-CD2 4.32Å; Y376-L504 HydrophobicContact CE2-CD2 4.18Å
377R93.3Very high87.6Confident117 Ų11750.4 Ų50.444%0.44225%0.254SS..EExtended strand (participates in β ladder)trans-77.4117.6157.8-173.1176-178.9-842.2107.6Y358 T388 I390Y358-R377 HydrophobicContact CD1-CB 4.22Å; Y358-R377 HydrophobicContact CD1-CG 4.48Å; Y358-R377 HydrophobicContact CE1-CB 4.05Å; Y358-R377 HydrophobicContact CE1-CG 4.06Å; R377-T388 PolarHBondContact N-O 2.97Å; R377-T388 PolarHBondContact O-N 2.87Å; R377-I390 HydrophobicContact CB-CD1 4.21Å; R377-I390 HydrophobicContact CB-CG1 4.45Å
378C94.2Very high88.4Confident0 Ų050 Ų500%025%0.248CC..EExtended strand (participates in β ladder)trans-114.5146.4-170.8-67.50000112.6S356 G357 L359 Y376 L385 W386 C387 W839S356-C378 WeakPolarHBondContact CA-O 3.37Å; S356-C378 WeakPolarHBondContact CB-O 3.3Å; G357-C378 PolarHBondContact N-O 3.4Å; G357-C378 VanDerWaalsContact N-O 3.11Å; G357-C378 PolarHBondContact O-N 3.39Å; L359-C378 HydrophobicContact CD1-CB 3.96Å; L359-C378 HydrophobicContact CG-CB 4.42Å; Y376-C378 VanDerWaalsContact CB-SG 3.54Å; C378-L385 HydrophobicContact CB-CD1 4.07Å; C378-L385 HydrophobicContact CB-CG 4.32Å; C378-W386 CarbonylContact C-O 3.58Å; C378-W386 VanDerWaalsContact CA-O 3.28Å; C378-W386 WeakPolarHBondContact CA-O 3.41Å; C378-C387 VanDerWaalsContact SG-SG 3.62Å; C378-W839 HydrophobicContact CB-CH2 3.96Å; C378-W839 HydrophobicContact CB-CZ2 4.19Å
379E93.6Very high89.3Confident40 Ų4046.2 Ų46.219%0.18722%0.222CC..EExtended strand (participates in β ladder)trans-137.9115.5176.7-171179.8139.700109.7P353 R381 W386P353-E379 HydrophobicContact CB-CG 3.5Å; P353-E379 HydrophobicContact CG-CG 4.32Å; E379-R381 WeakPolarHBondContact OE1-CD 3.38Å; E379-R381 IonicContact OE1-CZ 3.84Å; E379-R381 IonicContact OE1-NE 3.92Å; E379-R381 IonicContact OE1-NH1 3.78Å; E379-R381 PolarHBondContact OE1-NH1 2.97Å; E379-R381 IonicContact OE2-NH1 3.93Å; E379-W386 HydrophobicContact CB-CB 4.49Å; E379-W386 PolarHBondContact N-O 2.65Å; E379-W386 PolarHBondContact O-N 3.44Å
380L93.6Very high89.7Confident0 Ų040.9 Ų40.90%019%0.194CC..EExtended strand (participates in β ladder)trans-89.5114176.3179.367.7000109.8P353 L354 K355 L385 I508 W839 I842 M843 H846P353-L380 CarbonylContact C-O 3.47Å; P353-L380 WeakPolarHBondContact CA-O 3.2Å; L354-L380 HydrophobicContact CB-CD2 4.4Å; L354-L380 HydrophobicContact CD1-CD2 4.41Å; L354-L380 PolarHBondContact N-O 3.47Å; K355-L380 PolarHBondContact O-N 3.4Å; L380-L385 HydrophobicContact CB-CD1 3.94Å; L380-L385 HydrophobicContact CD1-CD1 4.35Å; L380-I508 HydrophobicContact CD1-CB 4.3Å; L380-I508 HydrophobicContact CD1-CG1 4.21Å; L380-I508 HydrophobicContact CD1-CG2 4.35Å; L380-W839 HydrophobicContact CB-CZ3 3.98Å; L380-I842 HydrophobicContact CD2-CG1 4.45Å; L380-I842 HydrophobicContact CD2-CG2 4.04Å; L380-M843 HydrophobicContact CD2-CG 4.05Å; L380-H846 HydrophobicContact CD2-CB 4.26Å
381R89.3Confident89.4Confident87 Ų8743.5 Ų43.533%0.32821%0.21SC..EExtended strand (participates in β ladder)trans-153.2160.2175.966.3178.5-179.1-150.27.5111.6E379 R383 Y384E379-R381 WeakPolarHBondContact OE1-CD 3.38Å; E379-R381 IonicContact OE1-CZ 3.84Å; E379-R381 IonicContact OE1-NE 3.92Å; E379-R381 IonicContact OE1-NH1 3.78Å; E379-R381 PolarHBondContact OE1-NH1 2.97Å; E379-R381 IonicContact OE2-NH1 3.93Å; R381-R383 PolarHBondContact O-N 3.09Å; R381-Y384 PolarHBondContact N-O 3.34Å; R381-Y384 VanDerWaalsContact N-O 3.12Å; R381-Y384 PolarHBondContact O-N 3.15Å
382D89Confident88.2Confident21 Ų2142.8 Ų42.811%0.11221%0.205CC..THydrogen-bonded Turntrans55.7-102.9-178.217748.3000113S349 Y384 H846 F858S349-D382 PolarHBondContact O-N 2.96Å; D382-Y384 WeakPolarHBondContact OD2-CD2 3.45Å; D382-Y384 WeakPolarHBondContact OD2-CE2 3.08Å; D382-H846 PolarHBondContact O-CE1 2.88Å; D382-H846 PolarHBondContact O-NE2 2.77Å; D382-F858 VanDerWaalsContact O-CD1 3.24Å; D382-F858 WeakPolarHBondContact O-CD1 3.19Å; D382-F858 WeakPolarHBondContact OD1-CB 3.45Å
383R91.3Very high86.2Confident43 Ų4342.7 Ų42.716%0.16221%0.206CC..THydrogen-bonded Turntrans-134.327.7173.9-56.7-171.9-68.6157.92.2111.4R381 I508 L783 F858R381-R383 PolarHBondContact O-N 3.09Å; R383-I508 CarbonylContact C-O 3.59Å; R383-I508 WeakPolarHBondContact CA-O 3.34Å; R383-I508 PolarHBondContact O-N 3.37Å; R383-I508 VanDerWaalsContact O-O 3.14Å; R383-L783 HydrophobicContact CB-CD1 4.1Å; R383-F858 HydrophobicContact CG-CB 3.82Å; R383-F858 HydrophobicContact CG-CD1 4.15Å; R383-F858 HydrophobicContact CG-CG 4.06Å
384Y92.8Very high83.7Confident33 Ų3348 Ų4813%0.12923%0.231CC..EExtended strand (participates in β ladder)trans-143.1141.4-170.3-59.3-80.2000112R381 D382 W386 I505 I506 P507 L783R381-Y384 PolarHBondContact N-O 3.34Å; R381-Y384 VanDerWaalsContact N-O 3.12Å; R381-Y384 PolarHBondContact O-N 3.15Å; D382-Y384 WeakPolarHBondContact OD2-CD2 3.45Å; D382-Y384 WeakPolarHBondContact OD2-CE2 3.08Å; Y384-W386 HydrophobicContact CD2-CZ2 4.41Å; Y384-I505 HydrophobicContact CD1-CG2 3.54Å; Y384-I505 HydrophobicContact CE1-CG2 4.29Å; Y384-I505 HydrophobicContact CG-CG2 3.97Å; Y384-I506 CarbonylContact C-O 3.54Å; Y384-I506 WeakPolarHBondContact CA-O 3.15Å; Y384-P507 HydrophobicContact CD1-CB 4.42Å; Y384-P507 HydrophobicContact CD1-CG 4.47Å; Y384-P507 HydrophobicContact CE1-CB 4.41Å; Y384-P507 HydrophobicContact CE1-CG 4.35Å; Y384-L783 HydrophobicContact CE1-CD1 3.93Å; Y384-L783 HydrophobicContact CE2-CD1 4.37Å; Y384-L783 WeakPolarHBondContact OH-CD1 3.31Å
385L94.8Very high80.9Confident0 Ų052 Ų520%025%0.254CS..EExtended strand (participates in β ladder)trans-90.7109.4159.5-170.672.3000108L359 I361 C378 L380 C387 I506 I508 F809 W839 M843L359-L385 HydrophobicContact CD1-CD2 3.98Å; I361-L385 HydrophobicContact CD1-CD2 4.28Å; C378-L385 HydrophobicContact CB-CD1 4.07Å; C378-L385 HydrophobicContact CB-CG 4.32Å; L380-L385 HydrophobicContact CB-CD1 3.94Å; L380-L385 HydrophobicContact CD1-CD1 4.35Å; L385-C387 PolarHBondContact O-SG 2.73Å; L385-I506 HydrophobicContact CB-CB 4.27Å; L385-I506 HydrophobicContact CD2-CD1 4.42Å; L385-I506 PolarHBondContact N-O 2.84Å; L385-I506 PolarHBondContact O-N 2.95Å; L385-I508 HydrophobicContact CB-CG1 4.17Å; L385-F809 HydrophobicContact CD2-CD1 4.49Å; L385-F809 HydrophobicContact CD2-CE1 3.79Å; L385-W839 HydrophobicContact CD1-CE3 4.49Å; L385-W839 HydrophobicContact CD1-CH2 4.1Å; L385-W839 HydrophobicContact CD1-CZ3 3.65Å; L385-M843 HydrophobicContact CD1-CE 4Å; L385-M843 HydrophobicContact CD2-CE 3.75Å; L385-M843 HydrophobicContact CG-CE 4.46Å
386W93.8Very high77.9Confident71 Ų7161.6 Ų61.627%0.26930%0.298SS..EExtended strand (participates in β ladder)trans-85.6123.5176.4-60.678000108.4C378 E379 Y384 A502 I505C378-W386 CarbonylContact C-O 3.58Å; C378-W386 VanDerWaalsContact CA-O 3.28Å; C378-W386 WeakPolarHBondContact CA-O 3.41Å; E379-W386 HydrophobicContact CB-CB 4.49Å; E379-W386 PolarHBondContact N-O 2.65Å; E379-W386 PolarHBondContact O-N 3.44Å; Y384-W386 HydrophobicContact CD2-CZ2 4.41Å; W386-A502 HydrophobicContact CE3-CB 3.89Å; W386-I505 HydrophobicContact CE3-CD1 3.88Å; W386-I505 HydrophobicContact CE3-CG1 4.01Å; W386-I505 HydrophobicContact CH2-CD1 4.19Å; W386-I505 HydrophobicContact CZ3-CD1 3.53Å; W386-I505 HydrophobicContact CZ3-CG1 4.19Å
387C94.3Very high74.8Confident0 Ų063.9 Ų63.90%033%0.331CS..EExtended strand (participates in β ladder)trans-124.7121-172.4-49.70000109.3I361 Y376 C378 L385 D503 L504I361-C387 HydrophobicContact CD1-CB 4.43Å; Y376-C387 HydrophobicContact CD1-CB 3.7Å; Y376-C387 HydrophobicContact CE1-CB 4.45Å; Y376-C387 HydrophobicContact CG-CB 3.9Å; C378-C387 VanDerWaalsContact SG-SG 3.62Å; L385-C387 PolarHBondContact O-SG 2.73Å; C387-D503 PolarHBondContact O-N 2.93Å; C387-D503 VanDerWaalsContact O-N 3.07Å; C387-L504 WeakPolarHBondContact CA-O 3.1Å; C387-L504 HydrophobicContact CB-CB 3.94Å; C387-L504 HydrophobicContact CB-CG 4.33Å; C387-L504 VanDerWaalsContact CB-O 3.26Å; C387-L504 WeakPolarHBondContact CB-O 3.17Å; C387-L504 PolarHBondContact N-O 2.8Å; C387-L504 PolarHBondContact O-N 3Å; C387-L504 VanDerWaalsContact O-N 3.09Å
388T92.9Very high71.5Confident42 Ų4263.3 Ų63.326%0.25835%0.345SS..EExtended strand (participates in β ladder)trans-106.6126.8172.7-48.70000108.8Y376 R377 C500 D503Y376-T388 CarbonylContact C-O 3.59Å; Y376-T388 VanDerWaalsContact CA-O 3.26Å; Y376-T388 WeakPolarHBondContact CA-O 3.49Å; R377-T388 PolarHBondContact N-O 2.97Å; R377-T388 PolarHBondContact O-N 2.87Å; T388-C500 HydrophobicContact CG2-CB 4.24Å; T388-D503 WeakPolarHBondContact CA-OD2 3.22Å
389L90.6Very high68.2Low46 Ų4668.3 Ų68.324%0.24138%0.38CS..EExtended strand (participates in β ladder)trans-70.1140.3-175.8-178.666.9000110.7M374 Y376 D503M374-L389 HydrophobicContact CB-CD1 3.89Å; M374-L389 HydrophobicContact CE-CD1 3.78Å; M374-L389 HydrophobicContact CE-CD2 3.97Å; M374-L389 HydrophobicContact SD-CD1 4.33Å; Y376-L389 HydrophobicContact CD1-CB 4.09Å; Y376-L389 HydrophobicContact CD1-CD1 4.24Å; Y376-L389 HydrophobicContact CE1-CB 3.9Å; Y376-L389 HydrophobicContact CE1-CD1 3.85Å; Y376-L389 HydrophobicContact CE1-CG 4.47Å; L389-D503 HydrophobicContact CB-CB 4.16Å; L389-D503 PolarHBondContact N-OD2 3.06Å
390I85Confident65Low26 Ų2673.8 Ų73.813%0.13341%0.405CS..  trans-101.7110.1173-54.8-172.1000108.5Y358 L375 R377 T392 L819 L822Y358-I390 HydrophobicContact CD1-CD1 3.42Å; Y358-I390 VanDerWaalsContact CD1-CD1 3.42Å; Y358-I390 HydrophobicContact CE1-CD1 3.38Å; L375-I390 HydrophobicContact CD2-CB 4.44Å; L375-I390 HydrophobicContact CD2-CD1 4.23Å; L375-I390 HydrophobicContact CG-CB 4.32Å; L375-I390 HydrophobicContact CG-CD1 4.09Å; L375-I390 HydrophobicContact CG-CG1 4.45Å; L375-I390 PolarHBondContact O-N 2.97Å; R377-I390 HydrophobicContact CB-CD1 4.21Å; R377-I390 HydrophobicContact CB-CG1 4.45Å; I390-T392 PolarHBondContact O-N 2.9Å; I390-T392 VanDerWaalsContact O-N 3.15Å; I390-L819 HydrophobicContact CG2-CD1 4.19Å; I390-L822 HydrophobicContact CG2-CD1 4.21Å
391N69.7Low61.8Low105 Ų10581 Ų8156%0.56144%0.439SS*.  trans-74.3101.8175-75.1-18.8000110S393N391-S393 PolarHBondContact O-N 2.83Å
392T55.1Low58.6Low56 Ų5687 Ų8734%0.34447%0.468SS..  trans-77.235.3174.961.50000112.8I390I390-T392 PolarHBondContact O-N 2.9Å; I390-T392 VanDerWaalsContact O-N 3.15Å
393S39.1Very low55.6Low81 Ų8190.3 Ų90.357%0.56649%0.493SS*.  trans-153.982.1-176.465.40000111.8N391N391-S393 PolarHBondContact O-N 2.83Å
394H35.1Very low52.3Low130 Ų13093.9 Ų93.960%0.60252%0.524SS*.  trans-111.693.8160.7-93-84.6000109.5N823H394-N823 PolarHBondContact N-OD1 2.94Å
395N29.2Very low49.2Very low161 Ų16196.2 Ų96.286%0.86155%0.546SS*.  trans-75.5127.1155.3-89.8-0000107.8G397N395-G397 PolarHBondContact O-N 2.86Å; N395-G397 VanDerWaalsContact O-N 3.12Å
396E26.6Very low45.9Very low205 Ų205104.1 Ų104.196%0.95859%0.587SS**  trans-59.2116.1168.8-66.9-168.6133.600109.8
397G27.1Very low42.9Very low78 Ų78111.5 Ų111.580%0.80462%0.615SS**  trans-141.42418000000112.1N395N395-G397 PolarHBondContact O-N 2.86Å; N395-G397 VanDerWaalsContact O-N 3.12Å
398S24.9Very low39.9Very low105 Ų105118.8 Ų118.873%0.73465%0.649SS**  trans-154.564.617366.20000110.9
399S23.5Very low36.9Very low105 Ų105122.8 Ų122.873%0.73467%0.669SS**  trans-69.2151.4149.351.60000108.7
400H27.1Very low34Very low154 Ų154127.5 Ų127.571%0.71369%0.694SS**  trans76.6121.4-161.3-55.5-85000113.9
401E25.8Very low31.4Very low153 Ų153135.7 Ų135.772%0.71573%0.732SS**  cis-160.6149.3-1.8-138.9158.8-129.300111.5S403E401-S403 PolarHBondContact O-N 2.95Å; E401-S403 VanDerWaalsContact O-N 3.12Å
402F22.6Very low29.6Very low211 Ų211137.1 Ų137.193%0.92574%0.744SS**  trans-69.1102.8158.6-97.9-94.9000108.1
403S25.4Very low28.6Very low91 Ų91139.7 Ų139.764%0.63677%0.765SS**  trans-130.991163-167.90000111.4E401 S405E401-S403 PolarHBondContact O-N 2.95Å; E401-S403 VanDerWaalsContact O-N 3.12Å; S403-S405 PolarHBondContact O-N 3.3Å
404S23.4Very low28.1Very low118 Ų118145.1 Ų145.183%0.82578%0.778SS**  trans-79.179.6168.2550000110.6
405S26.6Very low27.8Very low83 Ų83143.6 Ų143.658%0.5878%0.781SS**  trans-160131.5165.752.70000116.3S403S403-S405 PolarHBondContact O-N 3.3Å
406L27.1Very low27.9Very low166 Ų166142.2 Ų142.287%0.86977%0.773SS**  trans70.3114.9149.5-8875000122
407R28.9Very low28.1Very low226 Ų226139.2 Ų139.285%0.85376%0.764SS**  trans-12.2128.5144-65.5179.1172.7-163.9-2.3118.3
408Q32.4Very low28.5Very low153 Ų153143.2 Ų143.272%0.71577%0.766SS**  trans65.3107.2130-71.1-177.2-40.900121.4
409N30.1Very low28.7Very low126 Ų126141.5 Ų141.567%0.67477%0.765SS**  94.3114.7119.3-64.2-2.1000120.6
410N29.5Very low29.2Very low144 Ų144143.8 Ų143.877%0.7778%0.775SS**  trans53110.8137.9-59.6-5.7000119.5
411Q30.8Very low29.3Very low198 Ų198140 Ų14093%0.92578%0.778SS**  -171.5153.697.1-98.4174.32900111.6
412V32.3Very low29.6Very low135 Ų135138 Ų13882%0.81878%0.781SS**  trans-108.8125.4175.7167.30000109.3
413S33.6Very low30Very low111 Ų111133.8 Ų133.878%0.77678%0.776SS**  trans17.2132162.362.30000121.4
414K27.5Very low30.5Very low194 Ų194134.7 Ų134.784%0.84378%0.782SS**  trans-110.1133.9157.4-130.8179.9-175.6-174.30107.6
415C30.1Very low30.9Very low98 Ų98136.4 Ų136.466%0.66278%0.782SS**  159.5149.3100.6-92.70000106.1
416D29.8Very low31.7Very low132 Ų132137.3 Ų137.371%0.70679%0.786SS**  cis-152.1157.6-5.4-80.1-43.2000108
417D32.4Very low32Very low142 Ų142136.1 Ų136.176%0.75979%0.786SS**  170.2147.3102.6-119.4-27.4000115.8
418L34.2Very low32.2Very low162 Ų162128.7 Ų128.785%0.84878%0.779SS**  trans56.7124.2154.9-65.2163.6000122.5
419G30.6Very low32.3Very low70 Ų70129.4 Ų129.472%0.72279%0.786SS**  trans148.856.8150.200000121.4
420T32.3Very low32.2Very low152 Ų152130.4 Ų130.493%0.93379%0.792SS**  trans32.6125.6148.548.40000122.4
421G30.2Very low32.3Very low76 Ų76127.9 Ų127.978%0.78479%0.786SS**  trans157.384146.100000121.4
422S32.5Very low32.2Very low110 Ų110126.5 Ų126.577%0.76978%0.779SS**  trans60.8110141.2-177.70000122.9
423C30.9Very low32.1Very low123 Ų123125.5 Ų125.583%0.83177%0.769SS**  55.4139.9128.3-54.50000121.2
424S34.5Very low31.8Very low109 Ų109128.4 Ų128.476%0.76277%0.768SS**  cis-163.7122.71442.90000114.6
425N31.8Very low31.9Very low155 Ų155126.9 Ų126.983%0.82977%0.769SS**  24.8160.2124.4-84.53.9000123.5
426P44.1Very low31.9Very low101 Ų101130 Ų13066%0.65677%0.774SS**  cis-149.7-162.8-42.941.7-20.7000115
427T34.8Very low31.9Very low142 Ų142129.6 Ų129.687%0.87177%0.772SS**  trans106.4124.7162.467.10000117.6
428G31.9Very low32Very low69 Ų69130.5 Ų130.571%0.71177%0.771SS**  cis-179.9161.8-13.500000117.3
429I34.9Very low31.9Very low168 Ų168129.4 Ų129.486%0.86276%0.762SS**  trans8384147.4-51.2173.9000119.6
430N28.5Very low31.8Very low147 Ų147132.3 Ų132.379%0.78676%0.758SS**  -8.1160.2123.1-62.98.6000118.2
431S30.7Very low31.6Very low92 Ų92133 Ų13364%0.64375%0.749SS**  cis179.2153.7-244.70000109.6
432E29.5Very low31.7Very low168 Ų168135.9 Ų135.979%0.78575%0.745SS**  trans49.9153.3138.6-65.6-175.4-154.600122
433N30.4Very low32.4Very low115 Ų115136 Ų13662%0.61574%0.742SS**  cis-162.2160.4-6.3-115.1-32.9000110.4
434F25.8Very low32.9Very low172 Ų172135.6 Ų135.675%0.75474%0.739SS**  trans23.3128.6157.5-79.7-96.2000123.8
435N29.7Very low32.6Very low162 Ų162138.7 Ų138.787%0.86674%0.738SS**  -173.6174.4110.6-100-29.6000114.7
436Q31.5Very low32.5Very low162 Ų162137.7 Ų137.776%0.75773%0.729SS**  trans-113149.4-159.9-80.1-179.9-19.500117.4
437N29.8Very low31.8Very low124 Ų124140.4 Ų140.466%0.66373%0.732SS**  trans80.1150.4142.3-61-10.4000124.9
438H33.1Very low31.5Very low161 Ų161138.2 Ų138.275%0.74572%0.723SS**  trans71.6142.3171.1-63.5-90.6000117.5
439E32.1Very low31.5Very low139 Ų139142.2 Ų142.265%0.6572%0.723SS**  cis-163.2155.6-0.7-127.4174-153.200114.3
440M29.4Very low31.3Very low132 Ų132141 Ų14165%0.6571%0.714SS**  trans43.5154.4157.5-64.2-168.6-77.400122.3
441F28.1Very low31.3Very low167 Ų167139.6 Ų139.673%0.73271%0.706SS**  cis-156.513140-108.5-89.8000115.5
442I30.9Very low31.2Very low136 Ų136141.5 Ų141.570%0.69771%0.709SS**  trans41131.5134.4-51.2-174.7000124.8
443P48.5Very low31.3Very low111 Ų111142.8 Ų142.872%0.72171%0.712SS**  trans-106.8-179.7163.143.6-35.4000113.8
444P40.1Very low31Very low116 Ų116144.3 Ų144.375%0.75372%0.719SS**  -166.8177.391.743.9-21.3000120.5
445K29.4Very low31.3Very low173 Ų173146 Ų14675%0.75273%0.726SS**  trans16153.3144.1-67.4171.3145-142.70122.7
446E28.9Very low31Very low135 Ų135145.2 Ų145.263%0.63172%0.722SS**  cis-177.3168.943-133.8156.4-137.100115
447H30.5Very low30.9Very low157 Ų157145.8 Ų145.873%0.72773%0.73SS**  trans64.3110.8153.7-74.7-61.6000128.1
448S28.2Very low30.7Very low97 Ų97145.7 Ų145.768%0.67873%0.734SS**  91.1150.3116.677.50000126.1
449H32.1Very low30.4Very low153 Ų153143.8 Ų143.871%0.70874%0.738SS**  trans81.9110.9161.1-75.2-84.8000124.2
450E29.3Very low30.2Very low143 Ų143142.4 Ų142.467%0.66874%0.744SS**  89.1132.2123.1-85.5-179.2-131.800127.2
451N30.5Very low30Very low117 Ų117145.5 Ų145.563%0.62675%0.754SS**  trans81.6116.2142.5-56-20000123.9
452D28.2Very low30.1Very low132 Ų132143.4 Ų143.471%0.70676%0.757SS**  trans45.8128.2133.5-58.1-24.9000122.8
453F30Very low29.7Very low194 Ų194143.1 Ų143.185%0.85176%0.762SS**  -177.3151.391.6-111.4-84.6000113.4
454L25Very low28.8Very low147 Ų147144.4 Ų144.477%0.7777%0.768SS**  trans-66.4150.3170.1-75.685.3000112.6
455K32.1Very low28Very low207 Ų207146 Ų14690%0.977%0.77SS**  -164135.2127.9-108.7156.2-171.7173.90114.3
456N24.3Very low28Very low146 Ų146145.8 Ų145.878%0.78178%0.776SS**  trans-66.4153.7165.1-66.6-40.2000110.9
457L29Very low27.7Very low175 Ų175144 Ų14492%0.91678%0.778SS**  trans-146.9142.3141.2-139.583.8000111.8
458T24.4Very low27.6Very low121 Ų121147.6 Ų147.674%0.74279%0.786SS**  trans-105.4171.6-176.541.20000112.7
459S27.1Very low27.6Very low121 Ų121149.4 Ų149.485%0.84679%0.788SS**  trans80137.1173.578.90000114.9
460S29.1Very low27.4Very low110 Ų110149.1 Ų149.177%0.76979%0.791SS**  cis-160.7161.940.447.30000113.2
461F24.8Very low27.2Very low198 Ų198149.5 Ų149.587%0.86880%0.797SS**  trans-82.3160.4161.9-69.8-93.1000109.9
462P30.3Very low27Very low122 Ų122149.5 Ų149.579%0.79281%0.807SS**  -145.115992.236.7-20.3000116.3
463T22.5Very low26.9Very low130 Ų130147.5 Ų147.580%0.79881%0.808SS**  trans-78.7139.4171.9-1.40000112.3
464V29.1Very low26.8Very low138 Ų138147.7 Ų147.784%0.83681%0.812SS**  trans-142.9117.3153.71800000109.3
465D22.2Very low26.8Very low150 Ų150149.3 Ų149.380%0.80281%0.813SS**  trans-83.7142.4161.2-103.5-46.8000109.5
466L29.8Very low26.5Very low169 Ų169146.9 Ų146.989%0.88581%0.805SS**  trans-170.4150.5140.8-105.8169000112.3
467S24.2Very low26.7Very low97 Ų97149.8 Ų149.868%0.67881%0.811SS**  trans-96.9149.7-171.360.50000114
468R28.4Very low26.5Very low232 Ų232147.4 Ų147.488%0.87580%0.799SS**  160.4129.7117.8-103.2176.8169.9164-1.6114.7
469N26.9Very low26.7Very low136 Ų136149.1 Ų149.173%0.72780%0.798SS**  trans6.5127.3148.7-48.5-7.2000120.1
470N28.2Very low26.8Very low146 Ų146149.4 Ų149.478%0.78180%0.795SS**  -180168.692.9-97.7-33.1000115
471L25.6Very low26.6Very low151 Ų151148.9 Ų148.979%0.79179%0.791SS**  trans-56.8146.5-176.8-55.976.5000112.9
472S26.1Very low26.7Very low118 Ų118146.5 Ų146.583%0.82579%0.792SS**  175.8159.366.344.50000113
473A25Very low26.5Very low90 Ų90145.6 Ų145.674%0.74479%0.789SS**  trans0.1131.5168.800000122.6
474Q28.1Very low26.7Very low197 Ų197146 Ų14692%0.92180%0.796SS**  trans-149.5157.4130.4-152.482.58.500110
475K26.3Very low26.6Very low182 Ų182144.7 Ų144.779%0.79179%0.793SS**  trans-92.5155.9-173.1-76.9176.4171176.30113.6
476Q25.3Very low27Very low156 Ų156146.2 Ų146.273%0.72980%0.8SS**  trans69.3114.4133.4-177.3174.220.800119.7
477F28Very low26.8Very low207 Ų207142.1 Ų142.191%0.90880%0.798SS**  -156.7158.7118.8-104.6-72.2000109.9
478D25.2Very low27.1Very low125 Ų125142.6 Ų142.667%0.66880%0.802SS**  trans-135.1173.5-154.6-140.6-28.4000112.2
479H28.5Very low27Very low157 Ų157135.7 Ų135.773%0.72780%0.803SS**  trans78.6148.9171.5-40-53.1000116.9
480T28.5Very low27Very low127 Ų127135.1 Ų135.178%0.77980%0.798SS**  cis-145.5128.322.8-50000113.9
481S26.1Very low26.9Very low99 Ų99134.3 Ų134.369%0.69279%0.794SS**  trans43.2128.6130.1670000124.2
482V27.4Very low27Very low147 Ų147136.5 Ų136.589%0.89179%0.792SS**  trans-126.4128.4134.8175.20000108.3
483S25.6Very low26.9Very low104 Ų104136.6 Ų136.673%0.72778%0.783SS**  trans-97.4144.2-177.749.40000112.1
484C27.1Very low27.1Very low138 Ų138138.8 Ų138.893%0.93278%0.782SS**  trans-138108.7158.4-89.20000108.4
485S25.9Very low27Very low111 Ų111137.6 Ų137.678%0.77678%0.78SS**  trans-101.5117.5178.953.10000110.5
486L31.4Very low27Very low181 Ų181133.5 Ų133.595%0.94878%0.775SS**  trans-130.2133.2154.2-112.794.7000108.5
487G24.6Very low27Very low83 Ų83129.8 Ų129.886%0.85677%0.766SS**  trans-82.8138.7-165.100000114.6
488S31.5Very low27.1Very low108 Ų108129.1 Ų129.176%0.75576%0.759SS**  trans-152116.3142.6-178.20000107.4I490S488-I490 PolarHBondContact O-N 3.38Å; S488-I490 VanDerWaalsContact O-N 3.13Å
489G25.6Very low27.4Very low86 Ų86131.1 Ų131.189%0.88777%0.77SS**  trans-75.798.1-17400000111.7
490I27.5Very low28.1Very low124 Ų124127.1 Ų127.164%0.63676%0.758SS**  trans-129122.2160.3-59178.2000106.4S488 R492S488-I490 PolarHBondContact O-N 3.38Å; S488-I490 VanDerWaalsContact O-N 3.13Å; I490-R492 PolarHBondContact O-N 3.21Å
491N25.3Very low29.4Very low130 Ų130127.7 Ų127.770%0.69575%0.752SS**  trans-59.599.4-177.4-102.1-34.7000111.2N493N491-N493 PolarHBondContact O-N 2.65Å
492R27.3Very low31.5Very low197 Ų197124.2 Ų124.274%0.74373%0.73SS**G310 helixtrans-82.71.8174.7-67.6-170.8-175.3-179.63.8113.6I490 L494I490-R492 PolarHBondContact O-N 3.21Å; R492-L494 VanDerWaalsContact C-N 3.32Å; R492-L494 PolarHBondContact O-N 3.13Å
493N26Very low34.1Very low119 Ų119122.2 Ų122.264%0.63671%0.714SS**G310 helixtrans-84.82.4-177.6-67.7-3.3000114.3N491N491-N493 PolarHBondContact O-N 2.65Å
494L27.5Very low37.1Very low137 Ų137119.2 Ų119.272%0.71769%0.69SS**G310 helixtrans-90.4-7.2174.1-80.7163.4000114R492R492-L494 VanDerWaalsContact C-N 3.32Å; R492-L494 PolarHBondContact O-N 3.13Å
495L26.6Very low40.2Very low171 Ų171116 Ų11690%0.89566%0.662SS**SBendtrans-106.55.6-176.5-126.178.3000115
496S26.5Very low43.4Very low96 Ų96110.7 Ų110.767%0.67163%0.625SS**SBendtrans-118.29.4-176.458.40000114.4
497S24.7Very low46.3Very low79 Ų79102.3 Ų102.355%0.55258%0.582SS**  trans-122.225.1-162.7-53.50000114.3
498Y31Very low49.5Very low193 Ų19398.4 Ų98.476%0.75754%0.541SS*.  trans-13982.5174.5-71.9-62.1000112C500Y498-C500 WeakPolarHBondContact CD1-SG 3.24Å; Y498-C500 PolarHBondContact O-N 2.89Å
499N31.2Very low52.4Low167 Ų16793.6 Ų93.689%0.89351%0.507SS*.  trans-74.157.9153.3-84.5-14.7000109.1H501N499-H501 PolarHBondContact O-N 2.9Å
500C42Very low55.4Low72 Ų7291.7 Ų91.749%0.48648%0.478SS..  trans-75.2113.3173.1-69.40000108.5T388 Y498T388-C500 HydrophobicContact CG2-CB 4.24Å; Y498-C500 WeakPolarHBondContact CD1-SG 3.24Å; Y498-C500 PolarHBondContact O-N 2.89Å
501H56.1Low58.3Low139 Ų13989.5 Ų89.564%0.64447%0.465SS*.  trans-61.7141.4160.9-67.5-77.8000108.5N499N499-H501 PolarHBondContact O-N 2.9Å
502A70.1Confident61.4Low27 Ų2783.8 Ų83.822%0.22344%0.435CS..  trans-75.6127.7178.700000110.4W386 L504 I505W386-A502 HydrophobicContact CE3-CB 3.89Å; A502-L504 VanDerWaalsContact C-N 3.29Å; A502-L504 PolarHBondContact O-N 2.73Å; A502-I505 HydrophobicContact CB-CD1 4.46Å; A502-I505 HydrophobicContact CB-CG1 3.97Å
503D82.5Confident64.4Low105 Ų10576.7 Ų76.756%0.56141%0.412SS*.SBendtrans-70.5-26.4179.6-51.7-78.3000112.6C387 T388 L389C387-D503 PolarHBondContact O-N 2.93Å; C387-D503 VanDerWaalsContact O-N 3.07Å; T388-D503 WeakPolarHBondContact CA-OD2 3.22Å; L389-D503 HydrophobicContact CB-CB 4.16Å; L389-D503 PolarHBondContact N-OD2 3.06Å
504L89.1Confident67.5Low41 Ų4172.2 Ų72.222%0.21539%0.386CS..EExtended strand (participates in β ladder)trans-140.9134.6176.6173.865.8000110.3I361 Y376 C387 A502 I506 F807I361-L504 HydrophobicContact CG2-CD2 4.22Å; Y376-L504 HydrophobicContact CE1-CB 3.98Å; Y376-L504 HydrophobicContact CE1-CD2 4.32Å; Y376-L504 HydrophobicContact CE2-CD2 4.18Å; C387-L504 WeakPolarHBondContact CA-O 3.1Å; C387-L504 HydrophobicContact CB-CB 3.94Å; C387-L504 HydrophobicContact CB-CG 4.33Å; C387-L504 VanDerWaalsContact CB-O 3.26Å; C387-L504 WeakPolarHBondContact CB-O 3.17Å; C387-L504 PolarHBondContact N-O 2.8Å; C387-L504 PolarHBondContact O-N 3Å; C387-L504 VanDerWaalsContact O-N 3.09Å; A502-L504 VanDerWaalsContact C-N 3.29Å; A502-L504 PolarHBondContact O-N 2.73Å; L504-I506 HydrophobicContact CD1-CG1 4.2Å; L504-I506 HydrophobicContact CD2-CD1 4.03Å; L504-I506 HydrophobicContact CD2-CG1 4.18Å; L504-I506 HydrophobicContact CG-CD1 4.36Å; L504-I506 HydrophobicContact CG-CG1 3.96Å; L504-F807 HydrophobicContact CD1-CE1 4.3Å
505I91.5Very high70.2Confident69 Ų6967.7 Ų67.735%0.35436%0.363SS..EExtended strand (participates in β ladder)trans-127.6113.4177.4-57.8173.9000107.8Y384 W386 A502Y384-I505 HydrophobicContact CD1-CG2 3.54Å; Y384-I505 HydrophobicContact CE1-CG2 4.29Å; Y384-I505 HydrophobicContact CG-CG2 3.97Å; W386-I505 HydrophobicContact CE3-CD1 3.88Å; W386-I505 HydrophobicContact CE3-CG1 4.01Å; W386-I505 HydrophobicContact CH2-CD1 4.19Å; W386-I505 HydrophobicContact CZ3-CD1 3.53Å; W386-I505 HydrophobicContact CZ3-CG1 4.19Å; A502-I505 HydrophobicContact CB-CD1 4.46Å; A502-I505 HydrophobicContact CB-CG1 3.97Å
506I92.8Very high72.7Confident0 Ų060 Ų600%032%0.323CS..EExtended strand (participates in β ladder)trans-104.4119.5-178.8-54.3177.7000108.9I361 Y384 L385 L504 I508 T780 F807 F809I361-I506 HydrophobicContact CD1-CD1 4.23Å; I361-I506 HydrophobicContact CG2-CD1 4.04Å; Y384-I506 CarbonylContact C-O 3.54Å; Y384-I506 WeakPolarHBondContact CA-O 3.15Å; L385-I506 HydrophobicContact CB-CB 4.27Å; L385-I506 HydrophobicContact CD2-CD1 4.42Å; L385-I506 PolarHBondContact N-O 2.84Å; L385-I506 PolarHBondContact O-N 2.95Å; L504-I506 HydrophobicContact CD1-CG1 4.2Å; L504-I506 HydrophobicContact CD2-CD1 4.03Å; L504-I506 HydrophobicContact CD2-CG1 4.18Å; L504-I506 HydrophobicContact CG-CD1 4.36Å; L504-I506 HydrophobicContact CG-CG1 3.96Å; I506-I508 HydrophobicContact CG2-CD1 4.26Å; I506-I508 PolarHBondContact O-N 2.87Å; I506-T780 HydrophobicContact CG2-CG2 3.9Å; I506-F807 HydrophobicContact CD1-CB 4.4Å; I506-F807 HydrophobicContact CD1-CD1 3.7Å; I506-F807 HydrophobicContact CD1-CD2 4.32Å; I506-F807 HydrophobicContact CD1-CE1 3.97Å; I506-F807 HydrophobicContact CD1-CG 3.89Å; I506-F807 HydrophobicContact CD1-CZ 4.39Å; I506-F807 HydrophobicContact CG1-CD1 4.32Å; I506-F807 HydrophobicContact CG1-CE1 4.1Å; I506-F807 HydrophobicContact CG1-CE2 4.34Å; I506-F807 HydrophobicContact CG1-CZ 4.12Å; I506-F807 HydrophobicContact CG2-CD2 3.82Å; I506-F807 HydrophobicContact CG2-CE2 3.86Å; I506-F807 HydrophobicContact CG2-CG 4.39Å; I506-F807 HydrophobicContact CG2-CZ 4.47Å; I506-F809 HydrophobicContact CD1-CE1 3.79Å; I506-F809 HydrophobicContact CD1-CZ 3.79Å
507P92.7Very high74.6Confident6 Ų660.1 Ų60.14%0.03932%0.324CS..EExtended strand (participates in β ladder)trans-63.2131.3173.5-20.832.8000111.4Y384 T780 C781 L783Y384-P507 HydrophobicContact CD1-CB 4.42Å; Y384-P507 HydrophobicContact CD1-CG 4.47Å; Y384-P507 HydrophobicContact CE1-CB 4.41Å; Y384-P507 HydrophobicContact CE1-CG 4.35Å; P507-T780 WeakPolarHBondContact O-CB 3.46Å; P507-T780 WeakPolarHBondContact O-CG2 3.41Å; P507-T780 PolarHBondContact O-OG1 3.5Å; P507-C781 WeakPolarHBondContact CB-O 3.08Å; P507-L783 HydrophobicContact CB-CD1 4.49Å; P507-L783 HydrophobicContact CB-CG 4.49Å
508I92.4Very high76.7Confident0 Ų060.2 Ų60.20%032%0.315CS..  trans-127.8104174.4-58-64.8000106.8L380 R383 L385 I506 T512 I778 V847 Q850L380-I508 HydrophobicContact CD1-CB 4.3Å; L380-I508 HydrophobicContact CD1-CG1 4.21Å; L380-I508 HydrophobicContact CD1-CG2 4.35Å; R383-I508 CarbonylContact C-O 3.59Å; R383-I508 WeakPolarHBondContact CA-O 3.34Å; R383-I508 PolarHBondContact O-N 3.37Å; R383-I508 VanDerWaalsContact O-O 3.14Å; L385-I508 HydrophobicContact CB-CG1 4.17Å; I506-I508 HydrophobicContact CG2-CD1 4.26Å; I506-I508 PolarHBondContact O-N 2.87Å; I508-T512 HydrophobicContact CD1-CG2 4.49Å; I508-I778 HydrophobicContact CD1-CD1 4.11Å; I508-I778 HydrophobicContact CD1-CG2 4.48Å; I508-V847 HydrophobicContact CG2-CG2 3.76Å; I508-Q850 PolarHBondContact O-NE2 3.22Å
509H91.4Very high78.9Confident8 Ų853 Ų534%0.03729%0.289CS..SBendtrans-150.5-176.8-171.465.998.2000113.3E511 T512 T780 C781 L783 V847 Q850H509-E511 WeakPolarHBondContact CE1-CB 3.42Å; H509-E511 WeakPolarHBondContact CE1-CG 3.39Å; H509-E511 IonicContact CE1-OE2 3.73Å; H509-E511 PolarHBondContact CE1-OE2 3.1Å; H509-E511 PolarHBondContact ND1-N 3.09Å; H509-E511 PolarHBondContact O-N 3.22Å; H509-E511 VanDerWaalsContact O-N 3.08Å; H509-T512 PolarHBondContact N-OG1 3.09Å; H509-T512 WeakPolarHBondContact O-CB 3.42Å; H509-T512 PolarHBondContact O-N 3.35Å; H509-T512 PolarHBondContact O-OG1 3.27Å; H509-T512 VanDerWaalsContact O-OG1 3.1Å; H509-T780 PolarHBondContact NE2-OG1 3.21Å; H509-C781 PolarHBondContact CE1-SG 3.33Å; H509-C781 PolarHBondContact NE2-N 3.05Å; H509-C781 PolarHBondContact NE2-O 3.36Å; H509-C781 PolarHBondContact NE2-SG 3.38Å; H509-L783 HydrophobicContact CB-CD2 4.16Å; H509-V847 WeakPolarHBondContact O-CG1 3.46Å; H509-Q850 VanDerWaalsContact CA-OE1 3.26Å
510T89.7Confident81.2Confident46 Ų4647 Ų4728%0.28226%0.259SS..THydrogen-bonded Turntrans-64.4-10-173.761.10000115.5Q850 E851T510-Q850 HydrophobicContact CG2-CB 3.77Å; T510-E851 HydrophobicContact CG2-CB 4.47Å; T510-E851 HydrophobicContact CG2-CG 3.72Å
511E87.7Confident82.6Confident77 Ų7746.8 Ų46.836%0.3625%0.253SS..THydrogen-bonded Turntrans-104.32.5173-44-175.6156.900113H509 D513H509-E511 WeakPolarHBondContact CE1-CB 3.42Å; H509-E511 WeakPolarHBondContact CE1-CG 3.39Å; H509-E511 IonicContact CE1-OE2 3.73Å; H509-E511 PolarHBondContact CE1-OE2 3.1Å; H509-E511 PolarHBondContact ND1-N 3.09Å; H509-E511 PolarHBondContact O-N 3.22Å; H509-E511 VanDerWaalsContact O-N 3.08Å; E511-D513 PolarHBondContact O-N 3.46Å
512T90.2Very high83.2Confident11 Ų1142.4 Ų42.47%0.06723%0.231CC..  trans-73.1116.3179.5-62.70000111.1I508 H509 F514 I778 A779 T780I508-T512 HydrophobicContact CD1-CG2 4.49Å; H509-T512 PolarHBondContact N-OG1 3.09Å; H509-T512 WeakPolarHBondContact O-CB 3.42Å; H509-T512 PolarHBondContact O-N 3.35Å; H509-T512 PolarHBondContact O-OG1 3.27Å; H509-T512 VanDerWaalsContact O-OG1 3.1Å; T512-F514 HydrophobicContact CG2-CE2 4.39Å; T512-I778 HydrophobicContact CG2-CG2 3.09Å; T512-A779 CarbonylContact C-O 3.52Å; T512-A779 WeakPolarHBondContact CA-O 3.46Å; T512-T780 PolarHBondContact OG1-OG1 3.3Å
513D89.9Confident82.8Confident47 Ų4748.3 Ų48.325%0.25125%0.253SS..BIsolated β-bridgetrans-92.3121.2-179.9-167.23.6000110.9E511 L515 R710 A779E511-D513 PolarHBondContact O-N 3.46Å; D513-L515 HydrophobicContact CB-CD2 4.48Å; D513-L515 PolarHBondContact O-N 3.3Å; D513-L515 VanDerWaalsContact O-N 3.15Å; D513-R710 IonicContact OD2-CZ 3.56Å; D513-R710 IonicContact OD2-NE 3.23Å; D513-R710 IonicContact OD2-NH2 3.8Å; D513-R710 PolarHBondContact OD2-NH2 3.12Å; D513-A779 HydrophobicContact CB-CB 4.38Å; D513-A779 PolarHBondContact N-O 2.91Å; D513-A779 PolarHBondContact O-N 2.85Å
514F90.8Very high81.4Confident25 Ų2545.4 Ų45.411%0.1124%0.239CC..  trans-8585.8174.2-68.4-97.5000108.8T512 D516 I778 F840 M843 K844 V847T512-F514 HydrophobicContact CG2-CE2 4.39Å; F514-D516 PolarHBondContact O-N 3.35Å; F514-D516 VanDerWaalsContact O-N 3.09Å; F514-I778 HydrophobicContact CD1-CD1 4.02Å; F514-I778 HydrophobicContact CD1-CG1 3.89Å; F514-I778 HydrophobicContact CE1-CD1 3.57Å; F514-I778 HydrophobicContact CE1-CG1 3.98Å; F514-I778 HydrophobicContact CZ-CD1 4.27Å; F514-F840 HydrophobicContact CD1-CD2 4.16Å; F514-F840 AromaticContact CD1-CE2 3.99Å; F514-F840 HydrophobicContact CD1-CE2 3.99Å; F514-M843 HydrophobicContact CE1-CB 3.85Å; F514-M843 HydrophobicContact CZ-CB 3.91Å; F514-K844 HydrophobicContact CD1-CD 4.3Å; F514-K844 HydrophobicContact CD1-CG 3.7Å; F514-K844 HydrophobicContact CD2-CG 3.89Å; F514-K844 HydrophobicContact CE1-CG 3.6Å; F514-K844 HydrophobicContact CE2-CG 3.79Å; F514-K844 HydrophobicContact CG-CD 4.29Å; F514-K844 HydrophobicContact CG-CG 3.85Å; F514-K844 HydrophobicContact CZ-CB 4.36Å; F514-K844 HydrophobicContact CZ-CG 3.65Å; F514-V847 HydrophobicContact CE2-CB 4.4Å; F514-V847 HydrophobicContact CE2-CG2 3.98Å; F514-V847 HydrophobicContact CZ-CG2 4.2Å
515L85.5Confident79.2Confident43 Ų4352.2 Ų52.223%0.22527%0.27CS..SBendtrans-52.3-35.2-172.7-61.8-177.2000113.8D513 R777 A779 V806D513-L515 HydrophobicContact CB-CD2 4.48Å; D513-L515 PolarHBondContact O-N 3.3Å; D513-L515 VanDerWaalsContact O-N 3.15Å; L515-R777 HydrophobicContact CB-CB 4.31Å; L515-R777 HydrophobicContact CD1-CB 4.21Å; L515-R777 PolarHBondContact N-O 2.81Å; L515-A779 HydrophobicContact CD1-CB 4.13Å; L515-A779 HydrophobicContact CD2-CB 3.87Å; L515-A779 HydrophobicContact CG-CB 3.97Å; L515-V806 HydrophobicContact CD1-CG1 3.6Å; L515-V806 HydrophobicContact CD1-CG2 4.31Å
516D79.6Confident76.4Confident9 Ų954.5 Ų54.55%0.04828%0.283CS..  trans-93.2110.4178.3-62.8-34.3000108.8F514 Q518 V520 R522 R777 F840F514-D516 PolarHBondContact O-N 3.35Å; F514-D516 VanDerWaalsContact O-N 3.09Å; D516-Q518 VanDerWaalsContact C-N 3.31Å; D516-Q518 WeakPolarHBondContact CB-O 3.34Å; D516-V520 HydrophobicContact CB-CG2 4.18Å; D516-R522 VanDerWaalsContact CG-NH2 3.35Å; D516-R522 IonicContact OD1-NH2 3.57Å; D516-R522 PolarHBondContact OD1-NH2 3.34Å; D516-R522 IonicContact OD2-CZ 3.62Å; D516-R522 IonicContact OD2-NH1 3.76Å; D516-R522 IonicContact OD2-NH2 2.71Å; D516-R522 PolarHBondContact OD2-NH2 2.88Å; D516-R777 IonicContact OD1-CZ 3.18Å; D516-R777 IonicContact OD1-NE 2.73Å; D516-R777 PolarHBondContact OD1-NE 3.21Å; D516-R777 IonicContact OD1-NH2 3.78Å; D516-R777 PolarHBondContact OD1-NH2 2.85Å; D516-R777 WeakPolarHBondContact OD2-CB 3.14Å; D516-R777 PolarHBondContact OD2-N 2.93Å; D516-R777 IonicContact OD2-NE 3.47Å; D516-R777 PolarHBondContact OD2-NE 2.96Å; D516-R777 IonicContact OD2-NH2 2.67Å; D516-F840 VanDerWaalsContact O-CZ 3.29Å; D516-F840 WeakPolarHBondContact O-CZ 3.28Å
517S65.9Low73.5Confident99 Ų9959.3 Ų59.369%0.69232%0.316SS*.SBendtrans-69.6-31-17951.90000112.9
518Q67.4Low70.6Confident80 Ų8064.2 Ų64.237%0.37435%0.346SS..SBendtrans-129.1158168.1-72.3167.916.300107.2D516 Y720D516-Q518 VanDerWaalsContact C-N 3.31Å; D516-Q518 WeakPolarHBondContact CB-O 3.34Å; Q518-Y720 PolarHBondContact NE2-O 3.19Å
519L78Confident67.4Low41 Ų4169.4 Ų69.422%0.21538%0.382CS..  trans-63.7147.6178.2-58.6177000110.9L774 F776 T836 I837 F840L519-L774 HydrophobicContact CB-CD1 3.59Å; L519-L774 HydrophobicContact CB-CD2 4.36Å; L519-L774 HydrophobicContact CB-CG 3.94Å; L519-L774 HydrophobicContact CD1-CD1 4.4Å; L519-L774 HydrophobicContact CD1-CD2 3.63Å; L519-L774 HydrophobicContact CD1-CG 3.98Å; L519-F776 HydrophobicContact CD2-CB 3.65Å; L519-F776 HydrophobicContact CD2-CD1 3.88Å; L519-F776 HydrophobicContact CD2-CG 4.14Å; L519-T836 HydrophobicContact CD1-CG2 4.46Å; L519-I837 HydrophobicContact CD1-CB 4.19Å; L519-I837 HydrophobicContact CD1-CD1 4.46Å; L519-I837 HydrophobicContact CD1-CG1 3.3Å; L519-F840 HydrophobicContact CD2-CB 3.86Å; L519-F840 HydrophobicContact CD2-CD1 3.84Å; L519-F840 HydrophobicContact CD2-CD2 3.91Å; L519-F840 HydrophobicContact CD2-CE1 4.22Å; L519-F840 HydrophobicContact CD2-CE2 4.27Å; L519-F840 HydrophobicContact CD2-CG 3.64Å; L519-F840 HydrophobicContact CD2-CZ 4.37Å; L519-F840 HydrophobicContact CG-CD1 4.39Å
520V79.1Confident64.4Low43 Ų4377.1 Ų77.126%0.26142%0.418SS..EExtended strand (participates in β ladder)trans-119122.6-174.1-174.80000109.6D516 R522 T775D516-V520 HydrophobicContact CB-CG2 4.18Å; V520-R522 HydrophobicContact CG1-CG 3.96Å; V520-R522 PolarHBondContact O-N 3.02Å; V520-T775 PolarHBondContact N-O 2.88Å; V520-T775 PolarHBondContact O-N 3.34Å; V520-T775 PolarHBondContact O-OG1 3.29Å
521L72.9Confident61.3Low66 Ų6684.7 Ų84.735%0.34644%0.441SS..EExtended strand (participates in β ladder)trans-68.4122.9166-83.4159000109.1L736 Q772 L773 L774L521-L736 HydrophobicContact CD1-CD1 4.12Å; L521-Q772 HydrophobicContact CD2-CB 3.95Å; L521-L773 CarbonylContact C-O 3.59Å; L521-L773 WeakPolarHBondContact CA-O 3.48Å; L521-L774 HydrophobicContact CG-CD1 4.21Å
522R68.4Low58.5Low48 Ų4887.5 Ų87.518%0.18146%0.464CS..EExtended strand (participates in β ladder)trans-126.9138.2176.4-66.9-177.4-172122.219109.9D516 V520 L773 T775 R777 E808D516-R522 VanDerWaalsContact CG-NH2 3.35Å; D516-R522 IonicContact OD1-NH2 3.57Å; D516-R522 PolarHBondContact OD1-NH2 3.34Å; D516-R522 IonicContact OD2-CZ 3.62Å; D516-R522 IonicContact OD2-NH1 3.76Å; D516-R522 IonicContact OD2-NH2 2.71Å; D516-R522 PolarHBondContact OD2-NH2 2.88Å; V520-R522 HydrophobicContact CG1-CG 3.96Å; V520-R522 PolarHBondContact O-N 3.02Å; R522-L773 PolarHBondContact N-O 3.25Å; R522-L773 PolarHBondContact O-N 3.49Å; R522-T775 HydrophobicContact CB-CG2 4.31Å; R522-T775 WeakPolarHBondContact CD-OG1 3.43Å; R522-T775 VanDerWaalsContact CZ-OG1 3.27Å; R522-T775 PolarHBondContact NH1-OG1 2.99Å; R522-R777 VanDerWaalsContact NH2-NE 3.11Å; R522-E808 WeakPolarHBondContact CD-OE1 3.44Å; R522-E808 IonicContact CZ-OE1 3.47Å; R522-E808 IonicContact NE-OE1 3.28Å; R522-E808 VanDerWaalsContact NH1-CD 3.32Å; R522-E808 IonicContact NH1-OE1 2.64Å; R522-E808 PolarHBondContact NH1-OE1 3.2Å
523Q60.5Low55.5Low151 Ų15193.8 Ų93.871%0.70650%0.497SS*.EExtended strand (participates in β ladder)trans-91.1128.3175.6-156.4161.90.200108.1Q772Q523-Q772 HydrophobicContact CB-CG 4.27Å; Q523-Q772 HydrophobicContact CG-CG 4.18Å
524T54.1Low52.6Low43 Ų43101.1 Ų101.126%0.26453%0.53SS..PPolyproline II helixtrans-75.4124.5177.623.60000111.2L526 F769 L773T524-L526 PolarHBondContact O-N 2.97Å; T524-F769 HydrophobicContact CG2-CD2 4.03Å; T524-L773 HydrophobicContact CG2-CD1 3.54Å
525E41.6Very low49.7Very low184 Ų184104.9 Ų104.986%0.8656%0.559SS**PPolyproline II helixtrans-69.6121.8170-68.4-175.8167.300110.1S527E525-S527 PolarHBondContact O-N 3.24Å
526L33.7Very low47Very low118 Ų118107.4 Ų107.462%0.61858%0.581SS**  trans-72.7100.7170.5-92.2165.4000109.5T524 V528 V768T524-L526 PolarHBondContact O-N 2.97Å; L526-V528 PolarHBondContact O-N 3.36Å; L526-V768 HydrophobicContact CD2-CB 4.29Å; L526-V768 HydrophobicContact CD2-CG1 3.59Å; L526-V768 HydrophobicContact CD2-CG2 3.69Å; L526-V768 HydrophobicContact CG-CG1 4.43Å
527S31.8Very low44.6Very low101 Ų101115.4 Ų115.471%0.70662%0.623SS**  trans-75.365.9173.744.20000112.3E525 S529E525-S527 PolarHBondContact O-N 3.24Å; S527-S529 PolarHBondContact O-N 3.05Å; S527-S529 VanDerWaalsContact O-N 3.16Å
528V31.8Very low43.1Very low109 Ų109118 Ų11866%0.66163%0.628SS**  trans-74.799.3164.6-179.70000108.3L526 Q530L526-V528 PolarHBondContact O-N 3.36Å; V528-Q530 VanDerWaalsContact C-N 3.34Å; V528-Q530 HydrophobicContact CG1-CG 4.42Å; V528-Q530 PolarHBondContact O-N 2.92Å
529S25.5Very low41.4Very low108 Ų108119.7 Ų119.776%0.75565%0.648SS**  trans-73.786.1173.1-170.50000110.4S527 R531S527-S529 PolarHBondContact O-N 3.05Å; S527-S529 VanDerWaalsContact O-N 3.16Å; S529-R531 PolarHBondContact O-N 3.27Å
530Q28.4Very low39.1Very low171 Ų171120.8 Ų120.880%0.79967%0.67SS**  trans-72.3106.6163.2-90.2-174.9-22.400109.3V528 T532V528-Q530 VanDerWaalsContact C-N 3.34Å; V528-Q530 HydrophobicContact CG1-CG 4.42Å; V528-Q530 PolarHBondContact O-N 2.92Å; Q530-T532 PolarHBondContact O-N 2.64Å
531R25.2Very low36.9Very low205 Ų205127 Ų12777%0.77470%0.702SS**  trans-70.6104.2162.4-71.2179.8177.9170.9-1108.6S529 N533S529-R531 PolarHBondContact O-N 3.27Å; R531-N533 PolarHBondContact O-N 2.83Å
532T28Very low34.9Very low135 Ų135130 Ų13083%0.82872%0.718SS**  trans-77.179.3163.552.80000109.6Q530Q530-T532 PolarHBondContact O-N 2.64Å
533N26.9Very low33.3Very low143 Ų143138.1 Ų138.177%0.76576%0.755SS**  trans-90.8101.4155.9-86.81.3000107.3R531R531-N533 PolarHBondContact O-N 2.83Å
534E30.1Very low31.9Very low202 Ų202137.7 Ų137.794%0.94476%0.757SS**  trans-153.6129.3148-121166.6-134.100110
535S29.2Very low31Very low103 Ų103144.9 Ų144.972%0.7279%0.785SS**  trans-112.4144.5-177.750.90000109.5
536S28.3Very low30.7Very low97 Ų97140.9 Ų140.968%0.67878%0.777SS**  trans49.7105.2159.558.70000117.7
537N30.6Very low30.6Very low177 Ų177141.5 Ų141.595%0.94778%0.781SS**  -145.7145.1128.2-95.1-41.4000110.6
538I32.8Very low30.6Very low153 Ų153144 Ų14479%0.78578%0.782SS**  trans-111.2133-163.5-76.8171.9000111
539S32.3Very low30.5Very low115 Ų115144.1 Ų144.180%0.80479%0.786SS**  trans46.6137.915673.70000122.1
540G30Very low30.8Very low65 Ų65143.6 Ų143.667%0.6778%0.783SS**  132.792.4118.100000117.8
541N33.4Very low31Very low173 Ų173142.7 Ų142.793%0.92578%0.782SS**  -174.1134.4119.2-95.3-22.2000111.9
542D31.4Very low31.3Very low129 Ų129138.1 Ų138.169%0.6978%0.781SS**  trans-86.1160.7-175.7-69.6-68.2000114
543F33.1Very low31.3Very low219 Ų219137.2 Ų137.296%0.96178%0.781SS**  -150.5112.4129.3-107.9-73.1000110.6
544N32.4Very low31.9Very low141 Ų141136.1 Ų136.175%0.75478%0.781SS**  trans-91.7162-178.1-86-55.2000113.1
545K35.5Very low32Very low195 Ų195135.5 Ų135.585%0.84878%0.775SS**  trans-139113.1161.9-132.5-176-172.4-177.30110.8
546S33.9Very low32.2Very low99 Ų99136.8 Ų136.869%0.69277%0.774SS**  trans53.7139.8159.354.20000119.8
547N33.1Very low32.4Very low132 Ų132139.4 Ų139.471%0.70678%0.78SS**  cis-163.6168.3-2.3-100.316.7000105.3
548E30.7Very low32.4Very low152 Ų152140.1 Ų140.171%0.7178%0.775SS**  cis-161.1162.70.4-123.7166120.500109.1
549C30.3Very low32.9Very low112 Ų112137.4 Ų137.476%0.75777%0.767SS**  trans57.6135.6161.7-64.80000119.9
550S31.9Very low32.9Very low97 Ų97138.8 Ų138.868%0.67877%0.766SS**  cis-170.8140.1-3.238.10000113.1
551I32.4Very low33Very low152 Ų152140.3 Ų140.378%0.77977%0.767SS**  trans83.6112144-64.2161.9000121.6
552S30.7Very low32.9Very low110 Ų110139 Ų13977%0.76976%0.759SS**  trans75.3133.8145.469.40000122.9
553S27.8Very low32.8Very low116 Ų116138.6 Ų138.681%0.81176%0.761SS**  trans-114-161.8176.8-43.70000110.1
554P40.6Very low32.7Very low119 Ų119137 Ų13777%0.77375%0.754SS**  -123.8-179.5-118.636.1-15.7000115
555K32.9Very low32.8Very low189 Ų189135.3 Ų135.382%0.82275%0.752SS**  trans-150.5117.1154.2-73.2-159.1176.5-174.50112.9
556D32.4Very low32.5Very low131 Ų131133.8 Ų133.870%0.70175%0.747SS**  48.5131.2121.1-45.1-29.9000123.3
557D33Very low32.4Very low151 Ų151136.7 Ų136.781%0.80775%0.75SS**  trans73.6101.2139.6-60.7-23.7000125
558K29.8Very low32.4Very low192 Ų192134.6 Ų134.684%0.83575%0.751SS**  1168121-82.9-175.3175.9176.30120.5
559P43.7Very low32.4Very low96 Ų96132.8 Ų132.862%0.62375%0.746SS**  cis-145.3-166.5-29.741.4-21.9000115.5
560N31.3Very low32.6Very low144 Ų144134 Ų13477%0.7775%0.75SS**  trans80.3112.6155.4-66.5-2000119.4
561S33.2Very low32.5Very low98 Ų98135.5 Ų135.569%0.68575%0.75SS**  78.8139.79776.50000115.1
562D30.7Very low32.3Very low145 Ų145139.3 Ų139.378%0.77576%0.756SS**  cis-166.6154.63.3-118.5-24000112.6
563V30Very low32.1Very low121 Ų121139.7 Ų139.773%0.73375%0.754SS**  trans55.3118.6145.7-176.30000122.6
564K31.6Very low32.2Very low186 Ų186139.8 Ų139.881%0.80976%0.755SS**  -176.6134.2115.7-102.6-170.1178.5170.10117.9
565C32.7Very low31.7Very low104 Ų104140.9 Ų140.970%0.70375%0.753SS**  trans70.599.1140.4-60.80000125
566H30.4Very low31.5Very low163 Ų163137.9 Ų137.976%0.75575%0.746SS**  46.7129122.6-73.5-67.3000126.4
567H30.5Very low31.2Very low161 Ų161138 Ų13875%0.74575%0.747SS**  trans62.5143.6145.3-78.1-66.8000119.8D569H567-D569 IonicContact CE1-OD1 2.67Å; H567-D569 IonicContact ND1-OD1 2.72Å; H567-D569 PolarHBondContact ND1-OD1 3.4Å
568A33.2Very low31Very low88 Ų88139.7 Ų139.773%0.72775%0.747SS**  cis-159.91654.800000109
569D31.9Very low30.8Very low114 Ų114141.1 Ų141.161%0.6175%0.747SS**  cis-160.5172.8-13.1-106.335.7000106.3H567H567-D569 IonicContact CE1-OD1 2.67Å; H567-D569 IonicContact ND1-OD1 2.72Å; H567-D569 PolarHBondContact ND1-OD1 3.4Å
570V33.3Very low29.9Very low138 Ų138142.6 Ų142.684%0.83675%0.748SS**  -174.6149.791.1163.10000109
571N29.9Very low29.7Very low128 Ų128145 Ų14568%0.68475%0.752SS**  trans-72.3147-165.3-56.9-70.6000118.6
572Y29.4Very low29.3Very low231 Ų231145.3 Ų145.391%0.90675%0.754SS**  -163.8145.3114.6-125.9-93.6000111.1
573V26.5Very low29Very low118 Ų118142.7 Ų142.772%0.71575%0.753SS**  trans-136.3136.3-171.1171.40000111.9
574S28.3Very low28.8Very low119 Ų119144.6 Ų144.683%0.83276%0.757SS**  trans-160.9133.8137.3-157.30000112
575L30.3Very low28.4Very low142 Ų142140.4 Ų140.474%0.74374%0.744SS**  trans-128166.8-176.8-108.388.2000107.3
576D28.5Very low28.3Very low125 Ų125142.1 Ų142.167%0.66875%0.751SS**  cis-164177.2-20.3-148.1-23.2000109.2
577N27.9Very low27.9Very low134 Ų134137.8 Ų137.872%0.71774%0.739SS**  trans-40.2164.5176.5-83.2-72000124
578K27.8Very low27.9Very low186 Ų186135.6 Ų135.681%0.80974%0.74SS**  trans96.4104.9140.2-86.5164-176.7174.60123.7
579R25.6Very low27.7Very low222 Ų222138.6 Ų138.684%0.83874%0.743SS**  51.4120124.1-74.2-170.2-177.7-173.42.3123.9
580I24.7Very low27.3Very low127 Ų127137.3 Ų137.365%0.65174%0.743SS**  trans72.5112.6134-54.7165.9000119.1
581F27.1Very low27Very low196 Ų196138 Ų13886%0.8674%0.742SS**  -169.5160.6109.2-104.6-72000112.5
582S24.2Very low26.7Very low103 Ų103136.5 Ų136.572%0.7274%0.742SS**  trans-64.4164.2173.244.90000114.2
583A24.4Very low26.4Very low91 Ų91130.2 Ų130.275%0.75273%0.732SS**  cis-170.3-163.7-9.300000108.8
584I26.3Very low26.3Very low161 Ų161130 Ų13083%0.82674%0.736SS**  trans101.490.4167.8-53.7175000116.5
585D22.9Very low26.2Very low98 Ų98128.6 Ų128.652%0.52473%0.726SS.*  47.6103118.2-157.233.3000120.3K799D585-K799 IonicContact OD2-NZ 2.65Å; D585-K799 PolarHBondContact OD2-NZ 3.07Å
586V30.5Very low26Very low139 Ų139129 Ų12984%0.84273%0.728SS**  trans-135.4117.7144.3-178.30000109.9
587S23.7Very low25.9Very low72 Ų72130 Ų13050%0.50373%0.734SS.*  trans-65.2146.1170.4540000113.4
588C28.7Very low26.2Very low115 Ų115130 Ų13078%0.77773%0.729SS**  trans-164.7136.4148.2-111.20000115.7
589L29.5Very low26.4Very low152 Ų152125.9 Ų125.980%0.79672%0.724SS**  trans66.799.3141.4-62.6166.7000121.6
590S24.2Very low26.8Very low87 Ų87124 Ų12461%0.60872%0.719SS**  trans-19.7157.3131.456.40000120
591N27Very low27.3Very low152 Ų152123.5 Ų123.581%0.81372%0.721SS**  trans110.3148.7143.3-73.4-14.8000119.3
592S23.4Very low27.5Very low97 Ų97119 Ų11968%0.67871%0.71SS**  trans-66.4166.2-177.849.10000115.3
593S23.7Very low27.9Very low99 Ų99122.6 Ų122.669%0.69272%0.716SS**  trans73.4143142.657.70000119.2
594S23.9Very low28Very low114 Ų114122.3 Ų122.380%0.79771%0.708SS**  trans68.3154.1171.780.50000115.6
595S25.2Very low28Very low89 Ų89123.6 Ų123.662%0.62271%0.708SS**  cis-176.7155.6-36.251.20000107.3
596N27.3Very low28.3Very low150 Ų150128.6 Ų128.680%0.80273%0.725SS**  trans57.3112.4152.5-58.2-4.5000118.3
597D27Very low28Very low145 Ų145127.2 Ų127.278%0.77572%0.722SS**  trans-114.6136137.4-11716.7000104.6
598Q33.2Very low28.2Very low134 Ų134127.5 Ų127.563%0.62673%0.728SS**  cis-138168.20.5-79.214220.800106.7Y600Q598-Y600 HydrophobicContact CB-CE2 4.4Å; Q598-Y600 HydrophobicContact CG-CE2 4.29Å
599S32.5Very low28.1Very low101 Ų101129.4 Ų129.471%0.70673%0.731SS**  cis-161.4141.638.132.40000113.5
600Y34.4Very low28Very low183 Ų183131.9 Ų131.972%0.71874%0.735SS**  trans41.8136.4130.9-53.6-61.1000120.4Q598Q598-Y600 HydrophobicContact CB-CE2 4.4Å; Q598-Y600 HydrophobicContact CG-CE2 4.29Å
601T34.3Very low28.5Very low115 Ų115133.8 Ų133.871%0.70675%0.745SS**  cis-162.9138.523.4-7.70000113.4
602T31.9Very low28.6Very low101 Ų101129.5 Ų129.562%0.6274%0.738SS**  trans32.1117141.855.30000121.8
603Q31.4Very low28.9Very low180 Ų180132 Ų13284%0.84174%0.742SS**  75.9143.399.8-68.8178.23.200116.3
604S27.8Very low29.1Very low85 Ų85133.8 Ų133.859%0.59474%0.743SS**  cis-171.3147.9-16.857.80000110.9
605F24.9Very low29.4Very low188 Ų188133.5 Ų133.583%0.82573%0.733SS**  trans47.1113.1161.9-60.3-71.2000120.3
606F29.5Very low29.5Very low203 Ų203137.9 Ų137.989%0.8974%0.737SS**  178.5145.1106.1-102-72.6000112.5
607S25.5Very low29.6Very low109 Ų109138 Ų13876%0.76273%0.733SS**  trans55129144.8-143.10000123.7
608A26.2Very low29.7Very low78 Ų78135.8 Ų135.865%0.64573%0.729SS**  trans76.1136138.900000123.1
609N27.7Very low29.4Very low155 Ų155134.8 Ų134.883%0.82973%0.732SS**  trans75.1104.4151-61.6-12.3000121.1
610K27Very low29.2Very low204 Ų204136 Ų13689%0.88773%0.731SS**  trans-57.2154.8145.4-66.8177.7172.81780110.3
611P34.1Very low28.9Very low127 Ų127133.5 Ų133.583%0.82573%0.729SS**  -144.1176.197.738.6-24.5000114.3
612G29.6Very low28.6Very low63 Ų63135.3 Ų135.365%0.64973%0.733SS**  trans91.978166.100000115
613L29.5Very low28.6Very low149 Ų149137 Ų13778%0.7874%0.737SS**  86116.661.4-72.6170.3000114.6
614L29Very low28.4Very low136 Ų136134.8 Ų134.871%0.71273%0.731SS**  trans67.6145.4140.7-53.5173.3000117.2
615N28.8Very low28.6Very low109 Ų109137.4 Ų137.458%0.58374%0.738SS**  cis-161.2172.20.9-119.5-13.5000110.8
616Y28.3Very low28.9Very low180 Ų180132.2 Ų132.271%0.70673%0.725SS**  trans16.8157.7143.4-62.5-56.9000121.6
617Q29.7Very low28.9Very low153 Ų153131.2 Ų131.272%0.71572%0.72SS**  cis-161.4141.83.2-120.8144.9-10.800105.1
618S27.9Very low29.1Very low98 Ų98132.3 Ų132.369%0.68572%0.723SS**  73.5121.887.4-157.70000116.4
619V28.4Very low29Very low113 Ų113136.9 Ų136.969%0.68573%0.731SS**  trans78.6117.3137.6166.80000119.9
620D27Very low29.1Very low128 Ų128137.6 Ų137.668%0.68473%0.729SS**  42.6152.8124.1-51.4-14.9000121.3
621N27.8Very low29.1Very low130 Ų130136 Ų13670%0.69572%0.722SS**  cis-171.7-176.1-9.5-106.8-38.3000107.1
622I28.8Very low28.8Very low152 Ų152135.1 Ų135.178%0.77971%0.714SS**  trans66.2149.7162.2-2.7174.2000114.8
623L31.2Very low28.7Very low136 Ų136139.1 Ų139.171%0.71272%0.716SS**  cis-154.4126.720.9-139.9119.8000106.6
624D28.1Very low28.5Very low134 Ų134139.5 Ų139.572%0.71771%0.711SS**  86.4158.773.6-166.128.5000115.1
625L31Very low28.4Very low140 Ų140144.5 Ų144.573%0.73372%0.721SS**  trans97.2134.8177.1-56.9160.2000117.7
626S31.3Very low28.3Very low79 Ų79142.2 Ų142.255%0.55272%0.723SS**  cis-174150.4-16.7640000114.3
627K30.8Very low28.2Very low182 Ų182143.4 Ų143.479%0.79173%0.732SS**  trans69.1154143.6-68.9162.6-174.9174.70119
628T29.6Very low28.4Very low133 Ų133141.8 Ų141.882%0.81673%0.733SS**  cis-154.4164.14.6-60000112
629E24.3Very low28.2Very low174 Ų174144 Ų14481%0.81374%0.736SS**  trans-75.9160.2171-52.2176133.800113.4
630H29.5Very low28.4Very low170 Ų170146.1 Ų146.179%0.78774%0.742SS**  trans-176129.4139.8-104.4-74.7000113.9
631F27.5Very low28.3Very low170 Ų170147.1 Ų147.175%0.74675%0.747SS**  trans65.8115.2135.5-92.5-123.4000124.5
632V26.7Very low28.3Very low109 Ų109149.8 Ų149.866%0.66175%0.753SS**  76126.1110.1160.90000122.7
633H26.9Very low28.3Very low147 Ų147147.2 Ų147.268%0.68175%0.748SS**  trans79.5120.9145.6-95-130000124.9
634F25.7Very low28.3Very low156 Ų156147.4 Ų147.468%0.68475%0.749SS**  61.6140.2120.1-94.5-107.5000124.2
635R26.4Very low28.3Very low242 Ų242146.9 Ų146.991%0.91376%0.756SS**  trans64.8148.9153.6-88.8170.6174.9-164.8-0.2116.7
636G27.9Very low28.2Very low61 Ų61145.9 Ų145.963%0.62975%0.751SS**  cis-160.6159.8-3.800000109.5
637K26.9Very low28Very low204 Ų204149 Ų14989%0.88776%0.762SS**  42.4122.5102.9-67.9-172.6175.1-174.90113.1
638T31.9Very low28Very low120 Ų120146.3 Ų146.374%0.73676%0.76SS**  cis-156.9138.145.541.30000113.4
639N25.2Very low27.7Very low143 Ų143148.4 Ų148.477%0.76577%0.766SS**  36.4123.1109.8-61.2-10000118
640I31.9Very low27.8Very low158 Ų158144.1 Ų144.181%0.8176%0.755SS**  166.5105.9120.7-85.2157.4000107.4
641L25.7Very low27.8Very low150 Ų150144.3 Ų144.379%0.78576%0.756SS**  67.894.690-120.9174.5000114.9
642K28.1Very low27.9Very low186 Ų186146.2 Ų146.281%0.80976%0.764SS**  167.3140.4121.8-94.3175.6178.2179.30113
643S28.2Very low27.8Very low97 Ų97150.2 Ų150.268%0.67878%0.776SS**  trans36.8139.6143.867.30000120.7
644L30.4Very low27.9Very low141 Ų141147.6 Ų147.674%0.73878%0.78SS**  cis-147.114825.9-85.992.2000111.3
645S28.1Very low28Very low123 Ų123144.7 Ų144.786%0.8679%0.785SS**  trans-154.798.8139.6-173.70000107.4
646N29.4Very low28.1Very low118 Ų118138.2 Ų138.263%0.63178%0.776SS**  trans-93136.3177.6-81.2-14.8000109.4
647N27.7Very low28.3Very low145 Ų145142.6 Ų142.678%0.77578%0.784SS**  trans63.3147.5147.8-53.7-19.6000116.7
648V29.6Very low28.6Very low125 Ų125138.1 Ų138.176%0.75877%0.774SS**  cis-134.9132.226173.90000110.8
649L23.5Very low28.7Very low178 Ų178140.9 Ų140.993%0.93278%0.775SS**  trans-135.7112.2151.5-176.470.2000108.9
650S27.6Very low29.1Very low84 Ų84138.1 Ų138.159%0.58777%0.768SS**  trans-164.3147.416964.10000105.5
651Q29.2Very low29.1Very low174 Ų174138.3 Ų138.381%0.81377%0.77SS**  cis-132.8140.710.6-62.6158.6-23.800106.8
652F28.1Very low29.3Very low210 Ų210134.5 Ų134.592%0.92177%0.767SS**  50.7103.476.1-91.1-74.1000114.7
653E26.1Very low29.6Very low192 Ų192131.1 Ų131.190%0.89777%0.767SS**  trans-104.2162.9169.2-165.8171.4-152.900109.5
654A28.1Very low29.7Very low93 Ų93132.1 Ų132.177%0.76977%0.774SS**  trans7590.7178.200000118.2
655A29.2Very low30.3Very low95 Ų95131.2 Ų131.279%0.78578%0.777SS**  trans-87118.1136.100000107
656S27.4Very low30.5Very low105 Ų105130.6 Ų130.673%0.73477%0.772SS**  66.3110.385.8-63.40000114.1
657I32.4Very low30.5Very low154 Ų154131.3 Ų131.379%0.7978%0.781SS**  -170.8109.7125.7-96.2154.2000109.7
658T33Very low30.6Very low110 Ų110134.6 Ų134.668%0.67579%0.788SS**  trans53.8143.1148.864.90000120.9
659K33.3Very low30.5Very low177 Ų177137 Ų13777%0.7779%0.788SS**  cis-163.8132.66.6-117.1163.2-170.3174.80106.7
660S33.7Very low30.8Very low86 Ų86138.8 Ų138.860%0.60179%0.789SS**  58.2130.3103.683.60000114.8
661N32.7Very low30.8Very low161 Ų161142.7 Ų142.786%0.86180%0.8SS**  cis-159.6171.25.7-76.4-35.8000106.6
662G30.8Very low30.9Very low70 Ų70139.4 Ų139.472%0.72280%0.796SS**  cis138.2113.3-1.100000112.4
663S33.6Very low30.8Very low116 Ų116135.7 Ų135.781%0.81179%0.791SS**  trans-176.9100.315855.90000108.5
664S29.4Very low31Very low118 Ų118132.7 Ų132.783%0.82579%0.791SS**  cis83.5142.948.1-64.70000115.2
665P44.6Very low31Very low122 Ų122138.3 Ų138.379%0.79280%0.798SS**  trans-136.2-172.7-138.641.4-22.6000115.4
666S31.5Very low31.1Very low110 Ų110139.7 Ų139.777%0.76980%0.802SS**  trans-153.3114.8153.148.70000110.8
667V29.4Very low31Very low133 Ų133139.9 Ų139.981%0.80680%0.803SS**  69.3105.389.3177.50000114.8
668K29.8Very low30.9Very low214 Ų214140.6 Ų140.693%0.9381%0.808SS**  -145.5147.8128.2-114.9173.4-173175.90110.6
669K28Very low30.5Very low174 Ų174140.4 Ų140.476%0.75781%0.811SS**  trans-125.7124.8-159.9174.7-173.8-176.4-1790108.4
670F29.2Very low30.8Very low217 Ų217137.4 Ų137.495%0.95281%0.81SS**  trans-140.6133.7160.6-101.3-77.8000110.5
671M26.7Very low30.6Very low166 Ų166141.5 Ų141.582%0.81882%0.823SS**  trans-103.7133.8174.4-81.8-177.6150.500109.7
672S31.2Very low30.2Very low105 Ų105143.7 Ų143.773%0.73482%0.819SS**  trans-167.694.4147.554.40000107.8
673T27.7Very low30.2Very low132 Ų132150.5 Ų150.581%0.8183%0.829SS**  50.59497.962.10000114.4
674S29.4Very low29.9Very low129 Ų129151.6 Ų151.690%0.90282%0.821SS**  trans-158.8125.9133.7-98.20000109.8
675K28.5Very low30Very low211 Ų211156.2 Ų156.292%0.91783%0.826SS**  trans-107.1129174.7-68.9173.7175.2177.30108.4
676S30.8Very low29.3Very low123 Ų123157.8 Ų157.886%0.8683%0.828SS**  trans-169.4107.2141.1520000110.3
677S25.7Very low29.2Very low109 Ų109160.5 Ų160.576%0.76283%0.829SS**  trans-104.4170.7156.752.20000109.1
678L29.3Very low29.2Very low170 Ų170159.8 Ų159.889%0.8983%0.827SS**  trans102.999165-58160.8000117.9
679S24.3Very low29Very low106 Ų106153.7 Ų153.774%0.74181%0.811SS**  trans-95.6177.1142.553.30000109.6
680P39.6Very low29.1Very low114 Ų114153.7 Ų153.774%0.7482%0.817SS**  cis-134.8158.3-42.735.1-19.5000113.2
681I30.1Very low29Very low171 Ų171148.6 Ų148.688%0.87781%0.809SS**  trans-137114163.6-61.1-175.8000113.8
682R25.3Very low29.3Very low208 Ų208146 Ų14679%0.78581%0.805SS**  trans-16.3134.5151.3-167.8-176.6-158.5162.85.1118.8
683K30.8Very low29.2Very low213 Ų213148.6 Ų148.693%0.92682%0.815SS**  trans-157149.5140.7-112.2169.4-173.3-178.90112.2
684H25.5Very low29.5Very low139 Ų139145.8 Ų145.864%0.64480%0.796SS**  trans-81.4153.7-174.2-75.8-119.9000113.1
685F32.7Very low30Very low215 Ų215144.1 Ų144.194%0.94378%0.784SS**  trans-149.7160.1135.5-102.6-73.6000110.3
686N30.8Very low30.6Very low155 Ų155142.8 Ų142.883%0.82977%0.773SS**  trans-89.9166-163.1-75.6-17.6000115.3
687E27.5Very low30.8Very low167 Ų167146.3 Ų146.378%0.7877%0.773SS**  trans-64.7170.3-178.2-133.4179.1-16100114.9
688P29.8Very low31.4Very low118 Ų118150.4 Ų150.477%0.76677%0.771SS**  -140.9124.993.835.6-20.4000116.9
689S26.6Very low31.7Very low86 Ų86148.9 Ų148.960%0.60176%0.755SS**  trans16.1116.1141.762.30000121.4
690I30.6Very low32.1Very low173 Ų173150.2 Ų150.289%0.88775%0.754SS**  trans-131.1125.5132.6-63.3-178000107.4
691S26.4Very low31.9Very low110 Ų110155.2 Ų155.277%0.76976%0.758SS**  trans-102.7146.9-175.656.30000112.7
692P32.1Very low32.3Very low113 Ų113149.4 Ų149.473%0.73473%0.73SS**  trans-115.8152.3140.833.7-27.1000110.8D694P692-D694 PolarHBondContact O-N 3.35Å; P692-D694 VanDerWaalsContact O-N 3.09Å
693V29Very low32.9Very low158 Ų158143.1 Ų143.196%0.95872%0.718SS**  trans-58.4110.1-172.3177.10000111.8
694D35.7Very low33.3Very low74 Ų74143.5 Ų143.540%0.39671%0.714SS.*  trans-93.5129-170-159.7-43.6000113P692 R696P692-D694 PolarHBondContact O-N 3.35Å; P692-D694 VanDerWaalsContact O-N 3.09Å; D694-R696 VanDerWaalsContact CG-NE 3.29Å; D694-R696 PolarHBondContact O-N 2.75Å; D694-R696 VanDerWaalsContact O-N 3.17Å; D694-R696 VanDerWaalsContact OD1-CB 3.24Å; D694-R696 WeakPolarHBondContact OD1-CB 3.46Å; D694-R696 VanDerWaalsContact OD1-CG 3.22Å; D694-R696 WeakPolarHBondContact OD1-CG 3.44Å; D694-R696 PolarHBondContact OD1-N 3.34Å; D694-R696 IonicContact OD1-NE 2.67Å; D694-R696 PolarHBondContact OD1-NE 2.92Å; D694-R696 VanDerWaalsContact OD1-NE 3.16Å; D694-R696 IonicContact OD2-CZ 2.64Å; D694-R696 IonicContact OD2-NE 2.83Å; D694-R696 PolarHBondContact OD2-NE 2.81Å; D694-R696 IonicContact OD2-NH2 2.66Å; D694-R696 PolarHBondContact OD2-NH2 2.83Å
695S39.5Very low34.2Very low93 Ų93139.5 Ų139.565%0.6570%0.702SS**G310 helixtrans-66.1-8.5176.239.90000113.9K697 R698S695-K697 PolarHBondContact O-N 3.49Å; S695-R698 PolarHBondContact O-N 2.86Å
696R40.4Very low34.5Very low184 Ų184130.4 Ų130.469%0.69466%0.663SS**G310 helixtrans-55.6-18.1178.4-85.1179.6-99.5-159.9-0.5116.4D694 R698D694-R696 VanDerWaalsContact CG-NE 3.29Å; D694-R696 PolarHBondContact O-N 2.75Å; D694-R696 VanDerWaalsContact O-N 3.17Å; D694-R696 VanDerWaalsContact OD1-CB 3.24Å; D694-R696 WeakPolarHBondContact OD1-CB 3.46Å; D694-R696 VanDerWaalsContact OD1-CG 3.22Å; D694-R696 WeakPolarHBondContact OD1-CG 3.44Å; D694-R696 PolarHBondContact OD1-N 3.34Å; D694-R696 IonicContact OD1-NE 2.67Å; D694-R696 PolarHBondContact OD1-NE 2.92Å; D694-R696 VanDerWaalsContact OD1-NE 3.16Å; D694-R696 IonicContact OD2-CZ 2.64Å; D694-R696 IonicContact OD2-NE 2.83Å; D694-R696 PolarHBondContact OD2-NE 2.81Å; D694-R696 IonicContact OD2-NH2 2.66Å; D694-R696 PolarHBondContact OD2-NH2 2.83Å; R696-R698 VanDerWaalsContact C-N 3.31Å; R696-R698 PolarHBondContact O-N 2.83Å
697K35.1Very low34.8Very low196 Ų196127.5 Ų127.585%0.85265%0.645SS**G310 helixtrans-72.7-10.2177.3-80-171.4178.4178.90115.7S695S695-K697 PolarHBondContact O-N 3.49Å
698R37.2Very low35.4Very low195 Ų195122.9 Ų122.974%0.73663%0.63SS**THydrogen-bonded Turntrans-82.1-39.2174.6-67.8-165.2-172.5-172.27.4113.8S695 R696 N700 R701S695-R698 PolarHBondContact O-N 2.86Å; R696-R698 VanDerWaalsContact C-N 3.31Å; R696-R698 PolarHBondContact O-N 2.83Å; R698-N700 VanDerWaalsContact C-N 3.32Å; R698-N700 PolarHBondContact O-N 3.01Å; R698-R701 PolarHBondContact O-N 3.34Å; R698-R701 VanDerWaalsContact O-N 3.09Å
699Y36.6Very low35.9Very low139 Ų139118.2 Ų118.255%0.54560%0.599SS.*Hα-helixtrans-56.4-39.4-173.4-69.8-84.6000114R701 V702 S703Y699-R701 PolarHBondContact O-N 3.47Å; Y699-R701 VanDerWaalsContact O-N 3.1Å; Y699-V702 PolarHBondContact O-N 2.9Å; Y699-S703 PolarHBondContact O-OG 2.85Å
700N33.5Very low36.5Very low133 Ų133120.4 Ų120.471%0.71159%0.594SS**Hα-helixtrans-68.8-7-179-83.5-17.9000115.3R698R698-N700 VanDerWaalsContact C-N 3.32Å; R698-N700 PolarHBondContact O-N 3.01Å
701R35.4Very low36.9Very low219 Ų219122 Ų12283%0.82659%0.589SS**Hα-helixtrans-90.2-32177.2-129.6175.7-172.7165.42112.9R698 Y699R698-R701 PolarHBondContact O-N 3.34Å; R698-R701 VanDerWaalsContact O-N 3.09Å; Y699-R701 PolarHBondContact O-N 3.47Å; Y699-R701 VanDerWaalsContact O-N 3.1Å
702V37Very low37.8Very low49 Ų49121 Ų12130%0.29757%0.574SS.*Hα-helixtrans-78-37.9-178.2-176.30000111.5Y699 R704 S705Y699-V702 PolarHBondContact O-N 2.9Å; V702-R704 PolarHBondContact O-N 2.75Å; V702-S705 WeakPolarHBondContact O-CA 3.24Å; V702-S705 VanDerWaalsContact O-CB 3.28Å; V702-S705 WeakPolarHBondContact O-CB 3.48Å; V702-S705 PolarHBondContact O-N 2.94Å
703S39.4Very low38.2Very low77 Ų77117.8 Ų117.854%0.53855%0.548SS..THydrogen-bonded Turntrans-59.9-23.9-179.5-44.90000114.3Y699Y699-S703 PolarHBondContact O-OG 2.85Å
704R37.9Very low38.6Very low220 Ų220115 Ų11583%0.8353%0.533SS*.THydrogen-bonded Turntrans-83.4-10.4174-68.1-171.2176.4-159.6-1.4113.9V702V702-R704 PolarHBondContact O-N 2.75Å
705S44.4Very low38.5Very low56 Ų56120 Ų12039%0.39255%0.552SS.*THydrogen-bonded Turntrans-90.8-16.1-178.7-164.50000114V702 P708V702-S705 WeakPolarHBondContact O-CA 3.24Å; V702-S705 VanDerWaalsContact O-CB 3.28Å; V702-S705 WeakPolarHBondContact O-CB 3.48Å; V702-S705 PolarHBondContact O-N 2.94Å; S705-P708 WeakPolarHBondContact O-CD 3.22Å
706V40.1Very low38.2Very low23 Ų23121.3 Ų121.314%0.13956%0.555CS.*SBendtrans-91-25.7-176.6-172.10000112.1P708 V709 R710V706-P708 VanDerWaalsContact C-CD 3.4Å; V706-V709 WeakPolarHBondContact O-CB 3.25Å; V706-V709 PolarHBondContact O-N 2.9Å; V706-R710 PolarHBondContact O-N 2.86Å
707E37Very low37.6Very low95 Ų95117.7 Ų117.744%0.44455%0.554SS.*THydrogen-bonded Turntrans-56.5-34-179-137.160.6-159.500115.4R710E707-R710 IonicContact OE2-NH1 3.28Å
708P38.7Very low37.2Very low70 Ų70113.6 Ų113.646%0.45555%0.546SS..THydrogen-bonded Turntrans-64.7-39.1171.7-22.134.4000113.3S705 V706 R710 R711 I712S705-P708 WeakPolarHBondContact O-CD 3.22Å; V706-P708 VanDerWaalsContact C-CD 3.4Å; P708-R710 VanDerWaalsContact C-N 3.33Å; P708-R710 PolarHBondContact O-N 2.75Å; P708-R711 WeakPolarHBondContact O-CB 3.21Å; P708-R711 PolarHBondContact O-N 3.35Å; P708-I712 PolarHBondContact O-N 2.87Å
709V40.2Very low36.7Very low20 Ų20109.8 Ų109.812%0.12154%0.544CS..Hα-helixtrans-65.9-37.5-175.6-176.40000111V706 R711 I712 F713 V804 V806V706-V709 WeakPolarHBondContact O-CB 3.25Å; V706-V709 PolarHBondContact O-N 2.9Å; V709-R711 PolarHBondContact O-N 3.02Å; V709-I712 PolarHBondContact O-N 3.12Å; V709-I712 VanDerWaalsContact O-N 3.14Å; V709-F713 HydrophobicContact CG1-CD2 4.22Å; V709-F713 HydrophobicContact CG1-CE2 4.39Å; V709-F713 PolarHBondContact O-N 3.47Å; V709-V804 HydrophobicContact CG2-CB 4.31Å; V709-V804 HydrophobicContact CG2-CG1 4.26Å; V709-V806 HydrophobicContact CG1-CG2 3.66Å
710R39.3Very low36.3Very low131 Ų131111.2 Ų111.249%0.49455%0.549SS..Hα-helixtrans-64.6-16.9174.2-68.9-175.8-179.7148.12.2114.2D513 V706 E707 P708D513-R710 IonicContact OD2-CZ 3.56Å; D513-R710 IonicContact OD2-NE 3.23Å; D513-R710 IonicContact OD2-NH2 3.8Å; D513-R710 PolarHBondContact OD2-NH2 3.12Å; V706-R710 PolarHBondContact O-N 2.86Å; E707-R710 IonicContact OE2-NH1 3.28Å; P708-R710 VanDerWaalsContact C-N 3.33Å; P708-R710 PolarHBondContact O-N 2.75Å
711R40.5Very low35.9Very low208 Ų208114.4 Ų114.479%0.78556%0.557SS**Hα-helixtrans-88-27.1173.2-59.9-176.4-165.7167.93.8113.1P708 V709P708-R711 WeakPolarHBondContact O-CB 3.21Å; P708-R711 PolarHBondContact O-N 3.35Å; V709-R711 PolarHBondContact O-N 3.02Å
712I44.1Very low35.5Very low88 Ų88109.9 Ų109.945%0.45155%0.546SS..Hα-helixtrans-74.9-33.8-178.9-61.8165.7000110.7P366 P708 V709P366-I712 HydrophobicContact CB-CG2 4.2Å; P708-I712 PolarHBondContact O-N 2.87Å; V709-I712 PolarHBondContact O-N 3.12Å; V709-I712 VanDerWaalsContact O-N 3.14Å
713F41.6Very low35Very low45 Ų45113.8 Ų113.820%0.19757%0.566CS.*SBendtrans-116.695.4-179.9-56.8-70.2000110.3L364 V709 V806L364-F713 HydrophobicContact CB-CZ 4.13Å; V709-F713 HydrophobicContact CG1-CD2 4.22Å; V709-F713 HydrophobicContact CG1-CE2 4.39Å; V709-F713 PolarHBondContact O-N 3.47Å; F713-V806 HydrophobicContact CE2-CG2 4.27Å
714P35.9Very low34.7Very low99 Ų99117 Ų11764%0.64358%0.582SS**  trans-61.3143.5-178.624.5-33.3000111.3V716P714-V716 PolarHBondContact O-N 3.37Å; P714-V716 VanDerWaalsContact O-N 3.1Å
715K35.1Very low34.5Very low180 Ų180111.7 Ų111.778%0.78358%0.579SS**  trans-62.3111.3170.9-112.5179.3176.71770108.7T717K715-T717 HydrophobicContact CB-CG2 4.32Å; K715-T717 PolarHBondContact O-N 3.43Å
716V33.3Very low33.8Very low120 Ų120113.6 Ų113.673%0.72759%0.592SS**  trans-68.6101.8163.8179.40000106.7P714 T718P714-V716 PolarHBondContact O-N 3.37Å; P714-V716 VanDerWaalsContact O-N 3.1Å; V716-T718 VanDerWaalsContact C-N 3.34Å; V716-T718 PolarHBondContact O-N 3.31Å
717T26.7Very low33.3Very low108 Ų108120 Ų12066%0.66363%0.625SS**  trans-82.773.9-174.243.90000112.4K715 V719K715-T717 HydrophobicContact CB-CG2 4.32Å; K715-T717 PolarHBondContact O-N 3.43Å; T717-V719 HydrophobicContact CG2-CG2 4.22Å
718T27.8Very low33Very low111 Ų111121.8 Ų121.868%0.68163%0.632SS**  trans-99.881150.238.40000108.1V716 Y720V716-T718 VanDerWaalsContact C-N 3.34Å; V716-T718 PolarHBondContact O-N 3.31Å; T718-Y720 PolarHBondContact O-N 2.91Å
719V26.4Very low32.6Very low115 Ų115123.9 Ų123.970%0.69764%0.639SS**  trans-84.694.9-173.6-177.90000110.5T717T717-V719 HydrophobicContact CG2-CG2 4.22Å
720Y28.1Very low32.4Very low169 Ų169128 Ų12866%0.66366%0.66SS**  trans-90113.2160.3-77.1-83.3000109.8Q518 T718 M722Q518-Y720 PolarHBondContact NE2-O 3.19Å; T718-Y720 PolarHBondContact O-N 2.91Å; Y720-M722 PolarHBondContact O-N 3.34Å
721K24.6Very low32.2Very low199 Ų199126.8 Ų126.887%0.86567%0.667SS**  trans-70.8110.9166.1-89.6-173.5172.2-175.20108.8
722M26.9Very low31.9Very low124 Ų124122.6 Ų122.661%0.61166%0.655SS**  trans-110.2125.9155.2-80.1-146.3152.500109.1Y720 T724Y720-M722 PolarHBondContact O-N 3.34Å; M722-T724 PolarHBondContact O-N 2.84Å
723D26.7Very low31.5Very low131 Ų131123 Ų12370%0.70166%0.657SS**  trans-73.3110.6172.6-81.9-33.5000109.4S725D723-S725 PolarHBondContact O-N 3.3Å
724T32.4Very low31.2Very low144 Ų144132.5 Ų132.588%0.88369%0.692SS**THydrogen-bonded Turntrans-74.212.6-178.950.80000113.9M722M722-T724 PolarHBondContact O-N 2.84Å
725S34.5Very low31Very low110 Ų110134.9 Ų134.977%0.76969%0.694SS**THydrogen-bonded Turntrans-84.3-12.7175.855.50000113.6D723D723-S725 PolarHBondContact O-N 3.3Å
726S29.7Very low30.7Very low95 Ų95130.9 Ų130.966%0.66468%0.681SS**SBendtrans-95.5125.7176.6630000112F728S726-F728 PolarHBondContact O-N 3.4Å
727L28.8Very low30.3Very low159 Ų159133.4 Ų133.483%0.83268%0.684SS**  trans-74108.8-178.4-173.278.4000110.2
728F32Very low30.2Very low132 Ų132137.3 Ų137.358%0.57969%0.688SS**  trans42.491166.4-67.8-80.7000117.5S726 L730S726-F728 PolarHBondContact O-N 3.4Å; F728-L730 HydrophobicContact CD1-CD1 4.17Å; F728-L730 HydrophobicContact CD1-CG 4.49Å
729D30.1Very low29.9Very low113 Ų113140 Ų14060%0.60470%0.698SS**  trans-126.2101.9146.8-170.2-8.3000109.4T731D729-T731 VanDerWaalsContact C-N 3.32Å; D729-T731 WeakPolarHBondContact OD1-CB 3.22Å; D729-T731 WeakPolarHBondContact OD1-CG2 2.94Å; D729-T731 PolarHBondContact OD1-N 2.88Å; D729-T731 VanDerWaalsContact OD1-N 3.12Å; D729-T731 PolarHBondContact OD1-OG1 2.91Å
730L35.4Very low29.9Very low107 Ų107139.2 Ų139.256%0.5669%0.694SS**  trans-86.1-1.2-176.2-74.8163000113F728 K732 L733F728-L730 HydrophobicContact CD1-CD1 4.17Å; F728-L730 HydrophobicContact CD1-CG 4.49Å; L730-K732 VanDerWaalsContact C-N 3.25Å; L730-K732 PolarHBondContact O-N 3.24Å; L730-L733 HydrophobicContact CD2-CD1 4.2Å
731T34.5Very low29.8Very low106 Ų106140.2 Ų140.265%0.6570%0.704SS**G310 helixtrans-67.9-20.9-173.958.90000114.4D729D729-T731 VanDerWaalsContact C-N 3.32Å; D729-T731 WeakPolarHBondContact OD1-CB 3.22Å; D729-T731 WeakPolarHBondContact OD1-CG2 2.94Å; D729-T731 PolarHBondContact OD1-N 2.88Å; D729-T731 VanDerWaalsContact OD1-N 3.12Å; D729-T731 PolarHBondContact OD1-OG1 2.91Å
732K35.7Very low29.7Very low120 Ų120139.5 Ų139.552%0.52270%0.703SS.*G310 helixtrans-84.4-4.5-174.4-72.9-172.3172.6-175.70116.3L730 R734 E735L730-K732 VanDerWaalsContact C-N 3.25Å; L730-K732 PolarHBondContact O-N 3.24Å; K732-R734 PolarHBondContact O-N 3.08Å; K732-E735 PolarHBondContact O-N 1.93Å
733L34.8Very low29.6Very low96 Ų96138.7 Ų138.750%0.50371%0.71SS.*G310 helixtrans-66.8-16.2179.3-88.9161.3000114.1L730 E735 L736 I837L730-L733 HydrophobicContact CD2-CD1 4.2Å; L733-E735 PolarHBondContact O-N 2.89Å; L733-L736 HydrophobicContact CD2-CD1 4.32Å; L733-I837 HydrophobicContact CD1-CD1 4.01Å
734R35.8Very low29.6Very low245 Ų245137.7 Ų137.793%0.92571%0.714SS**G310 helixtrans-66.5-8.4172.2-81.2-171.2176.1-174.40.3114.9K732 L736K732-R734 PolarHBondContact O-N 3.08Å; R734-L736 VanDerWaalsContact C-N 3.35Å
735E32.5Very low29.2Very low149 Ų149141.3 Ų141.370%0.69672%0.717SS**G310 helixtrans-88.88.8-178.2-63.6-175.6163.500114.2K732 L733 Q737K732-E735 PolarHBondContact O-N 1.93Å; L733-E735 PolarHBondContact O-N 2.89Å; E735-Q737 PolarHBondContact O-N 3.17Å
736L27Very low28.8Very low95 Ų95140.7 Ų140.750%0.49772%0.718SS.*  trans-66.791.7172.5-75.7170.9000111L521 L733 R734 Y738L521-L736 HydrophobicContact CD1-CD1 4.12Å; L733-L736 HydrophobicContact CD2-CD1 4.32Å; R734-L736 VanDerWaalsContact C-N 3.35Å; L736-Y738 PolarHBondContact O-N 3.02Å
737Q25Very low28.6Very low173 Ų173140.8 Ų140.881%0.80872%0.719SS**  trans-65.7118.6179-111.6179.1-7.700111.6E735 L739E735-Q737 PolarHBondContact O-N 3.17Å; Q737-L739 PolarHBondContact O-N 3.04Å
738Y25Very low28.3Very low190 Ų190138.5 Ų138.575%0.74572%0.717SS**  trans-62115.1172.5-73.3-89.5000111.4L736L736-Y738 PolarHBondContact O-N 3.02Å
739L22.2Very low28Very low169 Ų169140.3 Ų140.389%0.88573%0.725SS**  trans-102.682.2159-111.3119000109.1Q737 Q741Q737-L739 PolarHBondContact O-N 3.04Å; L739-Q741 PolarHBondContact O-N 3.19Å
740T25.5Very low27.7Very low98 Ų98141.5 Ų141.560%0.60173%0.729SS**  trans-71.4114.7167410000109.8H742T740-H742 PolarHBondContact O-N 3.26Å
741Q25.9Very low27.2Very low189 Ų189141.9 Ų141.988%0.88374%0.741SS**  trans-75.2117.9172.5-148.1168.31.300109L739 S743L739-Q741 PolarHBondContact O-N 3.19Å; Q741-S743 PolarHBondContact O-N 2.73Å
742H23.5Very low26.7Very low184 Ų184142.3 Ų142.385%0.85274%0.743SS**  trans-74.385.5-176.2-85.2-84.9000112.9T740T740-H742 PolarHBondContact O-N 3.26Å
743S24.9Very low26.3Very low108 Ų108144.3 Ų144.376%0.75576%0.76SS**  trans-163.5132.2148.159.20000107.7Q741Q741-S743 PolarHBondContact O-N 2.73Å
744S26.7Very low26Very low110 Ų110147 Ų14777%0.76978%0.775SS**  cis-158.3162.941.746.70000111.3A746S744-A746 PolarHBondContact O-N 3.18Å
745K23.5Very low25.7Very low219 Ų219140.3 Ų140.395%0.95277%0.765SS**  trans-72.6118.3165.7-68.9173.6177.8175.60108.3
746A26.9Very low25.7Very low97 Ų97141.4 Ų141.480%0.80278%0.776SS**  trans-121.5126.3163.600000108.2S744S744-A746 PolarHBondContact O-N 3.18Å
747S24.8Very low25.8Very low97 Ų97145.4 Ų145.468%0.67879%0.789SS**  trans-80.6139.5-16651.10000113.7F749S747-F749 PolarHBondContact O-N 2.97Å
748S23.6Very low25.9Very low112 Ų112143.6 Ų143.678%0.78379%0.785SS**  trans-66.6111.2159.452.30000111.2
749F25.3Very low26.1Very low170 Ų170142 Ų14275%0.74679%0.79SS**  trans-143.3110.5163.9-85.4-68.7000113.5S747S747-F749 PolarHBondContact O-N 2.97Å
750I24Very low26.3Very low137 Ų137143 Ų14370%0.70379%0.787SS**  trans46.7118.6132.3-57.8178.3000118.3V752I750-V752 HydrophobicContact CG2-CG2 4.1Å; I750-V752 PolarHBondContact O-N 3.14Å
751S23.7Very low26.4Very low115 Ų115144 Ų14480%0.80479%0.787SS**  trans-60.4123158.352.80000111.8
752V25.5Very low26.3Very low116 Ų116143.7 Ų143.770%0.70378%0.783SS**  trans-121.6119160.8-179.40000107.5I750 D754I750-V752 HydrophobicContact CG2-CG2 4.1Å; I750-V752 PolarHBondContact O-N 3.14Å; V752-D754 PolarHBondContact O-N 2.64Å
753N26Very low26.4Very low161 Ų161139.9 Ų139.986%0.86178%0.776SS**  trans-67.3126.5165.6-77.5-21.2000108
754D29Very low26.8Very low153 Ų153142.5 Ų142.582%0.81878%0.776SS**  trans-134.6121153.6-109.4-39000110.3V752V752-D754 PolarHBondContact O-N 2.64Å
755S28.7Very low27.2Very low104 Ų104145.8 Ų145.873%0.72778%0.779SS**  trans-82.2123.6178.353.10000109.9
756N32.1Very low28Very low172 Ų172138.4 Ų138.492%0.9275%0.754SS**  trans-151.7154.2150-106.2-42.7000113.5
757K29.1Very low28.8Very low179 Ų179136 Ų13678%0.77873%0.731SS**  trans-82.4160.9-161.3-75.1-179.9172.6179.20114.8
758D28.7Very low29.7Very low136 Ų136135.3 Ų135.373%0.72772%0.722SS**  trans57.286.8148.6-56-28.9000118.2
759N28.8Very low31Very low156 Ų156130.9 Ų130.983%0.83469%0.689SS**  -160.4112.7127.3-100.7-50.8000111.5I761N759-I761 VanDerWaalsContact C-N 3.3Å; N759-I761 PolarHBondContact O-N 2.99Å
760K26.5Very low32Very low191 Ų191127.3 Ų127.383%0.8369%0.685SS**  trans-83.267.5-173.4-148.8177.9-167.9179.20111.7
761I26.7Very low33.6Very low119 Ų119123.3 Ų123.361%0.6167%0.669SS**  trans-81.5120.2168.2-60.2178.1000107.8N759 C763N759-I761 VanDerWaalsContact C-N 3.3Å; N759-I761 PolarHBondContact O-N 2.99Å; I761-C763 PolarHBondContact O-N 3.32Å
762F24.8Very low35.6Very low181 Ų181121.3 Ų121.379%0.79465%0.647SS**  trans-69.579.9172.8-80.9-91.5000110.4H764F762-H764 PolarHBondContact O-N 2.86Å
763C25.4Very low38.1Very low104 Ų104116 Ų11670%0.70362%0.615SS**  trans-79.9106.5164.3-730000108.5I761 Q765I761-C763 PolarHBondContact O-N 3.32Å; C763-Q765 PolarHBondContact O-N 2.84Å
764H33.2Very low40.9Very low164 Ų164109 Ų10976%0.75958%0.577SS**  trans-53.6113.2159.8-66.8-80.6000107.8F762 P766F762-H764 PolarHBondContact O-N 2.86Å; H764-P766 VanDerWaalsContact O-CD 3.23Å; H764-P766 WeakPolarHBondContact O-CD 2.91Å; H764-P766 VanDerWaalsContact O-N 3.15Å
765Q34.2Very low43.8Very low178 Ų178101.8 Ų101.883%0.83254%0.539SS*.  trans-69112.1-179-164.1166.2-100107.5C763 C767C763-Q765 PolarHBondContact O-N 2.84Å; Q765-C767 PolarHBondContact O-N 3.11Å
766P40.1Very low46.8Very low64 Ų6496.8 Ų96.842%0.41650%0.504SS..  trans-67.4127.6-173.427.1-33000108.7H764 V768H764-P766 VanDerWaalsContact O-CD 3.23Å; H764-P766 WeakPolarHBondContact O-CD 2.91Å; H764-P766 VanDerWaalsContact O-N 3.15Å; P766-V768 PolarHBondContact O-N 3.27Å; P766-V768 VanDerWaalsContact O-N 3.14Å
767C43.8Very low49.7Very low48 Ų4890.5 Ų90.532%0.32447%0.467SS..  trans-63.1117.7175.9-71.80000109.4W360 Q765W360-C767 HydrophobicContact CH2-CB 3.53Å; W360-C767 HydrophobicContact CZ2-CB 4.46Å; W360-C767 HydrophobicContact CZ3-CB 3.91Å; Q765-C767 PolarHBondContact O-N 3.11Å
768V44.2Very low52.7Low82 Ų8282 Ų8250%0.49743%0.43SS..  trans-89.7114-177.4171.30000109.4L526 P766L526-V768 HydrophobicContact CD2-CB 4.29Å; L526-V768 HydrophobicContact CD2-CG1 3.59Å; L526-V768 HydrophobicContact CD2-CG2 3.69Å; L526-V768 HydrophobicContact CG-CG1 4.43Å; P766-V768 PolarHBondContact O-N 3.27Å; P766-V768 VanDerWaalsContact O-N 3.14Å
769F50.7Low55.8Low18 Ų1875.6 Ų75.68%0.07940%0.397CS..  trans-79124.5166.9-61.2-81.5000109.9W360 T524 S771 L773 F829W360-F769 HydrophobicContact CB-CZ 4.27Å; W360-F769 AromaticContact CD1-CZ 3.81Å; W360-F769 HydrophobicContact CD2-CE1 4.22Å; W360-F769 HydrophobicContact CD2-CE2 4.37Å; W360-F769 AromaticContact CD2-CZ 3.46Å; W360-F769 HydrophobicContact CD2-CZ 3.46Å; W360-F769 VanDerWaalsContact CD2-CZ 3.46Å; W360-F769 AromaticContact CE2-CE1 3.94Å; W360-F769 AromaticContact CE2-CZ 3.62Å; W360-F769 HydrophobicContact CE3-CE2 4.41Å; W360-F769 AromaticContact CE3-CZ 3.9Å; W360-F769 HydrophobicContact CE3-CZ 3.9Å; W360-F769 HydrophobicContact CG-CE1 4.27Å; W360-F769 AromaticContact CG-CZ 3.61Å; W360-F769 HydrophobicContact CG-CZ 3.61Å; W360-F769 HydrophobicContact CZ2-CE1 4.47Å; W360-F769 HydrophobicContact CZ2-CZ 4.24Å; W360-F769 HydrophobicContact CZ3-CZ 4.45Å; W360-F769 AromaticContact NE1-CE1 3.79Å; W360-F769 AromaticContact NE1-CZ 3.81Å; T524-F769 HydrophobicContact CG2-CD2 4.03Å; F769-S771 VanDerWaalsContact C-N 3.28Å; F769-S771 PolarHBondContact O-N 3.02Å; F769-L773 HydrophobicContact CB-CD1 4.25Å; F769-L773 HydrophobicContact CB-CD2 4.1Å; F769-L773 HydrophobicContact CB-CG 4.3Å; F769-L773 HydrophobicContact CD1-CD1 4.34Å; F769-L773 HydrophobicContact CD1-CD2 3.58Å; F769-L773 HydrophobicContact CD1-CG 4.47Å; F769-L773 HydrophobicContact CD2-CD1 3.79Å; F769-L773 HydrophobicContact CE1-CD2 3.99Å; F769-L773 HydrophobicContact CE2-CD1 4.09Å; F769-L773 HydrophobicContact CG-CD1 3.88Å; F769-L773 HydrophobicContact CG-CD2 3.83Å; F769-L773 HydrophobicContact CG-CG 4.25Å; F769-L773 HydrophobicContact CZ-CD1 4.45Å; F769-F829 HydrophobicContact CE1-CB 4.27Å
770S47.8Very low58.8Low96 Ų9668.3 Ų68.367%0.67136%0.358SS*.  trans-85.99.3-176.578.50000114.2
771S56.6Low61.6Low53 Ų5359.6 Ų59.637%0.37132%0.321SS..SBendtrans-147.2170.3-172.565.90000112.3F769F769-S771 VanDerWaalsContact C-N 3.28Å; F769-S771 PolarHBondContact O-N 3.02Å
772Q66.7Low64.2Low73 Ų7357.8 Ų57.834%0.34131%0.31SS..EExtended strand (participates in β ladder)trans-59.5142.1161.4-66.5174.2-14.700109.2L521 Q523L521-Q772 HydrophobicContact CD2-CB 3.95Å; Q523-Q772 HydrophobicContact CB-CG 4.27Å; Q523-Q772 HydrophobicContact CG-CG 4.18Å
773L76.9Confident66.5Low3 Ų351.2 Ų51.22%0.01628%0.282CS..EExtended strand (participates in β ladder)trans-109134.1179.7-67.6172.8000109.4L521 R522 T524 F769 T775 T810L521-L773 CarbonylContact C-O 3.59Å; L521-L773 WeakPolarHBondContact CA-O 3.48Å; R522-L773 PolarHBondContact N-O 3.25Å; R522-L773 PolarHBondContact O-N 3.49Å; T524-L773 HydrophobicContact CG2-CD1 3.54Å; F769-L773 HydrophobicContact CB-CD1 4.25Å; F769-L773 HydrophobicContact CB-CD2 4.1Å; F769-L773 HydrophobicContact CB-CG 4.3Å; F769-L773 HydrophobicContact CD1-CD1 4.34Å; F769-L773 HydrophobicContact CD1-CD2 3.58Å; F769-L773 HydrophobicContact CD1-CG 4.47Å; F769-L773 HydrophobicContact CD2-CD1 3.79Å; F769-L773 HydrophobicContact CE1-CD2 3.99Å; F769-L773 HydrophobicContact CE2-CD1 4.09Å; F769-L773 HydrophobicContact CG-CD1 3.88Å; F769-L773 HydrophobicContact CG-CD2 3.83Å; F769-L773 HydrophobicContact CG-CG 4.25Å; F769-L773 HydrophobicContact CZ-CD1 4.45Å; L773-T775 HydrophobicContact CB-CG2 3.85Å; L773-T775 PolarHBondContact O-N 2.91Å; L773-T810 HydrophobicContact CD1-CG2 4.25Å; L773-T810 HydrophobicContact CD2-CG2 4.32Å
774L84.8Confident67.8Low14 Ų1452.6 Ų52.67%0.07328%0.283CS..EExtended strand (participates in β ladder)trans-75.5122163.7-166.163000108.6L519 L521 T810 E833 T836 I837L519-L774 HydrophobicContact CB-CD1 3.59Å; L519-L774 HydrophobicContact CB-CD2 4.36Å; L519-L774 HydrophobicContact CB-CG 3.94Å; L519-L774 HydrophobicContact CD1-CD1 4.4Å; L519-L774 HydrophobicContact CD1-CD2 3.63Å; L519-L774 HydrophobicContact CD1-CG 3.98Å; L521-L774 HydrophobicContact CG-CD1 4.21Å; L774-T810 VanDerWaalsContact O-CB 3.26Å; L774-T810 WeakPolarHBondContact O-CB 3.08Å; L774-T810 PolarHBondContact O-OG1 3.05Å; L774-E833 HydrophobicContact CB-CG 4.07Å; L774-E833 HydrophobicContact CD2-CB 3.75Å; L774-E833 HydrophobicContact CD2-CG 3.97Å; L774-T836 HydrophobicContact CB-CG2 4.46Å; L774-T836 HydrophobicContact CD2-CG2 4.44Å; L774-T836 HydrophobicContact CG-CG2 4.26Å; L774-I837 HydrophobicContact CD2-CD1 4.44Å; L774-I837 HydrophobicContact CD2-CG1 4.23Å
775T89.2Confident68.3Low2 Ų254.8 Ų54.81%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-131.4156.5-173.663.40000112.2V520 R522 L773 F809V520-T775 PolarHBondContact N-O 2.88Å; V520-T775 PolarHBondContact O-N 3.34Å; V520-T775 PolarHBondContact O-OG1 3.29Å; R522-T775 HydrophobicContact CB-CG2 4.31Å; R522-T775 WeakPolarHBondContact CD-OG1 3.43Å; R522-T775 VanDerWaalsContact CZ-OG1 3.27Å; R522-T775 PolarHBondContact NH1-OG1 2.99Å; L773-T775 HydrophobicContact CB-CG2 3.85Å; L773-T775 PolarHBondContact O-N 2.91Å; T775-F809 VanDerWaalsContact CA-O 3.28Å; T775-F809 WeakPolarHBondContact CA-O 3.49Å
776F92.5Very high68.4Low0 Ų053.8 Ų53.80%029%0.285CS..EExtended strand (participates in β ladder)trans-138.2155.2164.461.6-90.2000111.7L519 I778 E808 F809 T836 W839 F840 M843L519-F776 HydrophobicContact CD2-CB 3.65Å; L519-F776 HydrophobicContact CD2-CD1 3.88Å; L519-F776 HydrophobicContact CD2-CG 4.14Å; F776-I778 HydrophobicContact CD2-CD1 4.23Å; F776-I778 HydrophobicContact CD2-CG1 4.06Å; F776-I778 HydrophobicContact CE2-CD1 3.86Å; F776-I778 HydrophobicContact CE2-CG1 4.19Å; F776-E808 WeakPolarHBondContact O-CA 3.29Å; F776-F809 HydrophobicContact CD1-CB 4.22Å; F776-F809 HydrophobicContact CD2-CB 4.07Å; F776-F809 AromaticContact CD2-CD2 3.79Å; F776-F809 HydrophobicContact CD2-CD2 3.79Å; F776-F809 HydrophobicContact CD2-CG 4.22Å; F776-F809 HydrophobicContact CE1-CB 3.82Å; F776-F809 HydrophobicContact CE2-CB 3.65Å; F776-F809 HydrophobicContact CE2-CD1 4.49Å; F776-F809 AromaticContact CE2-CD2 3.5Å; F776-F809 HydrophobicContact CE2-CD2 3.5Å; F776-F809 VanDerWaalsContact CE2-CD2 3.5Å; F776-F809 HydrophobicContact CE2-CE2 4.29Å; F776-F809 AromaticContact CE2-CG 3.63Å; F776-F809 HydrophobicContact CE2-CG 3.63Å; F776-F809 HydrophobicContact CG-CB 4.34Å; F776-F809 HydrophobicContact CZ-CB 3.51Å; F776-F809 HydrophobicContact CZ-CD2 4.23Å; F776-F809 AromaticContact CZ-CG 3.88Å; F776-F809 HydrophobicContact CZ-CG 3.88Å; F776-F809 PolarHBondContact N-O 3.26Å; F776-F809 PolarHBondContact O-N 2.82Å; F776-T836 HydrophobicContact CD1-CG2 3.82Å; F776-T836 HydrophobicContact CE1-CG2 3.98Å; F776-W839 HydrophobicContact CE1-CB 4.24Å; F776-W839 HydrophobicContact CZ-CB 4.14Å; F776-F840 HydrophobicContact CB-CD2 3.75Å; F776-F840 HydrophobicContact CB-CE2 4.04Å; F776-F840 HydrophobicContact CD1-CB 3.94Å; F776-F840 HydrophobicContact CD1-CD2 4.19Å; F776-F840 HydrophobicContact CD1-CG 4.47Å; F776-F840 AromaticContact CD2-CD2 3.83Å; F776-F840 HydrophobicContact CD2-CD2 3.83Å; F776-F840 HydrophobicContact CE1-CB 3.98Å; F776-F840 HydrophobicContact CE2-CD2 4.46Å; F776-F840 HydrophobicContact CG-CB 4.28Å; F776-F840 AromaticContact CG-CD2 3.67Å; F776-F840 HydrophobicContact CG-CD2 3.67Å; F776-F840 HydrophobicContact CG-CE2 4.42Å; F776-F840 HydrophobicContact CG-CG 4.39Å; F776-F840 HydrophobicContact CZ-CB 4.37Å; F776-M843 HydrophobicContact CE2-CE 4.49Å; F776-M843 HydrophobicContact CE2-SD 3.91Å; F776-M843 HydrophobicContact CZ-CE 4.28Å; F776-M843 HydrophobicContact CZ-SD 4.13Å
777R93Very high68.3Low39 Ų3954.2 Ų54.215%0.14729%0.286CS..EExtended strand (participates in β ladder)trans-117.8144.9175.2-66.4170.8-60.7178.60.7112.4L364 L515 D516 R522 V806 F807 E808L364-R777 VanDerWaalsContact CD1-CD 3.5Å; L364-R777 HydrophobicContact CD1-CG 4.09Å; L515-R777 HydrophobicContact CB-CB 4.31Å; L515-R777 HydrophobicContact CD1-CB 4.21Å; L515-R777 PolarHBondContact N-O 2.81Å; D516-R777 IonicContact OD1-CZ 3.18Å; D516-R777 IonicContact OD1-NE 2.73Å; D516-R777 PolarHBondContact OD1-NE 3.21Å; D516-R777 IonicContact OD1-NH2 3.78Å; D516-R777 PolarHBondContact OD1-NH2 2.85Å; D516-R777 WeakPolarHBondContact OD2-CB 3.14Å; D516-R777 PolarHBondContact OD2-N 2.93Å; D516-R777 IonicContact OD2-NE 3.47Å; D516-R777 PolarHBondContact OD2-NE 2.96Å; D516-R777 IonicContact OD2-NH2 2.67Å; R522-R777 VanDerWaalsContact NH2-NE 3.11Å; R777-V806 HydrophobicContact CB-CG1 4.38Å; R777-F807 CarbonylContact C-O 3.41Å; R777-F807 WeakPolarHBondContact CA-O 3.29Å; R777-E808 HydrophobicContact CG-CB 3.93Å; R777-E808 HydrophobicContact CG-CG 3.99Å
778I93.1Very high67.5Low0 Ų057.7 Ų57.70%031%0.311CS..EExtended strand (participates in β ladder)trans-126.4129.6174.9-62.2-177.1000108I508 T512 F514 F776 V806 F807 F809 M843I508-I778 HydrophobicContact CD1-CD1 4.11Å; I508-I778 HydrophobicContact CD1-CG2 4.48Å; T512-I778 HydrophobicContact CG2-CG2 3.09Å; F514-I778 HydrophobicContact CD1-CD1 4.02Å; F514-I778 HydrophobicContact CD1-CG1 3.89Å; F514-I778 HydrophobicContact CE1-CD1 3.57Å; F514-I778 HydrophobicContact CE1-CG1 3.98Å; F514-I778 HydrophobicContact CZ-CD1 4.27Å; F776-I778 HydrophobicContact CD2-CD1 4.23Å; F776-I778 HydrophobicContact CD2-CG1 4.06Å; F776-I778 HydrophobicContact CE2-CD1 3.86Å; F776-I778 HydrophobicContact CE2-CG1 4.19Å; I778-V806 WeakPolarHBondContact O-CA 3.36Å; I778-F807 PolarHBondContact N-O 3.09Å; I778-F807 PolarHBondContact O-N 2.84Å; I778-F809 HydrophobicContact CB-CE2 3.89Å; I778-F809 HydrophobicContact CD1-CD2 4.47Å; I778-F809 HydrophobicContact CD1-CE2 3.97Å; I778-F809 HydrophobicContact CD1-CZ 4.45Å; I778-F809 HydrophobicContact CG1-CD2 4.36Å; I778-F809 HydrophobicContact CG1-CE2 3.91Å; I778-M843 HydrophobicContact CD1-SD 3.52Å; I778-M843 VanDerWaalsContact CD1-SD 3.52Å
779A92.1Very high67.1Low3 Ų357.4 Ų57.43%0.02531%0.313CS..EExtended strand (participates in β ladder)trans-97.2127.6164.400000108.8T512 D513 L515 V804 E805 V806T512-A779 CarbonylContact C-O 3.52Å; T512-A779 WeakPolarHBondContact CA-O 3.46Å; D513-A779 HydrophobicContact CB-CB 4.38Å; D513-A779 PolarHBondContact N-O 2.91Å; D513-A779 PolarHBondContact O-N 2.85Å; L515-A779 HydrophobicContact CD1-CB 4.13Å; L515-A779 HydrophobicContact CD2-CB 3.87Å; L515-A779 HydrophobicContact CG-CB 3.97Å; A779-V804 HydrophobicContact CB-CG1 3.92Å; A779-E805 CarbonylContact C-O 3.59Å; A779-E805 WeakPolarHBondContact CA-O 3.44Å; A779-V806 HydrophobicContact CB-CG2 4.13Å
780T91.9Very high66Low3 Ų362.6 Ų62.62%0.01835%0.346CS..EExtended strand (participates in β ladder)trans-142.5165.6-178.4-161.30000111I506 P507 H509 T512 V804 E805 F807I506-T780 HydrophobicContact CG2-CG2 3.9Å; P507-T780 WeakPolarHBondContact O-CB 3.46Å; P507-T780 WeakPolarHBondContact O-CG2 3.41Å; P507-T780 PolarHBondContact O-OG1 3.5Å; H509-T780 PolarHBondContact NE2-OG1 3.21Å; T512-T780 PolarHBondContact OG1-OG1 3.3Å; T780-V804 CarbonylContact O-C 3.52Å; T780-V804 WeakPolarHBondContact O-CA 3.39Å; T780-E805 PolarHBondContact N-O 2.73Å; T780-E805 PolarHBondContact O-N 2.83Å; T780-F807 HydrophobicContact CG2-CD2 4.18Å; T780-F807 HydrophobicContact CG2-CE2 4.03Å
781C87Confident65.3Low7 Ų764.4 Ų64.45%0.04735%0.347CS..  trans-132.1158.3-179.960.40000110.3P507 H509P507-C781 WeakPolarHBondContact CB-O 3.08Å; H509-C781 PolarHBondContact CE1-SG 3.33Å; H509-C781 PolarHBondContact NE2-N 3.05Å; H509-C781 PolarHBondContact NE2-O 3.36Å; H509-C781 PolarHBondContact NE2-SG 3.38Å
782H81.3Confident64Low82 Ų8269 Ų6938%0.3836%0.362SS..  trans-67.6134.3175.2-85.4-69.8000111.5D784H782-D784 PolarHBondContact O-N 2.9Å; H782-D784 VanDerWaalsContact O-N 3.16Å
783L72.8Confident62.4Low42 Ų4271.5 Ų71.522%0.2237%0.374CS..  trans-67.6108.8175.8-75.1165.1000110.4R383 Y384 P507 H509 R785R383-L783 HydrophobicContact CB-CD1 4.1Å; Y384-L783 HydrophobicContact CE1-CD1 3.93Å; Y384-L783 HydrophobicContact CE2-CD1 4.37Å; Y384-L783 WeakPolarHBondContact OH-CD1 3.31Å; P507-L783 HydrophobicContact CB-CD1 4.49Å; P507-L783 HydrophobicContact CB-CG 4.49Å; H509-L783 HydrophobicContact CB-CD2 4.16Å; L783-R785 PolarHBondContact O-N 3.5Å
784D52.7Low60.3Low134 Ų13478.6 Ų78.672%0.71741%0.411SS*.  trans-78.7118.3-170.5-137.2-9.5000112.1H782H782-D784 PolarHBondContact O-N 2.9Å; H782-D784 VanDerWaalsContact O-N 3.16Å
785R43.2Very low57.7Low209 Ų20983.7 Ų83.779%0.78945%0.448SS*.SBendtrans81.2129.9176.5-58-175.8173.2-164.2-5.2119.3L783L783-R785 PolarHBondContact O-N 3.5Å
786N35.4Very low55.1Low157 Ų15792.1 Ų92.184%0.8449%0.487SS*.  trans74.248.9159.1-59.37.7000118.6
787V38.2Very low52.4Low73 Ų7396.8 Ų96.844%0.44251%0.511SS..  trans-104122.2151.5177.80000109.1S789V787-S789 PolarHBondContact O-N 3.45Å; V787-S789 VanDerWaalsContact O-N 3.1Å
788S28.6Very low49.5Very low121 Ų121105.6 Ų105.685%0.84655%0.545SS*.  trans-84.359.5177.6-61.80000111.3
789S35Very low46.5Very low77 Ų77112.8 Ų112.854%0.53858%0.576SS.*  trans-102.584.7170.958.50000109.8V787V787-S789 PolarHBondContact O-N 3.45Å; V787-S789 VanDerWaalsContact O-N 3.1Å
790T28.3Very low43.6Very low126 Ų126119.3 Ų119.377%0.77361%0.61SS**  trans-63.3145.1163.6-16.10000109.4
791I32Very low41.2Very low135 Ų135122.8 Ų122.869%0.69265%0.646SS**SBendtrans87.2130.4170.5-46.9152.3000114.2
792H29.3Very low39.6Very low148 Ų148124.9 Ų124.969%0.68566%0.661SS**  trans67.969.4-176.7-56.3-59.3000118.1
793H33.6Very low39.1Very low127 Ų127123.8 Ų123.859%0.58866%0.663SS**  trans-116.4129.6146.6-84.9-68.1000109.6S795H793-S795 PolarHBondContact O-N 2.89Å
794L32.7Very low39.6Very low151 Ų151123.5 Ų123.579%0.79166%0.663SS**  trans-60.3129.2157-97.876.8000108.2E796L794-E796 PolarHBondContact O-N 2.93Å
795S29.1Very low41.4Very low122 Ų122118.2 Ų118.285%0.85363%0.634SS**THydrogen-bonded Turntrans-74.615.2-164.1-55.20000116.3H793H793-S795 PolarHBondContact O-N 2.89Å
796E36.5Very low43.7Very low178 Ų178108.6 Ų108.683%0.83260%0.598SS**THydrogen-bonded Turntrans-100-13.6-172.1-65.5-168.7146.300115L794 R798L794-E796 PolarHBondContact O-N 2.93Å; E796-R798 PolarHBondContact O-N 2.8Å
797L35.6Very low46.4Very low99 Ų99101.3 Ų101.352%0.51856%0.559SS.*SBendtrans-91.221.6-173.7-70.9168.9000115.4
798R30.8Very low49Very low223 Ų22398 Ų9884%0.84254%0.539SS*.  trans-127.270.6178.1-81.8-168.6-179.9163.44.3114.4E796E796-R798 PolarHBondContact O-N 2.8Å
799K30.6Very low52.1Low152 Ų15292.3 Ų92.366%0.66150%0.499SS*.SBendtrans-142.8114.5152.4-86.7178.1176.6175.10109.8D585D585-K799 IonicContact OD2-NZ 2.65Å; D585-K799 PolarHBondContact OD2-NZ 3.07Å
800N31Very low54.8Low140 Ų14088.6 Ų88.675%0.74947%0.473SS*.SBendtrans70.7106.7164.7-50.8-31.2000118.8
801G41Very low57.7Low75 Ų7582.6 Ų82.677%0.77344%0.436SS*.SBendtrans66.978.8147.300000117.9S803G801-S803 PolarHBondContact O-N 2.81Å; G801-S803 VanDerWaalsContact O-N 3.1Å
802S54Low60.2Low51 Ų5176.4 Ų76.436%0.35741%0.405SS..  trans21.972.6164.9-163.50000115.1V804S802-V804 PolarHBondContact O-N 2.99Å
803S71.6Confident62.4Low59 Ų5976.2 Ų76.241%0.41340%0.404SS..PPolyproline II helixtrans-62.5119.9179.750.30000110.2G801 E805G801-S803 PolarHBondContact O-N 2.81Å; G801-S803 VanDerWaalsContact O-N 3.1Å; S803-E805 PolarHBondContact O-N 3.41Å
804V82.6Confident63.9Low36 Ų3671.2 Ų71.222%0.21838%0.381CS..PPolyproline II helixtrans-68.8121.7171.5179.10000108.3V709 A779 T780 S802V709-V804 HydrophobicContact CG2-CB 4.31Å; V709-V804 HydrophobicContact CG2-CG1 4.26Å; A779-V804 HydrophobicContact CB-CG1 3.92Å; T780-V804 CarbonylContact O-C 3.52Å; T780-V804 WeakPolarHBondContact O-CA 3.39Å; S802-V804 PolarHBondContact O-N 2.99Å
805E89.6Confident64.9Low24 Ų2470.1 Ų70.111%0.11237%0.373CS..EExtended strand (participates in β ladder)trans-103.2139.7176.9-48.4-152147.700109.4K363 A779 T780 S803 F807K363-E805 VanDerWaalsContact CE-CD 3.48Å; K363-E805 WeakPolarHBondContact CE-OE2 3.25Å; K363-E805 IonicContact NZ-OE1 3.69Å; K363-E805 PolarHBondContact NZ-OE1 2.74Å; K363-E805 IonicContact NZ-OE2 3Å; K363-E805 PolarHBondContact NZ-OE2 3.16Å; A779-E805 CarbonylContact C-O 3.59Å; A779-E805 WeakPolarHBondContact CA-O 3.44Å; T780-E805 PolarHBondContact N-O 2.73Å; T780-E805 PolarHBondContact O-N 2.83Å; S803-E805 PolarHBondContact O-N 3.41Å; E805-F807 HydrophobicContact CB-CD2 4.4Å; E805-F807 HydrophobicContact CB-CE2 3.67Å; E805-F807 HydrophobicContact CB-CZ 4.2Å; E805-F807 WeakPolarHBondContact OE2-CZ 3.49Å
806V91.3Very high66Low7 Ų772 Ų724%0.04237%0.369CS..EExtended strand (participates in β ladder)trans-111.3126.8176.6-1730000108.9L364 L515 V709 F713 R777 I778 A779L364-V806 HydrophobicContact CB-CB 4.27Å; L364-V806 HydrophobicContact CB-CG1 4.4Å; L364-V806 HydrophobicContact CD1-CG1 3.99Å; L364-V806 PolarHBondContact N-O 3Å; L515-V806 HydrophobicContact CD1-CG1 3.6Å; L515-V806 HydrophobicContact CD1-CG2 4.31Å; V709-V806 HydrophobicContact CG1-CG2 3.66Å; F713-V806 HydrophobicContact CE2-CG2 4.27Å; R777-V806 HydrophobicContact CB-CG1 4.38Å; I778-V806 WeakPolarHBondContact O-CA 3.36Å; A779-V806 HydrophobicContact CB-CG2 4.13Å
807F93.1Very high66.3Low4 Ų469.3 Ų69.32%0.01836%0.36CS..EExtended strand (participates in β ladder)trans-115147.2176.2-64.6-88.8000110.2I361 R362 K363 L504 I506 R777 I778 T780 E805 F809I361-F807 HydrophobicContact CG2-CD1 4.11Å; R362-F807 WeakPolarHBondContact O-CA 3.37Å; K363-F807 HydrophobicContact CB-CD1 4.05Å; K363-F807 HydrophobicContact CB-CE1 3.87Å; K363-F807 HydrophobicContact CD-CE1 4.25Å; K363-F807 HydrophobicContact CD-CZ 4.37Å; K363-F807 HydrophobicContact CG-CE1 4.13Å; K363-F807 HydrophobicContact CG-CZ 4.5Å; L504-F807 HydrophobicContact CD1-CE1 4.3Å; I506-F807 HydrophobicContact CD1-CB 4.4Å; I506-F807 HydrophobicContact CD1-CD1 3.7Å; I506-F807 HydrophobicContact CD1-CD2 4.32Å; I506-F807 HydrophobicContact CD1-CE1 3.97Å; I506-F807 HydrophobicContact CD1-CG 3.89Å; I506-F807 HydrophobicContact CD1-CZ 4.39Å; I506-F807 HydrophobicContact CG1-CD1 4.32Å; I506-F807 HydrophobicContact CG1-CE1 4.1Å; I506-F807 HydrophobicContact CG1-CE2 4.34Å; I506-F807 HydrophobicContact CG1-CZ 4.12Å; I506-F807 HydrophobicContact CG2-CD2 3.82Å; I506-F807 HydrophobicContact CG2-CE2 3.86Å; I506-F807 HydrophobicContact CG2-CG 4.39Å; I506-F807 HydrophobicContact CG2-CZ 4.47Å; R777-F807 CarbonylContact C-O 3.41Å; R777-F807 WeakPolarHBondContact CA-O 3.29Å; I778-F807 PolarHBondContact N-O 3.09Å; I778-F807 PolarHBondContact O-N 2.84Å; T780-F807 HydrophobicContact CG2-CD2 4.18Å; T780-F807 HydrophobicContact CG2-CE2 4.03Å; E805-F807 HydrophobicContact CB-CD2 4.4Å; E805-F807 HydrophobicContact CB-CE2 3.67Å; E805-F807 HydrophobicContact CB-CZ 4.2Å; E805-F807 WeakPolarHBondContact OE2-CZ 3.49Å; F807-F809 HydrophobicContact CB-CD2 4.41Å; F807-F809 HydrophobicContact CB-CE1 4.47Å; F807-F809 HydrophobicContact CB-CE2 3.43Å; F807-F809 VanDerWaalsContact CB-CE2 3.43Å; F807-F809 HydrophobicContact CB-CZ 3.48Å; F807-F809 VanDerWaalsContact CB-CZ 3.48Å; F807-F809 HydrophobicContact CG-CZ 4.33Å
808E92.7Very high66.9Low4 Ų467.3 Ų67.32%0.01935%0.35CS..EExtended strand (participates in β ladder)trans-119.3137.2173.5-176173.5-167.100110.2I361 R362 L364 M373 R522 F776 R777I361-E808 WeakPolarHBondContact CA-O 3.32Å; R362-E808 HydrophobicContact CG-CB 3.99Å; R362-E808 IonicContact CZ-OE2 3.15Å; R362-E808 PolarHBondContact N-O 3.43Å; R362-E808 IonicContact NE-OE2 2.92Å; R362-E808 PolarHBondContact NE-OE2 2.94Å; R362-E808 IonicContact NH2-OE1 2.94Å; R362-E808 IonicContact NH2-OE2 2.82Å; R362-E808 PolarHBondContact NH2-OE2 3.37Å; R362-E808 PolarHBondContact O-N 3.43Å; L364-E808 HydrophobicContact CD1-CB 4.26Å; L364-E808 HydrophobicContact CD2-CB 4.43Å; L364-E808 HydrophobicContact CG-CB 4.23Å; M373-E808 HydrophobicContact CE-CG 4.25Å; M373-E808 WeakPolarHBondContact CE-O 3.33Å; R522-E808 WeakPolarHBondContact CD-OE1 3.44Å; R522-E808 IonicContact CZ-OE1 3.47Å; R522-E808 IonicContact NE-OE1 3.28Å; R522-E808 VanDerWaalsContact NH1-CD 3.32Å; R522-E808 IonicContact NH1-OE1 2.64Å; R522-E808 PolarHBondContact NH1-OE1 3.2Å; F776-E808 WeakPolarHBondContact O-CA 3.29Å; R777-E808 HydrophobicContact CG-CB 3.93Å; R777-E808 HydrophobicContact CG-CG 3.99Å
809F93.4Very high67.8Low0 Ų060.6 Ų60.60%033%0.33CS..EExtended strand (participates in β ladder)trans-128.7141.7-170.9-55.3-95.7000110.9L359 W360 I361 L385 I506 T775 F776 I778 F807L359-F809 HydrophobicContact CD1-CD1 4.23Å; W360-F809 WeakPolarHBondContact O-CA 3.48Å; I361-F809 HydrophobicContact CD1-CD1 4.1Å; I361-F809 HydrophobicContact CD1-CE1 3.92Å; I361-F809 HydrophobicContact CG1-CD1 3.84Å; I361-F809 HydrophobicContact CG1-CE1 4.07Å; I361-F809 HydrophobicContact CG2-CD1 4.33Å; I361-F809 HydrophobicContact CG2-CE1 4.06Å; L385-F809 HydrophobicContact CD2-CD1 4.49Å; L385-F809 HydrophobicContact CD2-CE1 3.79Å; I506-F809 HydrophobicContact CD1-CE1 3.79Å; I506-F809 HydrophobicContact CD1-CZ 3.79Å; T775-F809 VanDerWaalsContact CA-O 3.28Å; T775-F809 WeakPolarHBondContact CA-O 3.49Å; F776-F809 HydrophobicContact CD1-CB 4.22Å; F776-F809 HydrophobicContact CD2-CB 4.07Å; F776-F809 AromaticContact CD2-CD2 3.79Å; F776-F809 HydrophobicContact CD2-CD2 3.79Å; F776-F809 HydrophobicContact CD2-CG 4.22Å; F776-F809 HydrophobicContact CE1-CB 3.82Å; F776-F809 HydrophobicContact CE2-CB 3.65Å; F776-F809 HydrophobicContact CE2-CD1 4.49Å; F776-F809 AromaticContact CE2-CD2 3.5Å; F776-F809 HydrophobicContact CE2-CD2 3.5Å; F776-F809 VanDerWaalsContact CE2-CD2 3.5Å; F776-F809 HydrophobicContact CE2-CE2 4.29Å; F776-F809 AromaticContact CE2-CG 3.63Å; F776-F809 HydrophobicContact CE2-CG 3.63Å; F776-F809 HydrophobicContact CG-CB 4.34Å; F776-F809 HydrophobicContact CZ-CB 3.51Å; F776-F809 HydrophobicContact CZ-CD2 4.23Å; F776-F809 AromaticContact CZ-CG 3.88Å; F776-F809 HydrophobicContact CZ-CG 3.88Å; F776-F809 PolarHBondContact N-O 3.26Å; F776-F809 PolarHBondContact O-N 2.82Å; I778-F809 HydrophobicContact CB-CE2 3.89Å; I778-F809 HydrophobicContact CD1-CD2 4.47Å; I778-F809 HydrophobicContact CD1-CE2 3.97Å; I778-F809 HydrophobicContact CD1-CZ 4.45Å; I778-F809 HydrophobicContact CG1-CD2 4.36Å; I778-F809 HydrophobicContact CG1-CE2 3.91Å; F807-F809 HydrophobicContact CB-CD2 4.41Å; F807-F809 HydrophobicContact CB-CE1 4.47Å; F807-F809 HydrophobicContact CB-CE2 3.43Å; F807-F809 VanDerWaalsContact CB-CE2 3.43Å; F807-F809 HydrophobicContact CB-CZ 3.48Å; F807-F809 VanDerWaalsContact CB-CZ 3.48Å; F807-F809 HydrophobicContact CG-CZ 4.33Å
810T91.3Very high68.5Low0 Ų059.9 Ų59.90%033%0.334CS..EExtended strand (participates in β ladder)trans-142.4144.7158.8-172.30000108.8W360 M373 L773 L774W360-T810 HydrophobicContact CB-CG2 3.67Å; W360-T810 HydrophobicContact CG-CG2 4.25Å; W360-T810 PolarHBondContact N-O 3.16Å; W360-T810 PolarHBondContact O-N 3.17Å; W360-T810 VanDerWaalsContact O-N 3.08Å; M373-T810 HydrophobicContact CE-CG2 4.07Å; M373-T810 HydrophobicContact SD-CG2 4.21Å; L773-T810 HydrophobicContact CD1-CG2 4.25Å; L773-T810 HydrophobicContact CD2-CG2 4.32Å; L774-T810 VanDerWaalsContact O-CB 3.26Å; L774-T810 WeakPolarHBondContact O-CB 3.08Å; L774-T810 PolarHBondContact O-OG1 3.05Å
811A90.2Very high69Low0 Ų059 Ų590%033%0.325CS..EExtended strand (participates in β ladder)trans-97.2156.6-177.700000112.3L359 S831 D832 E835 T836L359-A811 HydrophobicContact CD2-CB 3.83Å; A811-S831 CarbonylContact O-C 3.6Å; A811-S831 WeakPolarHBondContact O-CA 3.49Å; A811-D832 PolarHBondContact O-N 2.94Å; A811-E835 HydrophobicContact CB-CB 4Å; A811-E835 HydrophobicContact CB-CG 3.62Å; A811-T836 WeakPolarHBondContact CB-OG1 3.38Å; A811-T836 PolarHBondContact N-OG1 2.74Å
812T84.2Confident69.3Low5 Ų556.3 Ų56.33%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-139.2148.9170.6-166.60000109Y358 L375 F829 K830Y358-T812 PolarHBondContact O-N 3.25Å; L375-T812 HydrophobicContact CD1-CG2 3.92Å; T812-F829 HydrophobicContact CG2-CD1 4.44Å; T812-K830 PolarHBondContact OG1-O 2.84Å
813Q75.4Confident68.8Low144 Ų14457.8 Ų57.867%0.67330%0.297SS*.  trans-100118.9175.9-166171.6106.400108.2D832Q813-D832 HydrophobicContact CB-CB 4.24Å; Q813-D832 WeakPolarHBondContact CB-OD2 3.25Å; Q813-D832 PolarHBondContact NE2-OD2 3.36Å
814M66Low67.1Low21 Ų2163.9 Ų63.910%0.10332%0.319CS..  trans-113.2137.2169-76.4-170.765.200108.7Y358 L375 D818 L819 L822 F829Y358-M814 HydrophobicContact CD2-CB 3.98Å; Y358-M814 HydrophobicContact CE2-CB 3.93Å; L375-M814 HydrophobicContact CD2-SD 4.17Å; M814-D818 HydrophobicContact CE-CB 3.78Å; M814-L819 HydrophobicContact CE-CD1 4.18Å; M814-L822 HydrophobicContact CE-CD1 3.97Å; M814-L822 HydrophobicContact CE-CD2 4.01Å; M814-L822 HydrophobicContact CE-CG 4.02Å; M814-F829 HydrophobicContact CG-CE1 4.44Å; M814-F829 HydrophobicContact SD-CE1 3.98Å
815M53.7Low64.6Low128 Ų12866 Ų6663%0.63134%0.335SS*.  trans-76.7149.5163.5-65.3-124.263.800109.2N817 D818M815-N817 PolarHBondContact O-N 3.43Å; M815-N817 VanDerWaalsContact O-N 3.09Å; M815-D818 WeakPolarHBondContact CB-OD2 3.21Å; M815-D818 PolarHBondContact N-OD2 3.29Å; M815-D818 WeakPolarHBondContact O-CB 2.89Å; M815-D818 PolarHBondContact O-N 2.92Å
816E52Low62.2Low163 Ų16370.2 Ų70.276%0.76237%0.368SS*.G310 helixtrans-61.8-22.4-177.2-151.5162.5-145.900112.1
817N41.7Very low59.8Low120 Ų12072.5 Ų72.564%0.64238%0.381SS*.G310 helixtrans-79.6-12.9174.8-58.4-13.4000114.5M815 L819M815-N817 PolarHBondContact O-N 3.43Å; M815-N817 VanDerWaalsContact O-N 3.09Å; N817-L819 VanDerWaalsContact C-N 3.32Å
818D48.1Very low57.8Low58 Ų5876 Ų7631%0.3140%0.403SS..G310 helixtrans-81.9-16.7-176.8-59.8-27.6000111.8M814 M815 D820 Q821 L822M814-D818 HydrophobicContact CE-CB 3.78Å; M815-D818 WeakPolarHBondContact CB-OD2 3.21Å; M815-D818 PolarHBondContact N-OD2 3.29Å; M815-D818 WeakPolarHBondContact O-CB 2.89Å; M815-D818 PolarHBondContact O-N 2.92Å; D818-D820 VanDerWaalsContact C-N 3.27Å; D818-D820 PolarHBondContact O-N 2.85Å; D818-Q821 PolarHBondContact O-N 2.74Å; D818-Q821 VanDerWaalsContact O-N 3.08Å; D818-L822 PolarHBondContact O-N 3.28Å
819L51.1Low55.9Low81 Ų8177 Ų7742%0.42441%0.407SS..THydrogen-bonded Turntrans-62.7-35-177.3-157.474.6000112.2I390 M814 N817 L822I390-L819 HydrophobicContact CG2-CD1 4.19Å; M814-L819 HydrophobicContact CE-CD1 4.18Å; N817-L819 VanDerWaalsContact C-N 3.32Å; L819-L822 HydrophobicContact CD1-CD1 4.01Å
820D44.4Very low54.3Low137 Ų13784.5 Ų84.573%0.73344%0.44SS*.THydrogen-bonded Turntrans-76-26.9176.1-62.4-30.7000112.2D818D818-D820 VanDerWaalsContact C-N 3.27Å; D818-D820 PolarHBondContact O-N 2.85Å
821Q42.1Very low53.2Low121 Ų12185.4 Ų85.457%0.56545%0.447SS*.G310 helixtrans-85.8-7.7-179.7-74.1177.27300114D818 N823 E824D818-Q821 PolarHBondContact O-N 2.74Å; D818-Q821 VanDerWaalsContact O-N 3.08Å; Q821-N823 PolarHBondContact O-N 2.73Å; Q821-E824 PolarHBondContact O-N 3.17Å
822L47.5Very low52.7Low19 Ų1986.8 Ų86.810%0.09945%0.454CS..G310 helixtrans-58.1-20.1179-77.5-178.3000114.4I390 M814 D818 L819 F829I390-L822 HydrophobicContact CG2-CD1 4.21Å; M814-L822 HydrophobicContact CE-CD1 3.97Å; M814-L822 HydrophobicContact CE-CD2 4.01Å; M814-L822 HydrophobicContact CE-CG 4.02Å; D818-L822 PolarHBondContact O-N 3.28Å; L819-L822 HydrophobicContact CD1-CD1 4.01Å; L822-F829 HydrophobicContact CD2-CE1 3.98Å; L822-F829 HydrophobicContact CD2-CE2 4.47Å; L822-F829 HydrophobicContact CD2-CZ 3.5Å; L822-F829 VanDerWaalsContact CD2-CZ 3.5Å
823N42.9Very low52.6Low83 Ų8391.3 Ų91.344%0.44448%0.475SS..G310 helixtrans-91.6-16.2-173.3-64.1-44.9000114.8H394 Q821H394-N823 PolarHBondContact N-OD1 2.94Å; Q821-N823 PolarHBondContact O-N 2.73Å
824E35Very low53.1Low186 Ų18692.2 Ų92.287%0.86948%0.479SS*.THydrogen-bonded Turntrans-106.2-7.4-168.4-72.4-158.2142.100116.3Q821Q821-E824 PolarHBondContact O-N 3.17Å
825S31Very low54.2Low80 Ų8092.8 Ų92.856%0.55948%0.481SS*.SBendtrans-153.2163.1174.164.10000112.7T827S825-T827 PolarHBondContact O-N 2.95Å
826S38.4Very low55.9Low114 Ų11486.7 Ų86.780%0.79745%0.451SS*.  trans-6680.517058.60000109.8V828S826-V828 PolarHBondContact O-N 2.79Å
827T42.6Very low57.7Low54 Ų5481 Ų8133%0.33143%0.426SS..  trans-65.1100.5179.144.10000108.8S825 F829S825-T827 PolarHBondContact O-N 2.95Å; T827-F829 VanDerWaalsContact C-N 3.28Å; T827-F829 VanDerWaalsContact O-CD2 3.22Å; T827-F829 WeakPolarHBondContact O-CD2 3.13Å; T827-F829 PolarHBondContact O-N 2.79Å
828V49.1Very low60Low79 Ų7977.1 Ų77.148%0.47941%0.41SS..  trans-71.189176.9-178.70000108S826 K830S826-V828 PolarHBondContact O-N 2.79Å; V828-K830 PolarHBondContact O-N 2.96Å; V828-K830 VanDerWaalsContact O-N 3.1Å
829F53.7Low62.2Low23 Ų2374.3 Ų74.310%0.10140%0.395CS..  trans-58.5114.2173.1-66.4-83.4000109.5W360 L375 F769 T812 M814 L822 T827W360-F829 HydrophobicContact CH2-CD2 4.14Å; W360-F829 HydrophobicContact CH2-CE2 4.16Å; W360-F829 HydrophobicContact CZ2-CB 4.1Å; W360-F829 HydrophobicContact CZ2-CD1 4Å; W360-F829 AromaticContact CZ2-CD2 3.57Å; W360-F829 HydrophobicContact CZ2-CD2 3.57Å; W360-F829 HydrophobicContact CZ2-CE1 4.24Å; W360-F829 AromaticContact CZ2-CE2 3.84Å; W360-F829 HydrophobicContact CZ2-CE2 3.84Å; W360-F829 AromaticContact CZ2-CG 3.64Å; W360-F829 HydrophobicContact CZ2-CG 3.64Å; W360-F829 HydrophobicContact CZ2-CZ 4.15Å; L375-F829 HydrophobicContact CD2-CE1 3.87Å; L375-F829 HydrophobicContact CD2-CZ 4.04Å; F769-F829 HydrophobicContact CE1-CB 4.27Å; T812-F829 HydrophobicContact CG2-CD1 4.44Å; M814-F829 HydrophobicContact CG-CE1 4.44Å; M814-F829 HydrophobicContact SD-CE1 3.98Å; L822-F829 HydrophobicContact CD2-CE1 3.98Å; L822-F829 HydrophobicContact CD2-CE2 4.47Å; L822-F829 HydrophobicContact CD2-CZ 3.5Å; L822-F829 VanDerWaalsContact CD2-CZ 3.5Å; T827-F829 VanDerWaalsContact C-N 3.28Å; T827-F829 VanDerWaalsContact O-CD2 3.22Å; T827-F829 WeakPolarHBondContact O-CD2 3.13Å; T827-F829 PolarHBondContact O-N 2.79Å
830K59Low64.2Low159 Ų15971.5 Ų71.569%0.69138%0.379SS*.  trans-84.9140.1169.7-68.9-178.3179.3176.60108.9T812 V828 D832T812-K830 PolarHBondContact OG1-O 2.84Å; V828-K830 PolarHBondContact O-N 2.96Å; V828-K830 VanDerWaalsContact O-N 3.1Å; K830-D832 PolarHBondContact O-N 3.2Å
831S68.3Low66.4Low19 Ų1966.6 Ų66.613%0.13336%0.356CS..  trans-68.3132.1166.973.10000108.7A811A811-S831 CarbonylContact O-C 3.6Å; A811-S831 WeakPolarHBondContact O-CA 3.49Å
832D80.9Confident68.8Low29 Ų2962 Ų6216%0.15534%0.335CS..  trans-90.1109.1169.3-178.1-19.6000107.8A811 Q813 K830 E834 E835 T836A811-D832 PolarHBondContact O-N 2.94Å; Q813-D832 HydrophobicContact CB-CB 4.24Å; Q813-D832 WeakPolarHBondContact CB-OD2 3.25Å; Q813-D832 PolarHBondContact NE2-OD2 3.36Å; K830-D832 PolarHBondContact O-N 3.2Å; D832-E834 PolarHBondContact OD1-N 3.16Å; D832-E835 HydrophobicContact CB-CB 3.78Å; D832-E835 PolarHBondContact OD1-N 3.49Å; D832-E835 WeakPolarHBondContact OD2-CB 3.21Å; D832-T836 VanDerWaalsContact O-CB 3.28Å; D832-T836 WeakPolarHBondContact O-CB 3.32Å; D832-T836 PolarHBondContact O-N 3.19Å; D832-T836 PolarHBondContact O-OG1 3.13Å
833E82.5Confident71.1Confident100 Ų10061.1 Ų61.147%0.46733%0.33SS..Hα-helixtrans-66.4-40.3179.8-64.1-169.8172.100111.7L774 T836 I837L774-E833 HydrophobicContact CB-CG 4.07Å; L774-E833 HydrophobicContact CD2-CB 3.75Å; L774-E833 HydrophobicContact CD2-CG 3.97Å; E833-T836 PolarHBondContact O-N 2.81Å; E833-I837 WeakPolarHBondContact O-CD1 3.27Å; E833-I837 WeakPolarHBondContact O-CG1 3.46Å; E833-I837 PolarHBondContact O-N 2.82Å
834E85.9Confident73.4Confident163 Ų16360 Ų6076%0.76232%0.321SS*.Hα-helixtrans-67.6-44.1-179.9-64.5-169.6178.800110.8D832 T836 I837 A838D832-E834 PolarHBondContact OD1-N 3.16Å; E834-T836 VanDerWaalsContact C-N 3.34Å; E834-I837 WeakPolarHBondContact O-CB 3.47Å; E834-I837 PolarHBondContact O-N 2.89Å; E834-A838 WeakPolarHBondContact O-CB 3.4Å; E834-A838 PolarHBondContact O-N 2.7Å
835E88.6Confident76.1Confident32 Ų3255.3 Ų55.315%0.1530%0.298CS..Hα-helixtrans-67-35.9175.8-177.964.4-17800111.3K355 A811 D832 A838 W839K355-E835 VanDerWaalsContact CE-CD 3.48Å; K355-E835 WeakPolarHBondContact CE-OE1 3.35Å; K355-E835 WeakPolarHBondContact CE-OE2 3.45Å; K355-E835 IonicContact NZ-OE1 3.32Å; K355-E835 PolarHBondContact NZ-OE1 2.9Å; K355-E835 IonicContact NZ-OE2 3.05Å; K355-E835 PolarHBondContact NZ-OE2 2.73Å; A811-E835 HydrophobicContact CB-CB 4Å; A811-E835 HydrophobicContact CB-CG 3.62Å; D832-E835 HydrophobicContact CB-CB 3.78Å; D832-E835 PolarHBondContact OD1-N 3.49Å; D832-E835 WeakPolarHBondContact OD2-CB 3.21Å; E835-A838 PolarHBondContact O-N 3.24Å; E835-W839 PolarHBondContact O-N 2.81Å; E835-W839 PolarHBondContact OE1-NE1 3.05Å
836T89.6Confident79Confident0 Ų051.6 Ų51.60%027%0.272CS..Hα-helixtrans-63.6-43.7173.3-60.70000111.3L519 L774 F776 A811 D832 E833 E834 A838 W839 F840L519-T836 HydrophobicContact CD1-CG2 4.46Å; L774-T836 HydrophobicContact CB-CG2 4.46Å; L774-T836 HydrophobicContact CD2-CG2 4.44Å; L774-T836 HydrophobicContact CG-CG2 4.26Å; F776-T836 HydrophobicContact CD1-CG2 3.82Å; F776-T836 HydrophobicContact CE1-CG2 3.98Å; A811-T836 WeakPolarHBondContact CB-OG1 3.38Å; A811-T836 PolarHBondContact N-OG1 2.74Å; D832-T836 VanDerWaalsContact O-CB 3.28Å; D832-T836 WeakPolarHBondContact O-CB 3.32Å; D832-T836 PolarHBondContact O-N 3.19Å; D832-T836 PolarHBondContact O-OG1 3.13Å; E833-T836 PolarHBondContact O-N 2.81Å; E834-T836 VanDerWaalsContact C-N 3.34Å; T836-A838 VanDerWaalsContact C-N 3.34Å; T836-W839 PolarHBondContact O-N 3.3Å; T836-F840 WeakPolarHBondContact O-CB 3.33Å; T836-F840 PolarHBondContact O-N 2.89Å
837I89.4Confident81.6Confident45 Ų4546.7 Ų46.723%0.23124%0.237CC..Hα-helixtrans-60.7-43.7172.7-68.6159000110.7L519 L733 L774 E833 E834 F840 S841L519-I837 HydrophobicContact CD1-CB 4.19Å; L519-I837 HydrophobicContact CD1-CD1 4.46Å; L519-I837 HydrophobicContact CD1-CG1 3.3Å; L733-I837 HydrophobicContact CD1-CD1 4.01Å; L774-I837 HydrophobicContact CD2-CD1 4.44Å; L774-I837 HydrophobicContact CD2-CG1 4.23Å; E833-I837 WeakPolarHBondContact O-CD1 3.27Å; E833-I837 WeakPolarHBondContact O-CG1 3.46Å; E833-I837 PolarHBondContact O-N 2.82Å; E834-I837 WeakPolarHBondContact O-CB 3.47Å; E834-I837 PolarHBondContact O-N 2.89Å; I837-F840 PolarHBondContact O-N 3Å; I837-S841 VanDerWaalsContact O-CB 3.3Å; I837-S841 WeakPolarHBondContact O-CB 3.33Å; I837-S841 PolarHBondContact O-N 3.15Å
838A90.5Very high84Confident37 Ų3749.1 Ų49.131%0.30625%0.245SC..Hα-helixtrans-62.7-44.7179.500000112.1E834 E835 T836 S841 I842E834-A838 WeakPolarHBondContact O-CB 3.4Å; E834-A838 PolarHBondContact O-N 2.7Å; E835-A838 PolarHBondContact O-N 3.24Å; T836-A838 VanDerWaalsContact C-N 3.34Å; A838-S841 PolarHBondContact O-N 3Å; A838-I842 WeakPolarHBondContact O-CG2 3.48Å; A838-I842 PolarHBondContact O-N 3.26Å
839W93.6Very high86.1Confident0 Ų045.8 Ų45.80%022%0.224CC..Hα-helixtrans-61.5-48.6175.3-85110.8000112.7K355 L359 C378 L380 L385 F776 E835 T836 S841 I842 M843K355-W839 HydrophobicContact CB-CE3 4.48Å; K355-W839 HydrophobicContact CB-CH2 4.24Å; K355-W839 HydrophobicContact CB-CZ3 4.1Å; K355-W839 HydrophobicContact CD-CD2 3.75Å; K355-W839 HydrophobicContact CD-CE3 3.95Å; K355-W839 HydrophobicContact CD-CG 4.19Å; K355-W839 HydrophobicContact CD-CH2 4.49Å; K355-W839 HydrophobicContact CD-CZ2 4.29Å; K355-W839 HydrophobicContact CD-CZ3 4.31Å; K355-W839 HydrophobicContact CG-CD2 4.32Å; K355-W839 HydrophobicContact CG-CE3 4.29Å; K355-W839 HydrophobicContact CG-CH2 4.01Å; K355-W839 HydrophobicContact CG-CZ2 3.99Å; K355-W839 HydrophobicContact CG-CZ3 4.14Å; L359-W839 HydrophobicContact CD1-CD2 3.79Å; L359-W839 HydrophobicContact CD1-CE3 4.02Å; L359-W839 HydrophobicContact CD1-CG 4.23Å; L359-W839 HydrophobicContact CD1-CH2 4.32Å; L359-W839 HydrophobicContact CD1-CZ2 4.13Å; L359-W839 HydrophobicContact CD1-CZ3 4.27Å; L359-W839 HydrophobicContact CD2-CB 4.31Å; L359-W839 HydrophobicContact CD2-CD2 4.22Å; L359-W839 HydrophobicContact CD2-CG 3.82Å; L359-W839 HydrophobicContact CG-CD2 4.16Å; L359-W839 HydrophobicContact CG-CG 4.29Å; L359-W839 HydrophobicContact CG-CZ2 4.32Å; C378-W839 HydrophobicContact CB-CH2 3.96Å; C378-W839 HydrophobicContact CB-CZ2 4.19Å; L380-W839 HydrophobicContact CB-CZ3 3.98Å; L385-W839 HydrophobicContact CD1-CE3 4.49Å; L385-W839 HydrophobicContact CD1-CH2 4.1Å; L385-W839 HydrophobicContact CD1-CZ3 3.65Å; F776-W839 HydrophobicContact CE1-CB 4.24Å; F776-W839 HydrophobicContact CZ-CB 4.14Å; E835-W839 PolarHBondContact O-N 2.81Å; E835-W839 PolarHBondContact OE1-NE1 3.05Å; T836-W839 PolarHBondContact O-N 3.3Å; W839-S841 VanDerWaalsContact C-N 3.33Å; W839-S841 PolarHBondContact O-N 3.01Å; W839-I842 HydrophobicContact CE3-CG2 4.25Å; W839-I842 WeakPolarHBondContact O-CG2 3.28Å; W839-I842 PolarHBondContact O-N 3.05Å; W839-M843 HydrophobicContact CD2-CE 4.46Å; W839-M843 HydrophobicContact CE3-CE 3.68Å; W839-M843 HydrophobicContact CZ3-CE 4.22Å; W839-M843 WeakPolarHBondContact O-CB 3.23Å; W839-M843 VanDerWaalsContact O-CG 3.28Å; W839-M843 WeakPolarHBondContact O-CG 3.3Å; W839-M843 PolarHBondContact O-N 3.29Å
840F92.7Very high87.9Confident22 Ų2244.7 Ų44.710%0.09622%0.219CC..Hα-helixtrans-60.6-42.2177-180-109.1000112.2F514 D516 L519 F776 T836 I837 K844F514-F840 HydrophobicContact CD1-CD2 4.16Å; F514-F840 AromaticContact CD1-CE2 3.99Å; F514-F840 HydrophobicContact CD1-CE2 3.99Å; D516-F840 VanDerWaalsContact O-CZ 3.29Å; D516-F840 WeakPolarHBondContact O-CZ 3.28Å; L519-F840 HydrophobicContact CD2-CB 3.86Å; L519-F840 HydrophobicContact CD2-CD1 3.84Å; L519-F840 HydrophobicContact CD2-CD2 3.91Å; L519-F840 HydrophobicContact CD2-CE1 4.22Å; L519-F840 HydrophobicContact CD2-CE2 4.27Å; L519-F840 HydrophobicContact CD2-CG 3.64Å; L519-F840 HydrophobicContact CD2-CZ 4.37Å; L519-F840 HydrophobicContact CG-CD1 4.39Å; F776-F840 HydrophobicContact CB-CD2 3.75Å; F776-F840 HydrophobicContact CB-CE2 4.04Å; F776-F840 HydrophobicContact CD1-CB 3.94Å; F776-F840 HydrophobicContact CD1-CD2 4.19Å; F776-F840 HydrophobicContact CD1-CG 4.47Å; F776-F840 AromaticContact CD2-CD2 3.83Å; F776-F840 HydrophobicContact CD2-CD2 3.83Å; F776-F840 HydrophobicContact CE1-CB 3.98Å; F776-F840 HydrophobicContact CE2-CD2 4.46Å; F776-F840 HydrophobicContact CG-CB 4.28Å; F776-F840 AromaticContact CG-CD2 3.67Å; F776-F840 HydrophobicContact CG-CD2 3.67Å; F776-F840 HydrophobicContact CG-CE2 4.42Å; F776-F840 HydrophobicContact CG-CG 4.39Å; F776-F840 HydrophobicContact CZ-CB 4.37Å; T836-F840 WeakPolarHBondContact O-CB 3.33Å; T836-F840 PolarHBondContact O-N 2.89Å; I837-F840 PolarHBondContact O-N 3Å; F840-K844 HydrophobicContact CE1-CD 4.12Å; F840-K844 HydrophobicContact CE2-CD 4.47Å; F840-K844 HydrophobicContact CZ-CD 4.13Å; F840-K844 PolarHBondContact O-N 3.32Å
841S91.5Very high89.5Confident34 Ų3442.9 Ų42.924%0.23821%0.213CC..Hα-helixtrans-66.7-45.1178.9-165.50000112.4I837 A838 W839 K844 K845I837-S841 VanDerWaalsContact O-CB 3.3Å; I837-S841 WeakPolarHBondContact O-CB 3.33Å; I837-S841 PolarHBondContact O-N 3.15Å; A838-S841 PolarHBondContact O-N 3Å; W839-S841 VanDerWaalsContact C-N 3.33Å; W839-S841 PolarHBondContact O-N 3.01Å; S841-K844 PolarHBondContact O-N 3.31Å; S841-K845 WeakPolarHBondContact O-CG 3.41Å; S841-K845 PolarHBondContact O-N 2.71Å
842I92.5Very high90.7Very high25 Ų2546.1 Ų46.113%0.12823%0.228CC..Hα-helixtrans-69.9-38.2-178.6-161.965.3000111.7P103 L354 K355 L380 A838 W839 K845 H846P103-I842 HydrophobicContact CG-CD1 4.04Å; L354-I842 HydrophobicContact CB-CD1 4.5Å; L354-I842 HydrophobicContact CB-CG1 4.09Å; K355-I842 HydrophobicContact CB-CG2 4.07Å; K355-I842 HydrophobicContact CD-CG2 3.84Å; L380-I842 HydrophobicContact CD2-CG1 4.45Å; L380-I842 HydrophobicContact CD2-CG2 4.04Å; A838-I842 WeakPolarHBondContact O-CG2 3.48Å; A838-I842 PolarHBondContact O-N 3.26Å; W839-I842 HydrophobicContact CE3-CG2 4.25Å; W839-I842 WeakPolarHBondContact O-CG2 3.28Å; W839-I842 PolarHBondContact O-N 3.05Å; I842-K845 PolarHBondContact O-N 3.09Å; I842-H846 VanDerWaalsContact O-CB 3.23Å; I842-H846 WeakPolarHBondContact O-CB 3.18Å; I842-H846 PolarHBondContact O-N 2.87Å
843M94.5Very high91.2Very high0 Ų045.6 Ų45.60%022%0.224CC..Hα-helixtrans-61.6-45.1174.9-70.8-179.6-170.300111.2L359 L380 L385 F514 F776 I778 W839 H846 V847L359-M843 HydrophobicContact CD1-CE 4Å; L380-M843 HydrophobicContact CD2-CG 4.05Å; L385-M843 HydrophobicContact CD1-CE 4Å; L385-M843 HydrophobicContact CD2-CE 3.75Å; L385-M843 HydrophobicContact CG-CE 4.46Å; F514-M843 HydrophobicContact CE1-CB 3.85Å; F514-M843 HydrophobicContact CZ-CB 3.91Å; F776-M843 HydrophobicContact CE2-CE 4.49Å; F776-M843 HydrophobicContact CE2-SD 3.91Å; F776-M843 HydrophobicContact CZ-CE 4.28Å; F776-M843 HydrophobicContact CZ-SD 4.13Å; I778-M843 HydrophobicContact CD1-SD 3.52Å; I778-M843 VanDerWaalsContact CD1-SD 3.52Å; W839-M843 HydrophobicContact CD2-CE 4.46Å; W839-M843 HydrophobicContact CE3-CE 3.68Å; W839-M843 HydrophobicContact CZ3-CE 4.22Å; W839-M843 WeakPolarHBondContact O-CB 3.23Å; W839-M843 VanDerWaalsContact O-CG 3.28Å; W839-M843 WeakPolarHBondContact O-CG 3.3Å; W839-M843 PolarHBondContact O-N 3.29Å; M843-H846 PolarHBondContact O-N 2.86Å; M843-V847 WeakPolarHBondContact O-CG2 3.48Å; M843-V847 PolarHBondContact O-N 3.17Å
844K91.9Very high91.5Very high58 Ų5842.2 Ų42.225%0.25222%0.215SC..Hα-helixtrans-62.2-47175.7-79.1-171.9172.6-1770112.8F514 F840 S841 H846 V847 Q848F514-K844 HydrophobicContact CD1-CD 4.3Å; F514-K844 HydrophobicContact CD1-CG 3.7Å; F514-K844 HydrophobicContact CD2-CG 3.89Å; F514-K844 HydrophobicContact CE1-CG 3.6Å; F514-K844 HydrophobicContact CE2-CG 3.79Å; F514-K844 HydrophobicContact CG-CD 4.29Å; F514-K844 HydrophobicContact CG-CG 3.85Å; F514-K844 HydrophobicContact CZ-CB 4.36Å; F514-K844 HydrophobicContact CZ-CG 3.65Å; F840-K844 HydrophobicContact CE1-CD 4.12Å; F840-K844 HydrophobicContact CE2-CD 4.47Å; F840-K844 HydrophobicContact CZ-CD 4.13Å; F840-K844 PolarHBondContact O-N 3.32Å; S841-K844 PolarHBondContact O-N 3.31Å; K844-H846 VanDerWaalsContact C-N 3.25Å; K844-H846 PolarHBondContact O-N 3.25Å; K844-V847 PolarHBondContact O-N 3.33Å; K844-Q848 WeakPolarHBondContact O-CG 3.25Å; K844-Q848 PolarHBondContact O-N 3.42Å; K844-Q848 VanDerWaalsContact O-N 3.09Å
845K91.8Very high91.3Very high89 Ų8937.7 Ų37.739%0.38720%0.202SC..Hα-helixtrans-61.3-35.1177.2-75.4175.5178.9175.40112.4S841 I842 Q848 E849S841-K845 WeakPolarHBondContact O-CG 3.41Å; S841-K845 PolarHBondContact O-N 2.71Å; I842-K845 PolarHBondContact O-N 3.09Å; K845-Q848 PolarHBondContact O-N 3.1Å; K845-E849 WeakPolarHBondContact O-CB 3.49Å; K845-E849 PolarHBondContact O-N 2.96Å
846H92.9Very high91.1Very high2 Ų241.4 Ų41.41%0.00922%0.219CC..Hα-helixtrans-71.8-38.3178.1-179.347.8000112.6L354 L380 D382 I842 M843 K844 Q848 E849 Q850 F858L354-H846 HydrophobicContact CD1-CB 3.66Å; L354-H846 VanDerWaalsContact CD1-CG 3.4Å; L354-H846 WeakPolarHBondContact CD1-ND1 3.36Å; L380-H846 HydrophobicContact CD2-CB 4.26Å; D382-H846 PolarHBondContact O-CE1 2.88Å; D382-H846 PolarHBondContact O-NE2 2.77Å; I842-H846 VanDerWaalsContact O-CB 3.23Å; I842-H846 WeakPolarHBondContact O-CB 3.18Å; I842-H846 PolarHBondContact O-N 2.87Å; M843-H846 PolarHBondContact O-N 2.86Å; K844-H846 VanDerWaalsContact C-N 3.25Å; K844-H846 PolarHBondContact O-N 3.25Å; H846-Q848 VanDerWaalsContact C-N 3.32Å; H846-Q848 PolarHBondContact O-N 3.13Å; H846-E849 IonicContact CE1-OE2 2.64Å; H846-E849 IonicContact ND1-OE2 2.75Å; H846-E849 PolarHBondContact ND1-OE2 2.99Å; H846-E849 WeakPolarHBondContact O-CB 3.41Å; H846-E849 PolarHBondContact O-N 2.8Å; H846-Q850 PolarHBondContact NE2-NE2 2.81Å; H846-Q850 WeakPolarHBondContact O-CG 3.43Å; H846-Q850 PolarHBondContact O-N 3Å; H846-F858 AromaticContact CE1-CE1 3.79Å
847V92.6Very high91Very high10 Ų1041.7 Ų41.76%0.06122%0.222CC..Hα-helixtrans-60.9-43.1170.6171.70000110.8I508 H509 F514 M843 K844 E849 Q850 E851I508-V847 HydrophobicContact CG2-CG2 3.76Å; H509-V847 WeakPolarHBondContact O-CG1 3.46Å; F514-V847 HydrophobicContact CE2-CB 4.4Å; F514-V847 HydrophobicContact CE2-CG2 3.98Å; F514-V847 HydrophobicContact CZ-CG2 4.2Å; M843-V847 WeakPolarHBondContact O-CG2 3.48Å; M843-V847 PolarHBondContact O-N 3.17Å; K844-V847 PolarHBondContact O-N 3.33Å; V847-E849 PolarHBondContact O-N 3.29Å; V847-Q850 WeakPolarHBondContact O-CB 3.07Å; V847-Q850 PolarHBondContact O-N 3.19Å; V847-E851 PolarHBondContact O-N 3.16Å
848Q92.5Very high91Very high106 Ų10639.7 Ų39.750%0.49521%0.211SC..Hα-helixtrans-62.6-38.5173.7-68171.1-18.400112.9K844 K845 H846 Q850 E851 I852K844-Q848 WeakPolarHBondContact O-CG 3.25Å; K844-Q848 PolarHBondContact O-N 3.42Å; K844-Q848 VanDerWaalsContact O-N 3.09Å; K845-Q848 PolarHBondContact O-N 3.1Å; H846-Q848 VanDerWaalsContact C-N 3.32Å; H846-Q848 PolarHBondContact O-N 3.13Å; Q848-Q850 VanDerWaalsContact C-N 3.32Å; Q848-Q850 PolarHBondContact O-N 2.91Å; Q848-E851 PolarHBondContact O-N 2.94Å; Q848-I852 VanDerWaalsContact O-CG1 3.28Å; Q848-I852 WeakPolarHBondContact O-CG1 3.15Å; Q848-I852 PolarHBondContact O-N 3.04Å
849E93.4Very high90.4Very high8 Ų839.5 Ų39.54%0.03721%0.208CC..Hα-helixtrans-61.3-39.7173.4-179.4-174.4-129.700111.7G104 S349 K845 H846 V847 I852 W853 F858G104-E849 WeakPolarHBondContact CA-OE1 3.43Å; G104-E849 PolarHBondContact N-OE1 3.04Å; S349-E849 VanDerWaalsContact CB-OE2 3.27Å; S349-E849 WeakPolarHBondContact CB-OE2 3.48Å; S349-E849 PolarHBondContact OG-OE1 3.14Å; S349-E849 PolarHBondContact OG-OE2 3.43Å; K845-E849 WeakPolarHBondContact O-CB 3.49Å; K845-E849 PolarHBondContact O-N 2.96Å; H846-E849 IonicContact CE1-OE2 2.64Å; H846-E849 IonicContact ND1-OE2 2.75Å; H846-E849 PolarHBondContact ND1-OE2 2.99Å; H846-E849 WeakPolarHBondContact O-CB 3.41Å; H846-E849 PolarHBondContact O-N 2.8Å; V847-E849 PolarHBondContact O-N 3.29Å; E849-I852 PolarHBondContact O-N 3.05Å; E849-W853 PolarHBondContact O-N 3.43Å; E849-F858 HydrophobicContact CG-CZ 4.26Å
850Q92.3Very high89.1Confident1 Ų146.8 Ų46.81%0.00524%0.242CC..Hα-helixtrans-67.8-34.8174.3-67.9-179.741.700113.1I508 H509 T510 H846 V847 Q848 G854 F858I508-Q850 PolarHBondContact O-NE2 3.22Å; H509-Q850 VanDerWaalsContact CA-OE1 3.26Å; T510-Q850 HydrophobicContact CG2-CB 3.77Å; H846-Q850 PolarHBondContact NE2-NE2 2.81Å; H846-Q850 WeakPolarHBondContact O-CG 3.43Å; H846-Q850 PolarHBondContact O-N 3Å; V847-Q850 WeakPolarHBondContact O-CB 3.07Å; V847-Q850 PolarHBondContact O-N 3.19Å; Q848-Q850 VanDerWaalsContact C-N 3.32Å; Q848-Q850 PolarHBondContact O-N 2.91Å; Q850-G854 CarbonylContact O-C 3.58Å; Q850-G854 VanDerWaalsContact O-CA 3.23Å; Q850-G854 WeakPolarHBondContact O-CA 3.29Å; Q850-G854 PolarHBondContact O-N 2.94Å; Q850-F858 HydrophobicContact CB-CE2 4.09Å; Q850-F858 HydrophobicContact CB-CZ 4.46Å; Q850-F858 HydrophobicContact CG-CD1 4.39Å; Q850-F858 HydrophobicContact CG-CD2 4.01Å; Q850-F858 HydrophobicContact CG-CE1 4.03Å; Q850-F858 HydrophobicContact CG-CE2 3.62Å; Q850-F858 HydrophobicContact CG-CG 4.38Å; Q850-F858 HydrophobicContact CG-CZ 3.62Å
851E91.5Very high88Confident121 Ų12151.7 Ų51.757%0.56527%0.269SS*.Hα-helixtrans-64.5-40.1172.6-69.1176.1171.800111.9T510 V847 Q848T510-E851 HydrophobicContact CG2-CB 4.47Å; T510-E851 HydrophobicContact CG2-CG 3.72Å; V847-E851 PolarHBondContact O-N 3.16Å; Q848-E851 PolarHBondContact O-N 2.94Å
852I93.5Very high87.1Confident86 Ų8650.4 Ų50.444%0.44126%0.259SS..Hα-helixtrans-71.4-51.3-178.1-69.2164.9000111.7L277 Q848 E849L277-I852 HydrophobicContact CD2-CG2 4.02Å; Q848-I852 VanDerWaalsContact O-CG1 3.28Å; Q848-I852 WeakPolarHBondContact O-CG1 3.15Å; Q848-I852 PolarHBondContact O-N 3.04Å; E849-I852 PolarHBondContact O-N 3.05Å
853W91.6Very high86.1Confident19 Ų1956 Ų567%0.07229%0.288CS..Hα-helixtrans-82.3-16-177.7-70.1107.3000113.6A106 F212 L277 A345 P347 E849 A857 F858A106-W853 HydrophobicContact CB-CD2 4.36Å; A106-W853 HydrophobicContact CB-CH2 3.65Å; A106-W853 HydrophobicContact CB-CZ2 3.43Å; A106-W853 VanDerWaalsContact CB-CZ2 3.43Å; A106-W853 HydrophobicContact CB-CZ3 4.2Å; F212-W853 HydrophobicContact CD1-CH2 4.2Å; F212-W853 HydrophobicContact CD1-CZ3 4.44Å; F212-W853 HydrophobicContact CE1-CH2 4.26Å; F212-W853 HydrophobicContact CE1-CZ3 4.05Å; L277-W853 HydrophobicContact CD1-CD2 4.26Å; L277-W853 HydrophobicContact CD1-CE3 3.44Å; L277-W853 VanDerWaalsContact CD1-CE3 3.44Å; L277-W853 HydrophobicContact CD1-CH2 4.44Å; L277-W853 HydrophobicContact CD1-CZ3 3.54Å; A345-W853 HydrophobicContact CB-CE3 3.53Å; A345-W853 HydrophobicContact CB-CH2 4.14Å; A345-W853 HydrophobicContact CB-CZ3 3.26Å; P347-W853 HydrophobicContact CG-CB 3.81Å; P347-W853 HydrophobicContact CG-CD2 4.14Å; P347-W853 HydrophobicContact CG-CG 3.56Å; E849-W853 PolarHBondContact O-N 3.43Å; W853-A857 HydrophobicContact CB-CB 3.9Å; W853-A857 WeakPolarHBondContact O-CB 3.39Å; W853-F858 HydrophobicContact CB-CE2 4.23Å
854G88.9Confident85.3Confident28 Ų2856.4 Ų56.429%0.28929%0.29SS..  trans78151-173.900000112.8Q850 E856 A857Q850-G854 CarbonylContact O-C 3.58Å; Q850-G854 VanDerWaalsContact O-CA 3.23Å; Q850-G854 WeakPolarHBondContact O-CA 3.29Å; Q850-G854 PolarHBondContact O-N 2.94Å; G854-E856 PolarHBondContact O-N 3.46Å; G854-A857 WeakPolarHBondContact O-CB 3.27Å; G854-A857 PolarHBondContact O-N 3.05Å; G854-A857 VanDerWaalsContact O-N 3.13Å
855S82.6Confident84.1Confident68 Ų6855.9 Ų55.948%0.47629%0.293SS..G310 helixtrans-64.9-20.6-175.755.20000114.7A857 F858S855-A857 VanDerWaalsContact C-N 3.34Å; S855-F858 PolarHBondContact O-N 3.06Å
856E83.5Confident82.7Confident110 Ų11060.5 Ų60.551%0.51431%0.313SS..G310 helixtrans-67.6-34.2174.6-169.5177.7169.400111.9N282 G854 F858 S859 I862N282-E856 WeakPolarHBondContact CB-OE1 3.47Å; G854-E856 PolarHBondContact O-N 3.46Å; E856-F858 PolarHBondContact O-N 3Å; E856-F858 VanDerWaalsContact O-N 3.1Å; E856-S859 WeakPolarHBondContact O-CB 3.47Å; E856-S859 PolarHBondContact O-N 3.26Å; E856-I862 WeakPolarHBondContact O-CD1 3.37Å
857A88.3Confident80.8Confident6 Ų664 Ų645%0.0534%0.338CS..G310 helixtrans-63.8-17.5-179.400000113.8P347 W853 G854 S855P347-A857 HydrophobicContact CG-CB 4.33Å; W853-A857 HydrophobicContact CB-CB 3.9Å; W853-A857 WeakPolarHBondContact O-CB 3.39Å; G854-A857 WeakPolarHBondContact O-CB 3.27Å; G854-A857 PolarHBondContact O-N 3.05Å; G854-A857 VanDerWaalsContact O-N 3.13Å; S855-A857 VanDerWaalsContact C-N 3.34Å
858F88Confident78.3Confident3 Ų371.6 Ų71.61%0.01337%0.37CS..G310 helixtrans-96.13176.2-70-90.9000112.7P347 S349 A350 D382 R383 H846 E849 Q850 W853 S855 E856 E860P347-F858 HydrophobicContact CB-CE1 4.02Å; P347-F858 HydrophobicContact CB-CE2 4.34Å; P347-F858 HydrophobicContact CB-CZ 3.7Å; P347-F858 HydrophobicContact CG-CD2 4.5Å; P347-F858 HydrophobicContact CG-CE1 4.27Å; P347-F858 HydrophobicContact CG-CE2 3.74Å; P347-F858 HydrophobicContact CG-CZ 3.61Å; S349-F858 WeakPolarHBondContact OG-CE1 3.34Å; A350-F858 HydrophobicContact CB-CD1 3.81Å; A350-F858 HydrophobicContact CB-CE1 4.25Å; A350-F858 HydrophobicContact CB-CG 4.49Å; D382-F858 VanDerWaalsContact O-CD1 3.24Å; D382-F858 WeakPolarHBondContact O-CD1 3.19Å; D382-F858 WeakPolarHBondContact OD1-CB 3.45Å; R383-F858 HydrophobicContact CG-CB 3.82Å; R383-F858 HydrophobicContact CG-CD1 4.15Å; R383-F858 HydrophobicContact CG-CG 4.06Å; H846-F858 AromaticContact CE1-CE1 3.79Å; E849-F858 HydrophobicContact CG-CZ 4.26Å; Q850-F858 HydrophobicContact CB-CE2 4.09Å; Q850-F858 HydrophobicContact CB-CZ 4.46Å; Q850-F858 HydrophobicContact CG-CD1 4.39Å; Q850-F858 HydrophobicContact CG-CD2 4.01Å; Q850-F858 HydrophobicContact CG-CE1 4.03Å; Q850-F858 HydrophobicContact CG-CE2 3.62Å; Q850-F858 HydrophobicContact CG-CG 4.38Å; Q850-F858 HydrophobicContact CG-CZ 3.62Å; W853-F858 HydrophobicContact CB-CE2 4.23Å; S855-F858 PolarHBondContact O-N 3.06Å; E856-F858 PolarHBondContact O-N 3Å; E856-F858 VanDerWaalsContact O-N 3.1Å; F858-E860 PolarHBondContact O-N 2.66Å
859S78.2Confident75.6Confident34 Ų3471.7 Ų71.724%0.23838%0.382CS..  trans-69.3130.8177.6-169.80000111.7E856 N861 I862E856-S859 WeakPolarHBondContact O-CB 3.47Å; E856-S859 PolarHBondContact O-N 3.26Å; S859-N861 PolarHBondContact O-N 3.21Å; S859-N861 PolarHBondContact OG-N 3.2Å; S859-N861 PolarHBondContact OG-ND2 3.29Å; S859-I862 PolarHBondContact O-N 2.83Å
860E67.5Low72.8Confident153 Ų15376.9 Ų76.972%0.71541%0.41SS*.THydrogen-bonded Turntrans-54.2-25.4169.9-63.1-172.114800112.8F858 I862F858-E860 PolarHBondContact O-N 2.66Å; E860-I862 PolarHBondContact O-N 3.49Å
861N68.7Low70.2Confident124 Ų12479.7 Ų79.766%0.66343%0.43SS*.THydrogen-bonded Turntrans-70.5-8.7177.7-63-49.3000113.7S859 I863S859-N861 PolarHBondContact O-N 3.21Å; S859-N861 PolarHBondContact OG-N 3.2Å; S859-N861 PolarHBondContact OG-ND2 3.29Å; N861-I863 PolarHBondContact O-N 3.35Å; N861-I863 VanDerWaalsContact O-N 3.13Å
862I72.5Confident67.7Low7 Ų779.2 Ų79.24%0.03643%0.43CS..  trans-79.197.4173.9-66.7177.8000109.7I344 Q346 E856 S859 E860 I864I344-I862 HydrophobicContact CG2-CD1 3.88Å; I344-I862 HydrophobicContact CG2-CG1 4.15Å; I344-I862 HydrophobicContact CG2-CG2 3.58Å; Q346-I862 HydrophobicContact CB-CG2 4.02Å; Q346-I862 HydrophobicContact CG-CG2 4.09Å; Q346-I862 PolarHBondContact NE2-O 3.01Å; Q346-I862 PolarHBondContact OE1-O 3.03Å; E856-I862 WeakPolarHBondContact O-CD1 3.37Å; S859-I862 PolarHBondContact O-N 2.83Å; E860-I862 PolarHBondContact O-N 3.49Å; I862-I864 HydrophobicContact CG2-CD1 4.45Å; I862-I864 HydrophobicContact CG2-CG1 3.91Å; I862-I864 PolarHBondContact O-N 3.47Å
863I72.3Confident65Low144 Ų14484.2 Ų84.274%0.73844%0.443SS*.  trans-94.881.6173.7-52.1177.2000109.2N861N861-I863 PolarHBondContact O-N 3.35Å; N861-I863 VanDerWaalsContact O-N 3.13Å
864I77.5Confident62Low8 Ų889.4 Ų89.44%0.04147%0.473CS..PPolyproline II helixtrans-70.6126.3161.5-61.9-176.1000108.2Q107 C109 T204 Q346 I862 K866Q107-I864 HydrophobicContact CB-CD1 4.18Å; Q107-I864 HydrophobicContact CG-CD1 4.03Å; Q107-I864 HydrophobicContact CG-CG2 3.95Å; Q107-I864 WeakPolarHBondContact O-CD1 3.46Å; C109-I864 HydrophobicContact CB-CB 4.4Å; C109-I864 HydrophobicContact CB-CD1 3.92Å; C109-I864 HydrophobicContact CB-CG1 3.86Å; C109-I864 HydrophobicContact CB-CG2 3.83Å; T204-I864 HydrophobicContact CG2-CG2 3.69Å; Q346-I864 HydrophobicContact CB-CD1 3.53Å; Q346-I864 HydrophobicContact CB-CG1 4.29Å; I862-I864 HydrophobicContact CG2-CD1 4.45Å; I862-I864 HydrophobicContact CG2-CG1 3.91Å; I862-I864 PolarHBondContact O-N 3.47Å; I864-K866 PolarHBondContact O-N 2.9Å
865P67Low59.4Low46 Ų4693.4 Ų93.430%0.29949%0.492SS..PPolyproline II helixtrans-56.7128.9174.5-19.429.6000110.2K202 S867K202-P865 HydrophobicContact CB-CG 4.49Å; K202-P865 HydrophobicContact CD-CG 3.7Å; P865-S867 PolarHBondContact O-N 3.42Å
866K60.8Low57Low186 Ų18692.8 Ų92.881%0.80949%0.487SS*.PPolyproline II helixtrans-54.5138.8164.1-68.7-178.9179.3176.80107.6I864 K868I864-K866 PolarHBondContact O-N 2.9Å; K866-K868 PolarHBondContact O-N 2.7Å
867S52.7Low54.6Low77 Ų7791 Ų9154%0.53849%0.491SS..  trans-6950.3-171.654.70000114.9P865 S869P865-S867 PolarHBondContact O-N 3.42Å; S867-S869 PolarHBondContact O-N 2.78Å
868K41.1Very low52Low169 Ų169101.4 Ų101.474%0.73553%0.529SS*.  trans-60131.5151.6-68.1-172174.8-175.20106.5K866 N870K866-K868 PolarHBondContact O-N 2.7Å; K868-N870 PolarHBondContact O-N 2.86Å
869S35.9Very low49.2Very low107 Ų107113.1 Ų113.175%0.74857%0.573SS**  trans-72.465.2-179.9590000111S867 S871S867-S869 PolarHBondContact O-N 2.78Å; S869-S871 VanDerWaalsContact C-N 3.26Å; S869-S871 PolarHBondContact O-N 3.12Å
870N34.2Very low46.8Very low117 Ų117115 Ų11563%0.62659%0.587SS**  trans-95.633.5177.3-68.820.3000110.7K868 I872K868-N870 PolarHBondContact O-N 2.86Å; N870-I872 PolarHBondContact O-N 3.49Å
871S38.9Very low45.1Very low61 Ų61113.6 Ų113.643%0.42759%0.588SS.*SBendtrans-55118.1135.8161.50000104.7S869 R873S869-S871 VanDerWaalsContact C-N 3.26Å; S869-S871 PolarHBondContact O-N 3.12Å; S871-R873 PolarHBondContact O-N 2.86Å
872I37Very low43.1Very low111 Ų111112.2 Ų112.257%0.56959%0.594SS**  trans-67.791.4176.5-63.5176.1000106D201 N870 N874D201-I872 PolarHBondContact OD1-N 2.82Å; N870-I872 PolarHBondContact O-N 3.49Å; I872-N874 HydrophobicContact CG2-CB 3.77Å; I872-N874 WeakPolarHBondContact CG2-ND2 3.32Å; I872-N874 PolarHBondContact O-N 3.1Å
873R36.9Very low41.1Very low190 Ų190118.4 Ų118.472%0.71763%0.626SS**  trans-72.749.4168.9-73.5-170.8177.5172.13.1110.6S871 T875S871-R873 PolarHBondContact O-N 2.86Å; R873-T875 PolarHBondContact O-N 3.31Å; R873-T875 VanDerWaalsContact O-N 3.12Å
874N29.7Very low38.9Very low129 Ų129116.2 Ų116.269%0.6962%0.621SS**  trans-71.590.5151.7-71.91.8000105I872I872-N874 HydrophobicContact CG2-CB 3.77Å; I872-N874 WeakPolarHBondContact CG2-ND2 3.32Å; I872-N874 PolarHBondContact O-N 3.1Å
875T33.1Very low36.7Very low111 Ų111121.4 Ų121.468%0.68166%0.658SS**SBend81.678.99056.60000111.6R873R873-T875 PolarHBondContact O-N 3.31Å; R873-T875 VanDerWaalsContact O-N 3.12Å
876S32.4Very low34.7Very low55 Ų55125.2 Ų125.239%0.38568%0.676SS.*SBendtrans-134.9-57.4141.9-163.70000109.1R878S876-R878 PolarHBondContact O-N 2.91Å
877A34.4Very low33.3Very low72 Ų72125 Ų12560%0.59568%0.682SS**THydrogen-bonded Turntrans-71.626.1179.900000117.6
878R34.1Very low32Very low226 Ų226125.3 Ų125.385%0.85368%0.684SS**THydrogen-bonded Turntrans-136.510.4176.7-136.3-175.7-171.6-160.2-0.9116.2S876S876-R878 PolarHBondContact O-N 2.91Å
879R28.3Very low31.4Very low248 Ų248124.8 Ų124.894%0.93669%0.687SS**SBendtrans-101.33.6172.2-104.5-171.3178.2-145.6-0.3114.8
880S27.4Very low31.1Very low74 Ų74128.2 Ų128.252%0.51770%0.696SS.*SBendtrans-142.8142.7173.144.60000110.4
881V31.7Very low31Very low123 Ų123132.4 Ų132.475%0.74573%0.726SS**  trans64.678.1-173.7-161.20000114.1I883V881-I883 HydrophobicContact CG1-CG1 3.9Å; V881-I883 PolarHBondContact O-N 3.44Å
882A26.8Very low30.6Very low96 Ų96136 Ų13679%0.79374%0.741SS**  trans-56122.4134.900000106.9P884A882-P884 VanDerWaalsContact O-CD 3.31Å; A882-P884 WeakPolarHBondContact O-CD 3.03Å
883I31.3Very low30.2Very low136 Ų136137.3 Ų137.370%0.69775%0.75SS**  trans-79.7113.8167-61.4173.9000104.7V881 S885V881-I883 HydrophobicContact CG1-CG1 3.9Å; V881-I883 PolarHBondContact O-N 3.44Å; I883-S885 PolarHBondContact O-N 3.32Å
884P26.9Very low29.9Very low99 Ų99134.3 Ų134.364%0.64375%0.752SS**  trans-62124.8171.6-1631.1000107.3A882 D886A882-P884 VanDerWaalsContact O-CD 3.31Å; A882-P884 WeakPolarHBondContact O-CD 3.03Å; P884-D886 PolarHBondContact O-N 2.69Å
885S29.4Very low29.9Very low117 Ų117134.6 Ų134.682%0.81876%0.756SS**  trans-80.841.3175.552.80000111.4I883I883-S885 PolarHBondContact O-N 3.32Å
886D26.9Very low29.7Very low125 Ų125136.1 Ų136.167%0.66876%0.761SS**  trans-118.382.5-179.6-69.7-52.1000109.2P884 S888P884-D886 PolarHBondContact O-N 2.69Å; D886-S888 VanDerWaalsContact C-N 3.26Å; D886-S888 PolarHBondContact O-N 3.08Å
887I29.6Very low29.5Very low183 Ų183141.5 Ų141.594%0.93879%0.786SS**  trans-91.776.7155.3-59.5176.8000106.1
888S26.7Very low29.1Very low83 Ų83146.5 Ų146.558%0.5880%0.799SS**  trans-140.3151158.668.10000107.7D886D886-S888 VanDerWaalsContact C-N 3.26Å; D886-S888 PolarHBondContact O-N 3.08Å
889I28.9Very low28.8Very low157 Ų157140.4 Ų140.481%0.80580%0.795SS**  trans72.280.8-176.2-42.7168.2000114.2
890L28.8Very low28.8Very low179 Ų179131.4 Ų131.494%0.93778%0.784SS**  trans-158.576.9130.3-108.2170.9000108.9
891T31.3Very low28.9Very low205 Ų205136.6 Ų136.6100%1.25881%0.808SS**  trans-118015546.50000106.5

Retrieved 891 of 891 residues in 126.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).