A0A061IL24_CRIGR Loading...

Exosome complex component RRP43

AlphaFold DB , UniProt , Accession A0A061IL24, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Exosc8, Length 276 aa.

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

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
1M53.9Low68.6Low226 Ų22689.9 Ų89.9100%1.11353%0.53SS*.  0-46.50-84.7-169.2-86.700112.8A3 G4 F5M1-A3 PolarHBondContact O-N 3.16Å; M1-G4 PolarHBondContact O-N 3.25Å; M1-F5 PolarHBondContact O-N 3.22Å
2A59.9Low69.5Low59 Ų5988.8 Ų88.849%0.48852%0.516SS..Hα-helixtrans-60.1-43.3-178.900000115.1G4 F5 K6 Y13A2-G4 VanDerWaalsContact C-N 3.32Å; A2-G4 PolarHBondContact O-N 3.5Å; A2-F5 PolarHBondContact O-N 2.79Å; A2-K6 PolarHBondContact O-N 3.31Å; A2-Y13 HydrophobicContact CB-CE2 4.36Å
3A62.2Low70.6Confident78 Ų7884.6 Ų84.665%0.64549%0.486SS*.Hα-helixtrans-65.1-32.3-179.300000113.9M1 T7M1-A3 PolarHBondContact O-N 3.16Å; A3-T7 PolarHBondContact O-N 2.98Å; A3-T7 PolarHBondContact O-OG1 3.43Å
4G63.3Low71.3Confident40 Ų4079.1 Ų79.141%0.41245%0.454SS..Hα-helixtrans-73.2-33.7175.300000112.6M1 A2 T7 V8M1-G4 PolarHBondContact O-N 3.25Å; A2-G4 VanDerWaalsContact C-N 3.32Å; A2-G4 PolarHBondContact O-N 3.5Å; G4-T7 WeakPolarHBondContact CA-OG1 3.34Å; G4-T7 PolarHBondContact O-N 3.31Å; G4-T7 PolarHBondContact O-OG1 2.97Å; G4-V8 VanDerWaalsContact O-CG2 3.26Å; G4-V8 WeakPolarHBondContact O-CG2 3.29Å; G4-V8 PolarHBondContact O-N 3.13Å; G4-V8 VanDerWaalsContact O-N 3.13Å
5F63.9Low72Confident70 Ų7080.5 Ų80.531%0.30745%0.449SS..Hα-helixtrans-70.7-37.3174.5-163.6-95000111.5M1 A2 T7 V8 E9 E12 Y13M1-F5 PolarHBondContact O-N 3.22Å; A2-F5 PolarHBondContact O-N 2.79Å; F5-T7 VanDerWaalsContact C-N 3.26Å; F5-T7 PolarHBondContact O-N 3.01Å; F5-V8 PolarHBondContact O-N 3.25Å; F5-E9 CarbonylContact O-C 3.52Å; F5-E9 PolarHBondContact O-N 3.4Å; F5-E12 HydrophobicContact CE1-CB 4.05Å; F5-E12 HydrophobicContact CZ-CB 4.16Å; F5-Y13 AromaticContact CD1-CD2 3.94Å; F5-Y13 HydrophobicContact CD1-CD2 3.94Å; F5-Y13 HydrophobicContact CD1-CG 4.44Å
6K68.5Low72.7Confident65 Ų6584.2 Ų84.228%0.28345%0.453SS..Hα-helixtrans-58-37173-174.6-178.6178.8-175.20112.5A2 P10 Y13 E213A2-K6 PolarHBondContact O-N 3.31Å; K6-P10 WeakPolarHBondContact O-CA 3.39Å; K6-P10 WeakPolarHBondContact O-CB 3.41Å; K6-Y13 HydrophobicContact CB-CD1 4.2Å; K6-Y13 HydrophobicContact CB-CD2 4.36Å; K6-Y13 HydrophobicContact CB-CE1 4.32Å; K6-Y13 HydrophobicContact CB-CE2 4.43Å; K6-Y13 HydrophobicContact CB-CG 4.22Å; K6-Y13 HydrophobicContact CD-CE1 4.28Å; K6-Y13 HydrophobicContact CG-CD1 4.08Å; K6-Y13 HydrophobicContact CG-CE1 4.22Å; K6-E213 WeakPolarHBondContact CE-OE1 3.46Å; K6-E213 WeakPolarHBondContact CE-OE2 3.45Å; K6-E213 IonicContact NZ-OE1 2.77Å; K6-E213 PolarHBondContact NZ-OE1 3.14Å; K6-E213 IonicContact NZ-OE2 3.09Å; K6-E213 PolarHBondContact NZ-OE2 2.74Å
7T70.7Confident73.3Confident115 Ų11582.6 Ų82.671%0.70644%0.441SS*.Hα-helixtrans-81.5-34.9-178.314.30000113.2A3 G4 F5A3-T7 PolarHBondContact O-N 2.98Å; A3-T7 PolarHBondContact O-OG1 3.43Å; G4-T7 WeakPolarHBondContact CA-OG1 3.34Å; G4-T7 PolarHBondContact O-N 3.31Å; G4-T7 PolarHBondContact O-OG1 2.97Å; F5-T7 VanDerWaalsContact C-N 3.26Å; F5-T7 PolarHBondContact O-N 3.01Å
8V74.2Confident73.7Confident128 Ų12878.2 Ų78.278%0.77642%0.418SS*.Hα-helixtrans-83.1-38.9-176.7178.20000111.8G4 F5G4-V8 VanDerWaalsContact O-CG2 3.26Å; G4-V8 WeakPolarHBondContact O-CG2 3.29Å; G4-V8 PolarHBondContact O-N 3.13Å; G4-V8 VanDerWaalsContact O-N 3.13Å; F5-V8 PolarHBondContact O-N 3.25Å
9E79.6Confident74.2Confident82 Ų8282.9 Ų82.938%0.38343%0.434SS..  trans-142.875.5-179.5-158.9171.872.700111.4F5 L11 E12 Y13F5-E9 CarbonylContact O-C 3.52Å; F5-E9 PolarHBondContact O-N 3.4Å; E9-L11 VanDerWaalsContact C-N 3.28Å; E9-L11 PolarHBondContact O-N 3.16Å; E9-E12 HydrophobicContact CG-CB 3.98Å; E9-E12 HydrophobicContact CG-CG 4.1Å; E9-E12 PolarHBondContact O-N 3.18Å; E9-E12 WeakPolarHBondContact OE1-CB 3.43Å; E9-E12 WeakPolarHBondContact OE1-CG 3.5Å; E9-Y13 PolarHBondContact O-N 2.98Å
10P79.4Confident74.6Confident44 Ų4486.3 Ų86.329%0.28645%0.448SS..Hα-helixtrans-62.4-35.4-175.322.4-32.4000112.4K6 Y13 Y14 L217K6-P10 WeakPolarHBondContact O-CA 3.39Å; K6-P10 WeakPolarHBondContact O-CB 3.41Å; P10-Y13 PolarHBondContact O-N 3.35Å; P10-Y14 WeakPolarHBondContact O-CD2 3.5Å; P10-Y14 PolarHBondContact O-N 2.95Å; P10-L217 HydrophobicContact CB-CD1 4.11Å; P10-L217 HydrophobicContact CB-CD2 4.12Å; P10-L217 HydrophobicContact CG-CD2 4.11Å
11L79.4Confident74.8Confident82 Ų8286.7 Ų86.743%0.42945%0.451SS..Hα-helixtrans-62.2-48.1-179.2-72.1168.8000112.5E9 Y13 R15 L217E9-L11 VanDerWaalsContact C-N 3.28Å; E9-L11 PolarHBondContact O-N 3.16Å; L11-Y13 VanDerWaalsContact C-N 3.34Å; L11-R15 WeakPolarHBondContact O-CB 3.1Å; L11-R15 VanDerWaalsContact O-CG 3.26Å; L11-R15 WeakPolarHBondContact O-CG 3.39Å; L11-R15 PolarHBondContact O-N 3.15Å; L11-L217 HydrophobicContact CD2-CB 3.86Å; L11-L217 HydrophobicContact CD2-CD2 3.47Å; L11-L217 VanDerWaalsContact CD2-CD2 3.47Å; L11-L217 HydrophobicContact CD2-CG 4.2Å; L11-L217 HydrophobicContact CG-CD2 3.75Å
12E79.6Confident76.1Confident77 Ų7777.8 Ų77.836%0.3641%0.41SS..Hα-helixtrans-67.7-37.4177.4-83.5-152.4178.500112.2F5 E9 R15 R16F5-E12 HydrophobicContact CE1-CB 4.05Å; F5-E12 HydrophobicContact CZ-CB 4.16Å; E9-E12 HydrophobicContact CG-CB 3.98Å; E9-E12 HydrophobicContact CG-CG 4.1Å; E9-E12 PolarHBondContact O-N 3.18Å; E9-E12 WeakPolarHBondContact OE1-CB 3.43Å; E9-E12 WeakPolarHBondContact OE1-CG 3.5Å; E12-R15 PolarHBondContact O-N 3.35Å; E12-R16 WeakPolarHBondContact O-CG 3.35Å; E12-R16 PolarHBondContact O-N 2.86Å; E12-R16 IonicContact OE2-CZ 3.2Å; E12-R16 IonicContact OE2-NH2 3.07Å; E12-R16 PolarHBondContact OE2-NH2 2.82Å; E12-R16 VanDerWaalsContact OE2-NH2 3.09Å
13Y82.8Confident77.1Confident34 Ų3475.2 Ų75.213%0.13339%0.388CS..Hα-helixtrans-56.8-57.4175.7-176.8-97.1000110A2 F5 K6 E9 P10 L11 R15 R16 F17 P24A2-Y13 HydrophobicContact CB-CE2 4.36Å; F5-Y13 AromaticContact CD1-CD2 3.94Å; F5-Y13 HydrophobicContact CD1-CD2 3.94Å; F5-Y13 HydrophobicContact CD1-CG 4.44Å; K6-Y13 HydrophobicContact CB-CD1 4.2Å; K6-Y13 HydrophobicContact CB-CD2 4.36Å; K6-Y13 HydrophobicContact CB-CE1 4.32Å; K6-Y13 HydrophobicContact CB-CE2 4.43Å; K6-Y13 HydrophobicContact CB-CG 4.22Å; K6-Y13 HydrophobicContact CD-CE1 4.28Å; K6-Y13 HydrophobicContact CG-CD1 4.08Å; K6-Y13 HydrophobicContact CG-CE1 4.22Å; E9-Y13 PolarHBondContact O-N 2.98Å; P10-Y13 PolarHBondContact O-N 3.35Å; L11-Y13 VanDerWaalsContact C-N 3.34Å; Y13-R15 VanDerWaalsContact C-N 3.34Å; Y13-R15 PolarHBondContact O-N 3.08Å; Y13-R16 PolarHBondContact O-N 3.37Å; Y13-R16 VanDerWaalsContact O-N 3.12Å; Y13-F17 HydrophobicContact CD1-CD2 4.05Å; Y13-F17 AromaticContact CD1-CE2 3.92Å; Y13-F17 HydrophobicContact CD1-CE2 3.92Å; Y13-F17 AromaticContact CD2-CE2 3.8Å; Y13-F17 HydrophobicContact CD2-CE2 3.8Å; Y13-F17 AromaticContact CE1-CD2 3.83Å; Y13-F17 HydrophobicContact CE1-CD2 3.83Å; Y13-F17 AromaticContact CE1-CE2 3.45Å; Y13-F17 HydrophobicContact CE1-CE2 3.45Å; Y13-F17 VanDerWaalsContact CE1-CE2 3.45Å; Y13-F17 HydrophobicContact CE1-CZ 4.31Å; Y13-F17 HydrophobicContact CE2-CD2 4.4Å; Y13-F17 AromaticContact CE2-CE2 3.37Å; Y13-F17 HydrophobicContact CE2-CE2 3.37Å; Y13-F17 AromaticContact CE2-CZ 3.99Å; Y13-F17 HydrophobicContact CE2-CZ 3.99Å; Y13-F17 HydrophobicContact CG-CD2 4.41Å; Y13-F17 HydrophobicContact CG-CE2 4.08Å; Y13-F17 AromaticContact CZ-CE2 3.16Å; Y13-F17 AromaticContact CZ-CZ 3.7Å; Y13-F17 WeakPolarHBondContact O-CD2 3.32Å; Y13-F17 PolarHBondContact O-N 2.94Å; Y13-F17 WeakPolarHBondContact OH-CE2 3.48Å; Y13-F17 WeakPolarHBondContact OH-CZ 3.22Å; Y13-P24 HydrophobicContact CE1-CB 3.93Å
14Y81.1Confident77.8Confident8 Ų873.6 Ų73.63%0.03137%0.371CS..Hα-helixtrans-60.7-40.7179.5-87.3-91.9000112.2P10 R16 F17 L18 P24 E213 E214 L217P10-Y14 WeakPolarHBondContact O-CD2 3.5Å; P10-Y14 PolarHBondContact O-N 2.95Å; Y14-R16 VanDerWaalsContact C-N 3.28Å; Y14-R16 PolarHBondContact O-N 3.1Å; Y14-F17 PolarHBondContact O-N 3.14Å; Y14-L18 WeakPolarHBondContact O-CB 2.99Å; Y14-L18 WeakPolarHBondContact O-CG 3.43Å; Y14-L18 PolarHBondContact O-N 2.94Å; Y14-P24 HydrophobicContact CD1-CG 3.9Å; Y14-P24 HydrophobicContact CE1-CG 3.32Å; Y14-E213 HydrophobicContact CE2-CB 4.48Å; Y14-E213 PolarHBondContact OH-OE2 3.16Å; Y14-E214 HydrophobicContact CD1-CG 3.86Å; Y14-E214 HydrophobicContact CE1-CG 3.35Å; Y14-L217 HydrophobicContact CD2-CD1 3.49Å; Y14-L217 VanDerWaalsContact CD2-CD1 3.49Å; Y14-L217 HydrophobicContact CE2-CD1 3.79Å; Y14-L217 HydrophobicContact CG-CD1 4.02Å
15R81.9Confident78.4Confident100 Ų10076.3 Ų76.338%0.37738%0.376SS..Hα-helixtrans-59-35.1175.7-80.8174.8170160.82113.5L11 E12 Y13 K19 D202L11-R15 WeakPolarHBondContact O-CB 3.1Å; L11-R15 VanDerWaalsContact O-CG 3.26Å; L11-R15 WeakPolarHBondContact O-CG 3.39Å; L11-R15 PolarHBondContact O-N 3.15Å; E12-R15 PolarHBondContact O-N 3.35Å; Y13-R15 VanDerWaalsContact C-N 3.34Å; Y13-R15 PolarHBondContact O-N 3.08Å; R15-K19 WeakPolarHBondContact O-CB 3.39Å; R15-K19 VanDerWaalsContact O-CG 3.29Å; R15-K19 WeakPolarHBondContact O-CG 3.27Å; R15-K19 PolarHBondContact O-N 2.86Å; R15-D202 IonicContact CZ-OD1 3.26Å; R15-D202 IonicContact CZ-OD2 2.83Å; R15-D202 IonicContact NE-OD1 3.56Å; R15-D202 PolarHBondContact NE-OD1 3.22Å; R15-D202 IonicContact NE-OD2 3.4Å; R15-D202 PolarHBondContact NE-OD2 3.32Å; R15-D202 IonicContact NH2-OD1 2.84Å; R15-D202 PolarHBondContact NH2-OD1 3.4Å; R15-D202 IonicContact NH2-OD2 2.69Å
16R83.5Confident79Confident139 Ų13976.3 Ų76.353%0.52540%0.395SS..Hα-helixtrans-67.1-45.6178-72.9176.9-166.5-166.67.1111.5E12 Y13 Y14 K19 E20E12-R16 WeakPolarHBondContact O-CG 3.35Å; E12-R16 PolarHBondContact O-N 2.86Å; E12-R16 IonicContact OE2-CZ 3.2Å; E12-R16 IonicContact OE2-NH2 3.07Å; E12-R16 PolarHBondContact OE2-NH2 2.82Å; E12-R16 VanDerWaalsContact OE2-NH2 3.09Å; Y13-R16 PolarHBondContact O-N 3.37Å; Y13-R16 VanDerWaalsContact O-N 3.12Å; Y14-R16 VanDerWaalsContact C-N 3.28Å; Y14-R16 PolarHBondContact O-N 3.1Å; R16-K19 PolarHBondContact O-N 3.37Å; R16-E20 PolarHBondContact O-N 2.67Å
17F81.8Confident79.6Confident57 Ų5774.2 Ų74.225%0.2539%0.385CS..Hα-helixtrans-64.4-45.1175.6-71.8-80.8000111.4Y13 Y14 K19 E20 N21 C22 P24Y13-F17 HydrophobicContact CD1-CD2 4.05Å; Y13-F17 AromaticContact CD1-CE2 3.92Å; Y13-F17 HydrophobicContact CD1-CE2 3.92Å; Y13-F17 AromaticContact CD2-CE2 3.8Å; Y13-F17 HydrophobicContact CD2-CE2 3.8Å; Y13-F17 AromaticContact CE1-CD2 3.83Å; Y13-F17 HydrophobicContact CE1-CD2 3.83Å; Y13-F17 AromaticContact CE1-CE2 3.45Å; Y13-F17 HydrophobicContact CE1-CE2 3.45Å; Y13-F17 VanDerWaalsContact CE1-CE2 3.45Å; Y13-F17 HydrophobicContact CE1-CZ 4.31Å; Y13-F17 HydrophobicContact CE2-CD2 4.4Å; Y13-F17 AromaticContact CE2-CE2 3.37Å; Y13-F17 HydrophobicContact CE2-CE2 3.37Å; Y13-F17 AromaticContact CE2-CZ 3.99Å; Y13-F17 HydrophobicContact CE2-CZ 3.99Å; Y13-F17 HydrophobicContact CG-CD2 4.41Å; Y13-F17 HydrophobicContact CG-CE2 4.08Å; Y13-F17 AromaticContact CZ-CE2 3.16Å; Y13-F17 AromaticContact CZ-CZ 3.7Å; Y13-F17 WeakPolarHBondContact O-CD2 3.32Å; Y13-F17 PolarHBondContact O-N 2.94Å; Y13-F17 WeakPolarHBondContact OH-CE2 3.48Å; Y13-F17 WeakPolarHBondContact OH-CZ 3.22Å; Y14-F17 PolarHBondContact O-N 3.14Å; F17-K19 VanDerWaalsContact C-N 3.28Å; F17-K19 PolarHBondContact O-N 3.42Å; F17-E20 CarbonylContact O-C 3.59Å; F17-E20 WeakPolarHBondContact O-CA 3.44Å; F17-E20 PolarHBondContact O-N 3.08Å; F17-N21 PolarHBondContact O-N 3.35Å; F17-C22 CarbonylContact C-O 3.58Å; F17-C22 VanDerWaalsContact CB-O 3.3Å; F17-C22 WeakPolarHBondContact CB-O 3.31Å; F17-C22 PolarHBondContact O-N 3.1Å; F17-C22 VanDerWaalsContact O-N 3.12Å; F17-C22 PolarHBondContact O-SG 2.81Å; F17-C22 VanDerWaalsContact O-SG 3.34Å; F17-P24 HydrophobicContact CD2-CB 4.48Å
18L81.3Confident80.2Confident3 Ų375.5 Ų75.52%0.01638%0.384CS..Hα-helixtrans-62.4-33.3179.2-71.4171.6000112.8Y14 E20 N21 L29 F201 L205 I207Y14-L18 WeakPolarHBondContact O-CB 2.99Å; Y14-L18 WeakPolarHBondContact O-CG 3.43Å; Y14-L18 PolarHBondContact O-N 2.94Å; L18-E20 VanDerWaalsContact C-N 3.28Å; L18-E20 PolarHBondContact O-N 2.76Å; L18-N21 PolarHBondContact O-N 3.15Å; L18-N21 VanDerWaalsContact O-N 3.14Å; L18-L29 HydrophobicContact CD2-CD2 3.84Å; L18-F201 HydrophobicContact CD1-CB 4.08Å; L18-F201 HydrophobicContact CD1-CD1 3.88Å; L18-F201 HydrophobicContact CD1-CD2 3.86Å; L18-F201 HydrophobicContact CD1-CE1 4.26Å; L18-F201 HydrophobicContact CD1-CE2 4.24Å; L18-F201 HydrophobicContact CD1-CG 3.66Å; L18-F201 HydrophobicContact CD1-CZ 4.41Å; L18-L205 HydrophobicContact CB-CD1 3.75Å; L18-I207 HydrophobicContact CD2-CG2 3.75Å
19K82.3Confident80.5Confident168 Ų16870.8 Ų70.873%0.7335%0.354SS*.Hα-helixtrans-64.8-30.4172-81.2178-179.2-177.60113.3R15 R16 F17 N21R15-K19 WeakPolarHBondContact O-CB 3.39Å; R15-K19 VanDerWaalsContact O-CG 3.29Å; R15-K19 WeakPolarHBondContact O-CG 3.27Å; R15-K19 PolarHBondContact O-N 2.86Å; R16-K19 PolarHBondContact O-N 3.37Å; F17-K19 VanDerWaalsContact C-N 3.28Å; F17-K19 PolarHBondContact O-N 3.42Å; K19-N21 VanDerWaalsContact C-N 3.26Å
20E82.7Confident80.4Confident150 Ų15068.5 Ų68.570%0.70135%0.353SS*.THydrogen-bonded Turntrans-88.27.5175.8-67.4-175.8174.600112.4R16 F17 L18 C22R16-E20 PolarHBondContact O-N 2.67Å; F17-E20 CarbonylContact O-C 3.59Å; F17-E20 WeakPolarHBondContact O-CA 3.44Å; F17-E20 PolarHBondContact O-N 3.08Å; L18-E20 VanDerWaalsContact C-N 3.28Å; L18-E20 PolarHBondContact O-N 2.76Å; E20-C22 PolarHBondContact O-N 3.3Å
21N79.4Confident80.5Confident96 Ų9670.9 Ų70.951%0.51336%0.36SS..THydrogen-bonded Turntrans56.521.2-174.5-60.6-66.5000114.3F17 L18 K19 L29F17-N21 PolarHBondContact O-N 3.35Å; L18-N21 PolarHBondContact O-N 3.15Å; L18-N21 VanDerWaalsContact O-N 3.14Å; K19-N21 VanDerWaalsContact C-N 3.26Å; N21-L29 HydrophobicContact CB-CD1 4.29Å; N21-L29 WeakPolarHBondContact OD1-CD1 3.28Å
22C80.3Confident80.7Confident39 Ų3968.7 Ų68.726%0.26435%0.347SS..BIsolated β-bridgetrans-110.8149.5175.961.40000109.9F17 E20F17-C22 CarbonylContact C-O 3.58Å; F17-C22 VanDerWaalsContact CB-O 3.3Å; F17-C22 WeakPolarHBondContact CB-O 3.31Å; F17-C22 PolarHBondContact O-N 3.1Å; F17-C22 VanDerWaalsContact O-N 3.12Å; F17-C22 PolarHBondContact O-SG 2.81Å; F17-C22 VanDerWaalsContact O-SG 3.34Å; E20-C22 PolarHBondContact O-N 3.3Å
23R81.4Confident81.1Confident4 Ų466 Ų662%0.01533%0.334CS..  trans-94.8154.5169.5-67.3173.374.8174.20.9109.3D25 G26 R27 E28 V208 D209 E214R23-D25 PolarHBondContact O-N 2.92Å; R23-D25 VanDerWaalsContact O-N 3.08Å; R23-G26 PolarHBondContact O-N 3.13Å; R23-R27 WeakPolarHBondContact CB-O 3.47Å; R23-R27 WeakPolarHBondContact CG-O 3.28Å; R23-R27 PolarHBondContact N-O 2.93Å; R23-E28 WeakPolarHBondContact CD-O 3.48Å; R23-V208 PolarHBondContact NH1-O 3.04Å; R23-D209 PolarHBondContact NH2-O 3.08Å; R23-E214 IonicContact CZ-OE1 3.58Å; R23-E214 IonicContact CZ-OE2 3.98Å; R23-E214 IonicContact NE-OE1 2.76Å; R23-E214 PolarHBondContact NE-OE1 3.44Å; R23-E214 IonicContact NE-OE2 3.26Å; R23-E214 IonicContact NH2-OE1 2.67Å; R23-E214 PolarHBondContact NH2-OE1 2.94Å; R23-E214 IonicContact NH2-OE2 2.61Å; R23-E214 PolarHBondContact NH2-OE2 2.91Å
24P77.3Confident81.2Confident44 Ų4469.8 Ų69.829%0.28636%0.36SS..THydrogen-bonded Turntrans-62.9-14.8174.725-32.9000113.5Y13 Y14 F17 G26Y13-P24 HydrophobicContact CE1-CB 3.93Å; Y14-P24 HydrophobicContact CD1-CG 3.9Å; Y14-P24 HydrophobicContact CE1-CG 3.32Å; F17-P24 HydrophobicContact CD2-CB 4.48Å; P24-G26 VanDerWaalsContact C-N 3.31Å
25D74.4Confident81.5Confident98 Ų9870.6 Ų70.652%0.52437%0.366SS..THydrogen-bonded Turntrans-83.4-4.2173-159.318.1000113R23 R27R23-D25 PolarHBondContact O-N 2.92Å; R23-D25 VanDerWaalsContact O-N 3.08Å; D25-R27 VanDerWaalsContact C-N 3.27Å; D25-R27 PolarHBondContact O-N 3.39Å; D25-R27 IonicContact OD2-CZ 3.89Å; D25-R27 VanDerWaalsContact OD2-CZ 3.26Å; D25-R27 IonicContact OD2-NE 3.77Å; D25-R27 PolarHBondContact OD2-NE 3.44Å; D25-R27 IonicContact OD2-NH2 2.87Å; D25-R27 PolarHBondContact OD2-NH2 3Å
26G77.1Confident81.9Confident69 Ų6969.2 Ų69.271%0.71137%0.369SS*.SBendtrans82.5-3.6-175.900000115R23 P24R23-G26 PolarHBondContact O-N 3.13Å; P24-G26 VanDerWaalsContact C-N 3.31Å
27R82.1Confident82.3Confident21 Ų2163.4 Ų63.48%0.07935%0.349CS..  trans-78.4156.1177.9-72.7-170.9-73.3144.6-6.6113.5R23 D25 E31 R33 D209R23-R27 WeakPolarHBondContact CB-O 3.47Å; R23-R27 WeakPolarHBondContact CG-O 3.28Å; R23-R27 PolarHBondContact N-O 2.93Å; D25-R27 VanDerWaalsContact C-N 3.27Å; D25-R27 PolarHBondContact O-N 3.39Å; D25-R27 IonicContact OD2-CZ 3.89Å; D25-R27 VanDerWaalsContact OD2-CZ 3.26Å; D25-R27 IonicContact OD2-NE 3.77Å; D25-R27 PolarHBondContact OD2-NE 3.44Å; D25-R27 IonicContact OD2-NH2 2.87Å; D25-R27 PolarHBondContact OD2-NH2 3Å; R27-E31 VanDerWaalsContact CA-OE2 3.32Å; R27-E31 WeakPolarHBondContact CA-OE2 3.03Å; R27-E31 HydrophobicContact CB-CB 4.2Å; R27-E31 HydrophobicContact CB-CG 4.49Å; R27-E31 WeakPolarHBondContact CB-OE2 3.3Å; R27-E31 HydrophobicContact CG-CG 4.3Å; R27-E31 PolarHBondContact NH1-O 3.46Å; R27-R33 VanDerWaalsContact NH1-CG 3.31Å; R27-D209 IonicContact NH1-OD2 2.99Å; R27-D209 PolarHBondContact NH1-OD2 2.86Å
28E83.7Confident82.7Confident143 Ų14365 Ų6567%0.66836%0.36SS*.BIsolated β-bridgetrans-76.6166.1169.4-63.8-169.9170.400112.1R23 G30 E31R23-E28 WeakPolarHBondContact CD-O 3.48Å; E28-G30 PolarHBondContact O-N 2.94Å; E28-E31 HydrophobicContact CB-CB 4.32Å; E28-E31 PolarHBondContact N-OE2 2.61Å; E28-E31 VanDerWaalsContact N-OE2 3.15Å; E28-E31 PolarHBondContact O-N 3.14Å
29L79.1Confident83Confident28 Ų2865.9 Ų65.915%0.14736%0.364CS..THydrogen-bonded Turntrans-60.2-28-179.5-61.1174.3000113.3L18 N21 I207 V208L18-L29 HydrophobicContact CD2-CD2 3.84Å; N21-L29 HydrophobicContact CB-CD1 4.29Å; N21-L29 WeakPolarHBondContact OD1-CD1 3.28Å; L29-I207 HydrophobicContact CD2-CG2 3.71Å; L29-V208 WeakPolarHBondContact O-CG2 3.42Å; L29-V208 PolarHBondContact O-N 3.42Å
30G78.5Confident83.1Confident35 Ų3559.4 Ų59.436%0.36135%0.345SS..THydrogen-bonded Turntrans-99.91.6-177.800000115.1E28E28-G30 PolarHBondContact O-N 2.94Å
31E81.3Confident83.1Confident94 Ų9455 Ų5544%0.43933%0.331SS..PPolyproline II helixtrans-92120.1-168-171.4176.9-174.600112.3R27 E28R27-E31 VanDerWaalsContact CA-OE2 3.32Å; R27-E31 WeakPolarHBondContact CA-OE2 3.03Å; R27-E31 HydrophobicContact CB-CB 4.2Å; R27-E31 HydrophobicContact CB-CG 4.49Å; R27-E31 WeakPolarHBondContact CB-OE2 3.3Å; R27-E31 HydrophobicContact CG-CG 4.3Å; R27-E31 PolarHBondContact NH1-O 3.46Å; E28-E31 HydrophobicContact CB-CB 4.32Å; E28-E31 PolarHBondContact N-OE2 2.61Å; E28-E31 VanDerWaalsContact N-OE2 3.15Å; E28-E31 PolarHBondContact O-N 3.14Å
32F83Confident83.4Confident36 Ų3652.9 Ų52.916%0.15832%0.319CS..PPolyproline II helixtrans-77.5148176.7-68-91.7000111.4T196 V208 D209 R258F32-T196 HydrophobicContact CZ-CG2 4.5Å; F32-V208 HydrophobicContact CD1-CG1 4.13Å; F32-V208 HydrophobicContact CD2-CG1 4.39Å; F32-V208 HydrophobicContact CE1-CG1 3.36Å; F32-V208 HydrophobicContact CE2-CG1 3.66Å; F32-V208 HydrophobicContact CZ-CB 4.4Å; F32-V208 HydrophobicContact CZ-CG1 3.09Å; F32-D209 HydrophobicContact CD1-CB 3.87Å; F32-D209 HydrophobicContact CE1-CB 4.37Å; F32-R258 HydrophobicContact CD1-CG 4.18Å; F32-R258 VanDerWaalsContact CD2-CD 3.49Å; F32-R258 HydrophobicContact CD2-CG 4.17Å; F32-R258 HydrophobicContact CE1-CB 4.32Å; F32-R258 HydrophobicContact CE1-CG 3.6Å; F32-R258 HydrophobicContact CE2-CB 3.62Å; F32-R258 VanDerWaalsContact CE2-CD 3.44Å; F32-R258 HydrophobicContact CE2-CG 3.6Å; F32-R258 HydrophobicContact CG-CG 4.42Å; F32-R258 HydrophobicContact CZ-CB 3.48Å; F32-R258 VanDerWaalsContact CZ-CB 3.48Å; F32-R258 HydrophobicContact CZ-CG 3.26Å
33R87.2Confident83.5Confident20 Ų2056.8 Ų56.88%0.07535%0.347CS..PPolyproline II helixtrans-64.1158.4170.2-72.9175.3-118.1-176.312.9111.6R27 T35 D145 D209 P210R27-R33 VanDerWaalsContact NH1-CG 3.31Å; R33-T35 WeakPolarHBondContact O-CG2 3.49Å; R33-T35 PolarHBondContact O-N 2.97Å; R33-T35 VanDerWaalsContact O-N 3.14Å; R33-D145 IonicContact CZ-OD1 2.82Å; R33-D145 PolarHBondContact NH1-O 3.31Å; R33-D145 IonicContact NH1-OD1 3.98Å; R33-D145 PolarHBondContact NH1-OD1 2.92Å; R33-D145 PolarHBondContact NH2-O 3.36Å; R33-D209 VanDerWaalsContact CG-OD2 3.27Å; R33-D209 WeakPolarHBondContact CG-OD2 2.76Å; R33-D209 IonicContact CZ-OD2 2.8Å; R33-D209 PolarHBondContact N-OD2 2.82Å; R33-D209 IonicContact NE-OD2 3.59Å; R33-D209 PolarHBondContact NE-OD2 2.87Å; R33-D209 PolarHBondContact NH2-O 2.74Å; R33-D209 IonicContact NH2-OD1 3.65Å; R33-D209 IonicContact NH2-OD2 3.45Å; R33-P210 PolarHBondContact NH2-O 2.8Å
34T85.6Confident83.7Confident114 Ų11462.3 Ų62.370%0.69938%0.381SS*.PPolyproline II helixtrans-55.5119.8169.451.60000109.9G54T34-G54 PolarHBondContact O-N 2.87Å
35T88.3Confident84.2Confident25 Ų2561 Ų6115%0.15337%0.374CS..EExtended strand (participates in β ladder)trans-103.3121.2178.9530000109.9R33 K52 L53 R258 L265R33-T35 WeakPolarHBondContact O-CG2 3.49Å; R33-T35 PolarHBondContact O-N 2.97Å; R33-T35 VanDerWaalsContact O-N 3.14Å; T35-K52 WeakPolarHBondContact CA-O 3.23Å; T35-L53 HydrophobicContact CG2-CB 4.45Å; T35-L53 HydrophobicContact CG2-CD2 3.85Å; T35-L53 HydrophobicContact CG2-CG 3.71Å; T35-R258 PolarHBondContact OG1-NH2 3.46Å; T35-L265 WeakPolarHBondContact OG1-CD1 3.15Å
36T90.3Very high84.8Confident71 Ų7159 Ų5944%0.43636%0.363SS..EExtended strand (participates in β ladder)trans-118.7136.9177.151.90000109.6V51 K52T36-V51 WeakPolarHBondContact O-CA 3.49Å; T36-K52 PolarHBondContact N-O 2.78Å; T36-K52 PolarHBondContact O-N 2.97Å; T36-K52 WeakPolarHBondContact OG1-CB 2.96Å; T36-K52 PolarHBondContact OG1-O 3.42Å
37V90.8Very high85.4Confident17 Ų1755.7 Ų55.710%0.10333%0.33CS..EExtended strand (participates in β ladder)trans-130.3129.4-176.4-178.50000109.2I39 L50 V51 F154 A158 V269V37-I39 HydrophobicContact CG1-CG1 3.8Å; V37-L50 WeakPolarHBondContact CA-O 3.24Å; V37-V51 HydrophobicContact CG1-CG2 4.19Å; V37-V51 HydrophobicContact CG2-CG1 4.34Å; V37-V51 HydrophobicContact CG2-CG2 4.16Å; V37-F154 HydrophobicContact CG2-CD1 3.95Å; V37-F154 HydrophobicContact CG2-CE1 3.09Å; V37-F154 HydrophobicContact CG2-CZ 3.49Å; V37-F154 VanDerWaalsContact CG2-CZ 3.49Å; V37-A158 HydrophobicContact CG1-CB 3.99Å; V37-V269 HydrophobicContact CB-CG2 4.45Å; V37-V269 HydrophobicContact CG1-CG1 4.49Å
38N90.1Very high85.9Confident90 Ų9054.7 Ų54.748%0.48133%0.326SS..EExtended strand (participates in β ladder)trans-121.699.6172.5-63.8-53.9000108.8S41 A49 L50N38-S41 WeakPolarHBondContact CB-OG 3.48Å; N38-S41 PolarHBondContact O-OG 3.29Å; N38-A49 WeakPolarHBondContact O-CA 3.46Å; N38-L50 HydrophobicContact CB-CB 4.29Å; N38-L50 PolarHBondContact N-O 3.5Å; N38-L50 PolarHBondContact O-N 3.46Å
39I88.8Confident86.4Confident21 Ų2147.9 Ų47.911%0.10829%0.294CS..EExtended strand (participates in β ladder)trans-77.3142.1176.2-54.5-176.6000109V37 A158 N162 V269 I270 M273V37-I39 HydrophobicContact CG1-CG1 3.8Å; I39-A158 HydrophobicContact CD1-CB 4.41Å; I39-A158 HydrophobicContact CG1-CB 4.26Å; I39-N162 HydrophobicContact CG2-CB 3.38Å; I39-N162 VanDerWaalsContact CG2-CG 3.45Å; I39-V269 HydrophobicContact CB-CG1 4.5Å; I39-V269 HydrophobicContact CD1-CB 4.39Å; I39-V269 HydrophobicContact CD1-CG1 3.62Å; I39-V269 HydrophobicContact CG1-CG1 3.73Å; I39-I270 HydrophobicContact CD1-CG1 4.02Å; I39-M273 HydrophobicContact CB-CE 4.2Å; I39-M273 HydrophobicContact CB-SD 3.73Å; I39-M273 HydrophobicContact CG2-CE 4Å; I39-M273 HydrophobicContact CG2-SD 3.6Å; I39-M273 VanDerWaalsContact O-CE 3.23Å; I39-M273 WeakPolarHBondContact O-CE 3.46Å
40G84.3Confident87.1Confident32 Ų3248.6 Ų48.633%0.3330%0.298SS..THydrogen-bonded Turntrans73.528.5177.700000114.4I42 S48 N162G40-I42 PolarHBondContact O-N 2.91Å; G40-S48 WeakPolarHBondContact CA-OG 3.26Å; G40-S48 PolarHBondContact N-O 2.72Å; G40-N162 VanDerWaalsContact CA-ND2 3.27Å; G40-N162 WeakPolarHBondContact CA-ND2 3.21Å; G40-N162 PolarHBondContact N-ND2 2.91Å
41S82.3Confident87.8Confident57 Ų5746.9 Ų46.940%0.39928%0.281SS..  trans-65.1-27.1-179.3-65.70000113.1N38 S48 L50N38-S41 WeakPolarHBondContact CB-OG 3.48Å; N38-S41 PolarHBondContact O-OG 3.29Å; S41-S48 PolarHBondContact N-OG 3.26Å; S41-L50 WeakPolarHBondContact OG-CB 3.41Å
42I86.3Confident88.3Confident53 Ų5346.8 Ų46.827%0.27228%0.279SS..  trans-112.1119.3179.5-55.3168000108.9G40 T44 A45 S48 I59G40-I42 PolarHBondContact O-N 2.91Å; I42-T44 WeakPolarHBondContact CG2-OG1 3.2Å; I42-A45 HydrophobicContact CB-CB 4.24Å; I42-A45 HydrophobicContact CG2-CB 3.93Å; I42-S48 PolarHBondContact N-OG 3.36Å; I42-S48 PolarHBondContact O-OG 2.95Å; I42-S48 VanDerWaalsContact O-OG 3.04Å; I42-I59 HydrophobicContact CD1-CD1 3.64Å; I42-I59 HydrophobicContact CD1-CG1 3.97Å; I42-I59 HydrophobicContact CG1-CD1 3.93Å
43S82.2Confident88.6Confident121 Ų12145.6 Ų45.685%0.84627%0.274SS*.THydrogen-bonded Turntrans-81.1-19.5179.155.50000114.3
44T86Confident88.6Confident119 Ų11945.2 Ų45.273%0.7328%0.277SS*.THydrogen-bonded Turntrans-86-8.1179.8540000113.7I42I42-T44 WeakPolarHBondContact CG2-OG1 3.2Å
45A86.3Confident88.8Confident17 Ų1743.9 Ų43.914%0.1427%0.265CS..SBendtrans-102.4148177.700000109.9I42 G47I42-A45 HydrophobicContact CB-CB 4.24Å; I42-A45 HydrophobicContact CG2-CB 3.93Å; A45-G47 VanDerWaalsContact C-N 3.25Å; A45-G47 WeakPolarHBondContact CB-O 3.48Å; A45-G47 PolarHBondContact O-N 2.73Å
46D87.8Confident88.9Confident55 Ų5542.8 Ų42.829%0.29426%0.258SS..SBendtrans-69.9-27.9179.3-60.1-63.4000111.9I62 A64 V163 Q164D46-I62 PolarHBondContact N-O 3.28Å; D46-A64 PolarHBondContact OD2-N 2.89Å; D46-V163 WeakPolarHBondContact O-CA 3.37Å; D46-Q164 PolarHBondContact O-N 2.89Å; D46-Q164 VanDerWaalsContact O-N 3.12Å
47G89.4Confident89.1Confident1 Ų140.2 Ų40.21%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-143.6145.9167.300000109.9A45 I62A45-G47 VanDerWaalsContact C-N 3.25Å; A45-G47 WeakPolarHBondContact CB-O 3.48Å; A45-G47 PolarHBondContact O-N 2.73Å; G47-I62 PolarHBondContact N-O 3.3Å; G47-I62 PolarHBondContact O-N 3.49Å
48S92.7Very high89.2Confident0 Ų039.4 Ų39.40%024%0.238CC..EExtended strand (participates in β ladder)trans-154.2152.517559.60000111.6G40 S41 I42 C60 N162G40-S48 WeakPolarHBondContact CA-OG 3.26Å; G40-S48 PolarHBondContact N-O 2.72Å; S41-S48 PolarHBondContact N-OG 3.26Å; I42-S48 PolarHBondContact N-OG 3.36Å; I42-S48 PolarHBondContact O-OG 2.95Å; I42-S48 VanDerWaalsContact O-OG 3.04Å; S48-C60 CarbonylContact C-O 3.57Å; S48-C60 WeakPolarHBondContact CA-O 3Å; S48-N162 PolarHBondContact O-ND2 3.33Å
49A93.5Very high89.5Confident0 Ų036.9 Ų36.90%022%0.224CC..EExtended strand (participates in β ladder)trans-150.1142.617000000110.5N38 C60 A158 A159N38-A49 WeakPolarHBondContact O-CA 3.46Å; A49-C60 PolarHBondContact N-O 2.87Å; A49-C60 PolarHBondContact O-N 2.8Å; A49-A158 HydrophobicContact CB-CB 3.56Å; A49-A159 HydrophobicContact CB-CB 3.92Å
50L93.6Very high89.7Confident42 Ų4235.9 Ų35.922%0.2222%0.219CC..EExtended strand (participates in β ladder)trans-113.3122.1170.3176.372000107.5V37 N38 S41 T57 I59 L142V37-L50 WeakPolarHBondContact CA-O 3.24Å; N38-L50 HydrophobicContact CB-CB 4.29Å; N38-L50 PolarHBondContact N-O 3.5Å; N38-L50 PolarHBondContact O-N 3.46Å; S41-L50 WeakPolarHBondContact OG-CB 3.41Å; L50-T57 HydrophobicContact CD1-CG2 3.64Å; L50-T57 HydrophobicContact CG-CG2 4.42Å; L50-I59 HydrophobicContact CD1-CB 3.89Å; L50-I59 HydrophobicContact CD1-CD1 4.34Å; L50-I59 HydrophobicContact CD1-CG1 4.22Å; L50-L142 HydrophobicContact CD1-CD1 4.19Å
51V93.1Very high90.2Very high0 Ų035 Ų350%021%0.209CC..EExtended strand (participates in β ladder)trans-119.8133.4-179.8-179.10000108.7T36 V37 L53 T57 V58 F154 A155T36-V51 WeakPolarHBondContact O-CA 3.49Å; V37-V51 HydrophobicContact CG1-CG2 4.19Å; V37-V51 HydrophobicContact CG2-CG1 4.34Å; V37-V51 HydrophobicContact CG2-CG2 4.16Å; V51-L53 HydrophobicContact CG1-CD1 3.47Å; V51-L53 VanDerWaalsContact CG1-CD1 3.47Å; V51-T57 CarbonylContact O-C 3.56Å; V51-T57 WeakPolarHBondContact O-CA 3.4Å; V51-V58 PolarHBondContact N-O 3.37Å; V51-V58 PolarHBondContact O-N 3.12Å; V51-F154 HydrophobicContact CG1-CD1 3.5Å; V51-F154 HydrophobicContact CG1-CE1 4.18Å; V51-F154 HydrophobicContact CG1-CG 4.4Å; V51-F154 HydrophobicContact CG2-CD1 4.27Å; V51-A155 HydrophobicContact CB-CB 4.08Å; V51-A155 VanDerWaalsContact CG2-CA 3.45Å; V51-A155 HydrophobicContact CG2-CB 3.71Å
52K92.4Very high90.8Very high91 Ų9132.3 Ų32.340%0.39619%0.19SC..EExtended strand (participates in β ladder)trans-126.7116.8175.5175.3171.9-177.6166.80109.9T35 T36 G54 T56 T57T35-K52 WeakPolarHBondContact CA-O 3.23Å; T36-K52 PolarHBondContact N-O 2.78Å; T36-K52 PolarHBondContact O-N 2.97Å; T36-K52 WeakPolarHBondContact OG1-CB 2.96Å; T36-K52 PolarHBondContact OG1-O 3.42Å; K52-G54 WeakPolarHBondContact CE-O 3.48Å; K52-G54 VanDerWaalsContact CG-O 3.26Å; K52-G54 WeakPolarHBondContact CG-O 3.35Å; K52-T56 CarbonylContact C-O 3.57Å; K52-T56 VanDerWaalsContact CA-O 3.3Å; K52-T56 WeakPolarHBondContact CA-O 3.3Å; K52-T57 HydrophobicContact CB-CG2 4.34Å
53L89.8Confident91.1Very high11 Ų1135 Ų356%0.05820%0.2CC..EExtended strand (participates in β ladder)trans-105.898.9173.9-70.491.5000108.2T35 V51 N55 T56 A151T35-L53 HydrophobicContact CG2-CB 4.45Å; T35-L53 HydrophobicContact CG2-CD2 3.85Å; T35-L53 HydrophobicContact CG2-CG 3.71Å; V51-L53 HydrophobicContact CG1-CD1 3.47Å; V51-L53 VanDerWaalsContact CG1-CD1 3.47Å; L53-N55 PolarHBondContact O-N 3.23Å; L53-T56 PolarHBondContact N-O 3.14Å; L53-T56 PolarHBondContact O-N 2.9Å; L53-A151 HydrophobicContact CD1-CB 3.53Å
54G88.1Confident91.5Very high13 Ų1330 Ų3013%0.13417%0.167CC..THydrogen-bonded Turntrans59.5-108.5-170.600000110.8T34 K52T34-G54 PolarHBondContact O-N 2.87Å; K52-G54 WeakPolarHBondContact CE-O 3.48Å; K52-G54 VanDerWaalsContact CG-O 3.26Å; K52-G54 WeakPolarHBondContact CG-O 3.35Å
55N88.2Confident91.6Very high86 Ų8629.2 Ų29.246%0.4616%0.155SC..THydrogen-bonded Turntrans-95.1-29.2176.4-60.2-25.6000112.6L53 T57 D143 D145L53-N55 PolarHBondContact O-N 3.23Å; N55-T57 PolarHBondContact O-N 2.55Å; N55-T57 PolarHBondContact O-OG1 2.94Å; N55-T57 VanDerWaalsContact O-OG1 3.07Å; N55-D143 WeakPolarHBondContact O-CB 3.35Å; N55-D145 HydrophobicContact CB-CB 3.69Å; N55-D145 WeakPolarHBondContact CB-OD2 3.48Å; N55-D145 PolarHBondContact ND2-OD2 3.44Å
56T91.3Very high91.7Very high1 Ų132.2 Ų32.21%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-63.8120.7-180-55.10000109.7K52 L53 D143 D145 G146 A151K52-T56 CarbonylContact C-O 3.57Å; K52-T56 VanDerWaalsContact CA-O 3.3Å; K52-T56 WeakPolarHBondContact CA-O 3.3Å; L53-T56 PolarHBondContact N-O 3.14Å; L53-T56 PolarHBondContact O-N 2.9Å; T56-D143 CarbonylContact C-O 3.47Å; T56-D143 VanDerWaalsContact CA-O 3.26Å; T56-D143 WeakPolarHBondContact CA-O 3.23Å; T56-D145 VanDerWaalsContact OG1-CA 3.32Å; T56-D145 WeakPolarHBondContact OG1-CA 3.39Å; T56-D145 WeakPolarHBondContact OG1-CB 3.39Å; T56-D145 PolarHBondContact OG1-N 3.45Å; T56-D145 PolarHBondContact OG1-O 3.02Å; T56-G146 PolarHBondContact OG1-O 3.25Å; T56-A151 HydrophobicContact CG2-CB 4.23Å
57T93.3Very high91.6Very high18 Ų1831.2 Ų31.211%0.1116%0.164CC..EExtended strand (participates in β ladder)trans-124.8122.7-176.1-54.50000109.3L50 V51 K52 N55 L142 D143L50-T57 HydrophobicContact CD1-CG2 3.64Å; L50-T57 HydrophobicContact CG-CG2 4.42Å; V51-T57 CarbonylContact O-C 3.56Å; V51-T57 WeakPolarHBondContact O-CA 3.4Å; K52-T57 HydrophobicContact CB-CG2 4.34Å; N55-T57 PolarHBondContact O-N 2.55Å; N55-T57 PolarHBondContact O-OG1 2.94Å; N55-T57 VanDerWaalsContact O-OG1 3.07Å; T57-L142 HydrophobicContact CG2-CB 4.35Å; T57-L142 HydrophobicContact CG2-CD1 4.08Å; T57-L142 PolarHBondContact O-N 3.25Å; T57-D143 PolarHBondContact N-O 3.17Å; T57-D143 PolarHBondContact O-N 3.23Å
58V94.5Very high91.5Very high0 Ų034.4 Ų34.40%019%0.19CC..EExtended strand (participates in β ladder)trans-124.4133178.9179.10000109.2V51 L139 C141 I148 A151 A155V51-V58 PolarHBondContact N-O 3.37Å; V51-V58 PolarHBondContact O-N 3.12Å; V58-L139 HydrophobicContact CG1-CB 4.36Å; V58-L139 HydrophobicContact CG1-CD2 4.3Å; V58-C141 HydrophobicContact CG2-CB 4.39Å; V58-I148 HydrophobicContact CG2-CD1 3.58Å; V58-A151 HydrophobicContact CB-CB 4.35Å; V58-A151 HydrophobicContact CG2-CB 3.62Å; V58-A155 HydrophobicContact CB-CB 4.46Å; V58-A155 HydrophobicContact CG1-CB 4.07Å
59I94.8Very high91.2Very high37 Ų3734.9 Ų34.919%0.1919%0.194CC..EExtended strand (participates in β ladder)trans-108.1130.7171.6-165.8163.5000109.2I42 L50 L139 I140 L142I42-I59 HydrophobicContact CD1-CD1 3.64Å; I42-I59 HydrophobicContact CD1-CG1 3.97Å; I42-I59 HydrophobicContact CG1-CD1 3.93Å; L50-I59 HydrophobicContact CD1-CB 3.89Å; L50-I59 HydrophobicContact CD1-CD1 4.34Å; L50-I59 HydrophobicContact CD1-CG1 4.22Å; I59-L139 CarbonylContact O-C 3.53Å; I59-L139 WeakPolarHBondContact O-CA 3.43Å; I59-I140 HydrophobicContact CG2-CB 3.93Å; I59-I140 WeakPolarHBondContact CG2-O 3.41Å; I59-I140 PolarHBondContact N-O 3.2Å; I59-I140 PolarHBondContact O-N 3.5Å; I59-L142 HydrophobicContact CG2-CD2 4.39Å; I59-L142 HydrophobicContact CG2-CG 4.38Å
60C94.8Very high90.6Very high0 Ų037 Ų370%021%0.207CC..EExtended strand (participates in β ladder)trans-111.5125.4171.5-177.90000108.8S48 A49 D138 L139 A155 A159S48-C60 CarbonylContact C-O 3.57Å; S48-C60 WeakPolarHBondContact CA-O 3Å; A49-C60 PolarHBondContact N-O 2.87Å; A49-C60 PolarHBondContact O-N 2.8Å; C60-D138 CarbonylContact C-O 3.6Å; C60-D138 WeakPolarHBondContact CA-O 3.43Å; C60-L139 HydrophobicContact CB-CD2 4.15Å; C60-L139 HydrophobicContact CB-CG 4.01Å; C60-A155 HydrophobicContact CB-CB 3.93Å; C60-A159 HydrophobicContact CB-CB 3.88Å; C60-A159 VanDerWaalsContact SG-CB 3.56Å
61G94.5Very high90.1Very high13 Ų1343.7 Ų43.713%0.13424%0.242CC..EExtended strand (participates in β ladder)trans-116.4129.8170.800000109.5D138G61-D138 PolarHBondContact N-O 3.32Å; G61-D138 PolarHBondContact O-N 3.23Å
62I94.1Very high89.6Confident0 Ų051.5 Ų51.50%028%0.284CS..EExtended strand (participates in β ladder)trans-113.6124.9178.2-55.7-177000108.5D46 G47 L135 Y136 C137 L156 A159 L160 V163D46-I62 PolarHBondContact N-O 3.28Å; G47-I62 PolarHBondContact N-O 3.3Å; G47-I62 PolarHBondContact O-N 3.49Å; I62-L135 HydrophobicContact CG2-CB 4.39Å; I62-L135 HydrophobicContact CG2-CD2 4.49Å; I62-Y136 VanDerWaalsContact CA-O 3.29Å; I62-Y136 WeakPolarHBondContact CA-O 3.4Å; I62-C137 HydrophobicContact CG1-CB 4.32Å; I62-L156 HydrophobicContact CD1-CD1 4.46Å; I62-A159 HydrophobicContact CD1-CB 3.59Å; I62-A159 HydrophobicContact CG1-CB 3.94Å; I62-L160 HydrophobicContact CD1-CB 4.4Å; I62-L160 HydrophobicContact CD1-CD2 3.59Å; I62-L160 HydrophobicContact CD1-CG 3.77Å; I62-V163 HydrophobicContact CB-CG2 3.95Å; I62-V163 HydrophobicContact CD1-CG2 3.69Å; I62-V163 HydrophobicContact CG1-CG2 4.39Å; I62-V163 HydrophobicContact CG2-CG2 3.77Å
63K92.4Very high89.1Confident109 Ų10947.9 Ų47.947%0.47427%0.271SS..EExtended strand (participates in β ladder)trans-118.7136.3173-73.8-166.7175.2-176.40110.3Y136K63-Y136 PolarHBondContact N-O 3Å; K63-Y136 PolarHBondContact O-N 3.47Å
64A90.1Very high88.7Confident18 Ų1850 Ų5015%0.14929%0.285CS..EExtended strand (participates in β ladder)trans-104127.2177.900000110.6D46 W133 V134 L135 L165D46-A64 PolarHBondContact OD2-N 2.89Å; A64-W133 HydrophobicContact CB-CE3 3.61Å; A64-W133 HydrophobicContact CB-CH2 4.35Å; A64-W133 HydrophobicContact CB-CZ3 3.47Å; A64-W133 VanDerWaalsContact CB-CZ3 3.47Å; A64-V134 WeakPolarHBondContact CA-O 3.49Å; A64-L135 HydrophobicContact CB-CD2 3.69Å; A64-L165 HydrophobicContact CB-CD2 3.28Å
65E89.3Confident88.5Confident102 Ų10252.7 Ų52.748%0.47730%0.296SS..EExtended strand (participates in β ladder)trans-125.5161.3174.3-64.7-167.7165.400110.9V134 Y136E65-V134 PolarHBondContact N-O 3.4Å; E65-V134 PolarHBondContact O-N 3.16Å; E65-Y136 HydrophobicContact CB-CD2 4.48Å; E65-Y136 HydrophobicContact CB-CE2 4.05Å; E65-Y136 HydrophobicContact CG-CD2 4.16Å; E65-Y136 HydrophobicContact CG-CE2 4Å; E65-Y136 VanDerWaalsContact OE2-CE2 3.3Å; E65-Y136 WeakPolarHBondContact OE2-CE2 3.42Å
66F88.1Confident88.3Confident80 Ų8054.5 Ų54.535%0.35130%0.297SS..EExtended strand (participates in β ladder)trans-94.4131.8174.5-59.2-66.9000110.4I126 L131 W133 V168 V179F66-I126 HydrophobicContact CD1-CD1 3.66Å; F66-I126 HydrophobicContact CE1-CD1 3.54Å; F66-L131 HydrophobicContact CB-CD2 4.19Å; F66-W133 HydrophobicContact CD1-CD2 4.14Å; F66-W133 AromaticContact CD1-CE3 3.97Å; F66-W133 HydrophobicContact CD1-CE3 3.97Å; F66-W133 HydrophobicContact CD1-CH2 4.26Å; F66-W133 HydrophobicContact CD1-CZ2 4.4Å; F66-W133 HydrophobicContact CD1-CZ3 4.02Å; F66-W133 AromaticContact CE1-CD2 3.79Å; F66-W133 HydrophobicContact CE1-CD2 3.79Å; F66-W133 AromaticContact CE1-CE2 3.54Å; F66-W133 AromaticContact CE1-CE3 3.74Å; F66-W133 HydrophobicContact CE1-CE3 3.74Å; F66-W133 AromaticContact CE1-CH2 3.29Å; F66-W133 HydrophobicContact CE1-CH2 3.29Å; F66-W133 AromaticContact CE1-CZ2 3.31Å; F66-W133 HydrophobicContact CE1-CZ2 3.31Å; F66-W133 AromaticContact CE1-CZ3 3.49Å; F66-W133 HydrophobicContact CE1-CZ3 3.49Å; F66-W133 VanDerWaalsContact CE1-CZ3 3.49Å; F66-W133 HydrophobicContact CE2-CH2 4.07Å; F66-W133 HydrophobicContact CE2-CZ3 4.21Å; F66-W133 HydrophobicContact CZ-CE3 4.32Å; F66-W133 AromaticContact CZ-CH2 3.17Å; F66-W133 HydrophobicContact CZ-CH2 3.17Å; F66-W133 AromaticContact CZ-CZ2 3.55Å; F66-W133 HydrophobicContact CZ-CZ2 3.55Å; F66-W133 AromaticContact CZ-CZ3 3.6Å; F66-W133 HydrophobicContact CZ-CZ3 3.6Å; F66-V168 HydrophobicContact CE1-CB 4.41Å; F66-V168 HydrophobicContact CE1-CG1 4.28Å; F66-V168 HydrophobicContact CE1-CG2 3.68Å; F66-V168 HydrophobicContact CZ-CG1 4.39Å; F66-V168 HydrophobicContact CZ-CG2 3.59Å; F66-V179 HydrophobicContact CE2-CG2 4.18Å; F66-V179 HydrophobicContact CZ-CG2 4.13Å
67A86.7Confident88Confident34 Ų3454.6 Ų54.628%0.28130%0.298SS..EExtended strand (participates in β ladder)trans-140.5164.8168.800000111.6A132 V134A67-A132 PolarHBondContact N-O 3.25Å; A67-A132 PolarHBondContact O-N 2.75Å; A67-A132 VanDerWaalsContact O-O 3.05Å; A67-V134 HydrophobicContact CB-CG2 3.31Å
68A85.6Confident87.6Confident67 Ų6757.8 Ų57.855%0.55431%0.309SS*.PPolyproline II helixtrans-73.4132.1170.200000109.8
69P86.4Confident87.4Confident11 Ų1159.4 Ų59.47%0.07132%0.319CS..PPolyproline II helixtrans-64.9159.4174.328.4-34.1000111.1P74 A132P69-P74 WeakPolarHBondContact CG-O 3.41Å; P69-A132 HydrophobicContact CB-CB 4.07Å; P69-A132 HydrophobicContact CG-CB 4.39Å
70P81.7Confident87.3Confident44 Ų4460.6 Ų60.629%0.28633%0.328SS..PPolyproline II helixtrans-67.8148.118026.6-25.4000110.5D72 A73 Y78P70-D72 PolarHBondContact O-N 2.84Å; P70-A73 WeakPolarHBondContact CD-O 3.49Å; P70-A73 HydrophobicContact CG-CB 4.38Å; P70-A73 CarbonylContact O-C 3.58Å; P70-A73 VanDerWaalsContact O-C 3.23Å; P70-A73 PolarHBondContact O-N 3.33Å; P70-A73 VanDerWaalsContact O-N 3.16Å; P70-Y78 WeakPolarHBondContact CB-OH 3.49Å; P70-Y78 WeakPolarHBondContact CD-OH 3.4Å; P70-Y78 HydrophobicContact CG-CE1 4.46Å; P70-Y78 WeakPolarHBondContact CG-OH 3.41Å
71L82.3Confident87.2Confident183 Ų18361.5 Ų61.596%0.95833%0.334SS*.THydrogen-bonded Turntrans-61.1-26.9179.5-64.9172.6000112.9
72D83.7Confident87.2Confident164 Ų16464.4 Ų64.488%0.87735%0.346SS*.THydrogen-bonded Turntrans-76-29.5-179.5-165.251.3000112.7P70P70-D72 PolarHBondContact O-N 2.84Å
73A82.5Confident87.2Confident14 Ų1464.4 Ų64.412%0.11635%0.346CS..  trans-141.782179.800000110.3P70 D75 R76P70-A73 WeakPolarHBondContact CD-O 3.49Å; P70-A73 HydrophobicContact CG-CB 4.38Å; P70-A73 CarbonylContact O-C 3.58Å; P70-A73 VanDerWaalsContact O-C 3.23Å; P70-A73 PolarHBondContact O-N 3.33Å; P70-A73 VanDerWaalsContact O-N 3.16Å; A73-D75 PolarHBondContact O-N 2.87Å; A73-D75 VanDerWaalsContact O-N 3.16Å; A73-R76 HydrophobicContact CB-CB 4.21Å; A73-R76 HydrophobicContact CB-CG 4Å; A73-R76 PolarHBondContact O-N 2.86Å
74P81.1Confident87.1Confident55 Ų5562 Ų6236%0.35734%0.338SS..THydrogen-bonded Turntrans-67.8-14.5-173.727.2-34.9000113.7P69 P128 G129P69-P74 WeakPolarHBondContact CG-O 3.41Å; P74-P128 VanDerWaalsContact O-CA 3.29Å; P74-P128 WeakPolarHBondContact O-CA 3.41Å; P74-G129 PolarHBondContact O-N 2.85Å
75D82.6Confident87.1Confident70 Ų7061.7 Ų61.737%0.37433%0.334SS..THydrogen-bonded Turntrans-97.14.2-17763.8-38.3000113.7A73 E122 C125A73-D75 PolarHBondContact O-N 2.87Å; A73-D75 VanDerWaalsContact O-N 3.16Å; D75-E122 WeakPolarHBondContact O-CA 3.42Å; D75-C125 WeakPolarHBondContact O-CB 3.42Å
76R84.1Confident87Confident124 Ų12458 Ų5847%0.46832%0.319SS..  trans-113.6129.8-175.8-65.1-174.4-176.4177.5-2.1112.4A73 K121A73-R76 HydrophobicContact CB-CB 4.21Å; A73-R76 HydrophobicContact CB-CG 4Å; A73-R76 PolarHBondContact O-N 2.86Å; R76-K121 HydrophobicContact CB-CB 3.87Å; R76-K121 HydrophobicContact CG-CB 4.01Å
77G84.6Confident87Confident4 Ų457.2 Ų57.24%0.04132%0.322CS..  trans-81.1177.8164.500000113.4K121 W133G77-K121 PolarHBondContact N-O 3.4Å; G77-W133 WeakPolarHBondContact CA-O 3.41Å
78Y86.4Confident87Confident84 Ų8461.4 Ų61.433%0.32934%0.339SS..EExtended strand (participates in β ladder)trans-115.3142-175.4-65.9-89000111.6P70 W133 V134 L135P70-Y78 WeakPolarHBondContact CB-OH 3.49Å; P70-Y78 WeakPolarHBondContact CD-OH 3.4Å; P70-Y78 HydrophobicContact CG-CE1 4.46Å; P70-Y78 WeakPolarHBondContact CG-OH 3.41Å; Y78-W133 PolarHBondContact N-O 2.86Å; Y78-V134 HydrophobicContact CD2-CG2 3.92Å; Y78-V134 HydrophobicContact CG-CG2 4.36Å; Y78-V134 WeakPolarHBondContact O-CA 3.47Å; Y78-L135 PolarHBondContact O-N 2.99Å
79V89.9Confident86.8Confident34 Ų3458.6 Ų58.621%0.20632%0.315CS..EExtended strand (participates in β ladder)trans-127.9118.8165.7-174.80000106.3L113 I119 L124 L135V79-L113 HydrophobicContact CG1-CD1 3.87Å; V79-L113 HydrophobicContact CG1-CD2 4.44Å; V79-I119 HydrophobicContact CG2-CD1 4.24Å; V79-L124 HydrophobicContact CG2-CD1 3.82Å; V79-L135 WeakPolarHBondContact CA-O 3.44Å; V79-L135 HydrophobicContact CG1-CB 4.44Å; V79-L135 HydrophobicContact CG2-CB 4.42Å; V79-L135 HydrophobicContact CG2-CD1 4.37Å
80V91.9Very high86.6Confident63 Ų6359.1 Ų59.138%0.38232%0.319SS..EExtended strand (participates in β ladder)trans-118.698-176.8-176.10000107.6V134 L135 Y136 C137V80-V134 HydrophobicContact CG2-CG1 4.42Å; V80-L135 PolarHBondContact N-O 3.26Å; V80-Y136 HydrophobicContact CB-CD1 3.97Å; V80-Y136 HydrophobicContact CB-CE1 4.24Å; V80-Y136 HydrophobicContact CG1-CD1 4.36Å; V80-Y136 HydrophobicContact CG2-CE1 4.34Å; V80-C137 PolarHBondContact O-N 3.36Å
81P93.7Very high86.6Confident19 Ų1963.2 Ų63.212%0.12335%0.349CS..EExtended strand (participates in β ladder)trans-78.4140.7171.434.7-36.1000110.2I109 A110 L113 C137P81-I109 HydrophobicContact CB-CB 4.34Å; P81-I109 HydrophobicContact CB-CG2 3.63Å; P81-I109 HydrophobicContact CG-CG2 4.16Å; P81-A110 HydrophobicContact CG-CB 3.74Å; P81-L113 HydrophobicContact CB-CD1 3.93Å; P81-L113 HydrophobicContact CG-CD1 3.78Å; P81-C137 CarbonylContact C-O 3.49Å; P81-C137 WeakPolarHBondContact CA-O 3.46Å
82N94.4Very high86.6Confident73 Ų7361.7 Ų61.739%0.3933%0.33SS..EExtended strand (participates in β ladder)trans-138.2128.3173.2176.856.4000108.6C137 D138 L139N82-C137 PolarHBondContact N-O 3.44Å; N82-D138 PolarHBondContact ND2-OD1 2.93Å; N82-L139 PolarHBondContact O-N 3.19Å
83V93.3Very high86.6Confident1 Ų155.3 Ų55.31%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-112.6122175.5-175.20000109.7L85 T105 S106 I109 L139V83-L85 HydrophobicContact CG1-CD2 4.36Å; V83-T105 HydrophobicContact CB-CG2 4.1Å; V83-T105 HydrophobicContact CG1-CG2 3.88Å; V83-T105 HydrophobicContact CG2-CG2 3.89Å; V83-S106 WeakPolarHBondContact CA-OG 3.29Å; V83-S106 WeakPolarHBondContact CB-OG 3.25Å; V83-S106 PolarHBondContact N-OG 2.87Å; V83-S106 PolarHBondContact O-OG 3.14Å; V83-I109 HydrophobicContact CG2-CD1 3.3Å; V83-I109 HydrophobicContact CG2-CG1 4.49Å; V83-L139 CarbonylContact C-O 3.59Å; V83-L139 WeakPolarHBondContact CA-O 3.41Å; V83-L139 HydrophobicContact CG1-CB 4.45Å; V83-L139 HydrophobicContact CG2-CB 4Å; V83-L139 HydrophobicContact CG2-CD1 4.18Å
84D90.8Very high86.4Confident58 Ų5865.5 Ų65.531%0.3133%0.33SS..EExtended strand (participates in β ladder)trans-109.7134.2174.3-163.5-109000111P86 L139 I140 C141D84-P86 VanDerWaalsContact C-CD 3.47Å; D84-P86 VanDerWaalsContact O-CD 3.26Å; D84-P86 WeakPolarHBondContact O-CD 3.02Å; D84-P86 WeakPolarHBondContact OD1-CD 3.27Å; D84-L139 PolarHBondContact N-O 2.94Å; D84-I140 HydrophobicContact CB-CG1 4.43Å; D84-C141 PolarHBondContact O-N 3.3Å
85L89.6Confident86.4Confident12 Ų1269 Ų696%0.06335%0.351CS..  trans-114.982.5175.7-60178.9000108.1V83 F93 E101 A102 C141 I148V83-L85 HydrophobicContact CG1-CD2 4.36Å; L85-F93 HydrophobicContact CB-CD1 3.93Å; L85-F93 HydrophobicContact CB-CD2 4.36Å; L85-F93 HydrophobicContact CB-CE1 3.89Å; L85-F93 HydrophobicContact CB-CE2 4.32Å; L85-F93 HydrophobicContact CB-CG 4.2Å; L85-F93 HydrophobicContact CB-CZ 4.1Å; L85-F93 HydrophobicContact CD1-CD1 4.45Å; L85-F93 HydrophobicContact CD1-CE1 3.62Å; L85-F93 HydrophobicContact CD1-CZ 3.71Å; L85-F93 HydrophobicContact CG-CE1 4.38Å; L85-F93 HydrophobicContact CG-CZ 4.41Å; L85-E101 HydrophobicContact CD1-CB 4.23Å; L85-E101 HydrophobicContact CD1-CG 4.1Å; L85-A102 HydrophobicContact CB-CB 4.19Å; L85-A102 HydrophobicContact CD1-CB 3.88Å; L85-A102 HydrophobicContact CG-CB 3.85Å; L85-C141 HydrophobicContact CD2-CB 3.42Å; L85-C141 VanDerWaalsContact CD2-CB 3.42Å; L85-I148 HydrophobicContact CD2-CD1 4.25Å; L85-I148 HydrophobicContact CD2-CG1 4.24Å
86P88.7Confident86.4Confident25 Ų2568.3 Ų68.316%0.16236%0.36CS..  trans-66.2163.5-179.726.2-35.3000111.9D84 L88 C89 I140 C141D84-P86 VanDerWaalsContact C-CD 3.47Å; D84-P86 VanDerWaalsContact O-CD 3.26Å; D84-P86 WeakPolarHBondContact O-CD 3.02Å; D84-P86 WeakPolarHBondContact OD1-CD 3.27Å; P86-L88 HydrophobicContact CB-CB 4.38Å; P86-L88 HydrophobicContact CG-CB 4.23Å; P86-L88 PolarHBondContact O-N 3.27Å; P86-C89 WeakPolarHBondContact CD-SG 3.43Å; P86-C89 PolarHBondContact O-N 3.45Å; P86-C89 VanDerWaalsContact O-N 3.1Å; P86-C89 PolarHBondContact O-SG 2.97Å; P86-I140 HydrophobicContact CG-CG2 3.79Å; P86-C141 WeakPolarHBondContact CG-O 3.12Å
87P86.5Confident86.4Confident62 Ų6268 Ų6840%0.40337%0.374SS..THydrogen-bonded Turntrans-61.2-6.6173.228.4-37.4000113.8
88L86.6Confident86.4Confident123 Ų12370.8 Ų70.864%0.64439%0.392SS*.THydrogen-bonded Turntrans-67.6-37.1173.5-174.766.5000112.1P86 L142P86-L88 HydrophobicContact CB-CB 4.38Å; P86-L88 HydrophobicContact CG-CB 4.23Å; P86-L88 PolarHBondContact O-N 3.27Å; L88-L142 CarbonylContact C-O 3.6Å; L88-L142 HydrophobicContact CD2-CD2 4.06Å
89C82.9Confident86.4Confident7 Ų768.8 Ų68.85%0.04740%0.396CS..THydrogen-bonded Turntrans-71.7-38-172.8-23.50000112.3P86 F93 C141 L142 Y144P86-C89 WeakPolarHBondContact CD-SG 3.43Å; P86-C89 PolarHBondContact O-N 3.45Å; P86-C89 VanDerWaalsContact O-N 3.1Å; P86-C89 PolarHBondContact O-SG 2.97Å; C89-F93 HydrophobicContact CB-CD2 4.11Å; C89-F93 HydrophobicContact CB-CE2 4.17Å; C89-C141 HydrophobicContact CB-CB 4.33Å; C89-C141 PolarHBondContact SG-O 3.2Å; C89-L142 VanDerWaalsContact CA-O 3.31Å; C89-L142 WeakPolarHBondContact CA-O 3.18Å; C89-Y144 PolarHBondContact O-N 2.91Å
90S82Confident86.3Confident23 Ų2375 Ų7516%0.16142%0.423CS..  trans-159153.4175.181.10000110.3R92 F93S90-R92 PolarHBondContact O-N 3.42Å; S90-R92 WeakPolarHBondContact OG-CB 3.3Å; S90-R92 PolarHBondContact OG-N 3.01Å; S90-F93 PolarHBondContact O-N 3.39Å; S90-F93 VanDerWaalsContact O-N 3.15Å; S90-F93 WeakPolarHBondContact OG-CD2 3.35Å; S90-F93 WeakPolarHBondContact OG-CE2 3.46Å
91S82.2Confident86.1Confident129 Ų12975 Ų7590%0.90242%0.419SS*.THydrogen-bonded Turntrans-64.7-5.8172.8570000113.9
92R81Confident85.9Confident152 Ų15274.2 Ų74.257%0.57441%0.414SS*.THydrogen-bonded Turntrans-78.5-29.6176.1-51.4177.477.6174.26.1111.3S90 H216S90-R92 PolarHBondContact O-N 3.42Å; S90-R92 WeakPolarHBondContact OG-CB 3.3Å; S90-R92 PolarHBondContact OG-N 3.01Å; R92-H216 PolarHBondContact NH2-ND1 3.13Å
93F83.1Confident85.8Confident30 Ų3075.9 Ų75.913%0.13242%0.419CS..SBendtrans-79.9134.7179.2-61.3-64.4000110.1L85 C89 S90 Y144L85-F93 HydrophobicContact CB-CD1 3.93Å; L85-F93 HydrophobicContact CB-CD2 4.36Å; L85-F93 HydrophobicContact CB-CE1 3.89Å; L85-F93 HydrophobicContact CB-CE2 4.32Å; L85-F93 HydrophobicContact CB-CG 4.2Å; L85-F93 HydrophobicContact CB-CZ 4.1Å; L85-F93 HydrophobicContact CD1-CD1 4.45Å; L85-F93 HydrophobicContact CD1-CE1 3.62Å; L85-F93 HydrophobicContact CD1-CZ 3.71Å; L85-F93 HydrophobicContact CG-CE1 4.38Å; L85-F93 HydrophobicContact CG-CZ 4.41Å; C89-F93 HydrophobicContact CB-CD2 4.11Å; C89-F93 HydrophobicContact CB-CE2 4.17Å; S90-F93 PolarHBondContact O-N 3.39Å; S90-F93 VanDerWaalsContact O-N 3.15Å; S90-F93 WeakPolarHBondContact OG-CD2 3.35Å; S90-F93 WeakPolarHBondContact OG-CE2 3.46Å; F93-Y144 HydrophobicContact CE2-CD2 4.16Å; F93-Y144 HydrophobicContact CE2-CG 4.06Å; F93-Y144 HydrophobicContact CZ-CD2 4.2Å; F93-Y144 HydrophobicContact CZ-CE2 4.3Å; F93-Y144 HydrophobicContact CZ-CG 4.44Å
94R79.9Confident85.7Confident228 Ų22878.9 Ų78.986%0.8644%0.437SS*.PPolyproline II helixtrans-100.8145.6179.4-67-175.4-177.3173.52.1109.6G96R94-G96 PolarHBondContact O-N 2.97Å
95T81.5Confident85.8Confident128 Ų12876.2 Ų76.279%0.78542%0.423SS*.SBendtrans-64.5127.2168-40.40000109.4
96G82.6Confident86Confident56 Ų5676.6 Ų76.658%0.57743%0.427SS*.SBendtrans148-154.1178.900000112.5R94R94-G96 PolarHBondContact O-N 2.97Å
97P84.1Confident86.1Confident117 Ų11780.5 Ų80.576%0.7644%0.443SS*.SBendtrans-60.6155.7176.527.9-34.8000111G99P97-G99 PolarHBondContact O-N 3.13Å
98P84.1Confident86.4Confident63 Ų6377.9 Ų77.941%0.40943%0.425SS..PPolyproline II helixtrans-58.4131.2-177.524.1-33.7000110.2A102 Q103P98-A102 HydrophobicContact CB-CB 4.21Å; P98-Q103 HydrophobicContact CB-CG 4.1Å; P98-Q103 HydrophobicContact CG-CG 4.14Å; P98-Q103 PolarHBondContact O-NE2 3.43Å
99G86.4Confident86.7Confident41 Ų4172 Ų7242%0.42340%0.395SS..PPolyproline II helixtrans-66.5167.4176.100000112.3P97 E101 A102 Q103P97-G99 PolarHBondContact O-N 3.13Å; G99-E101 VanDerWaalsContact C-N 3.31Å; G99-E101 PolarHBondContact O-N 3.31Å; G99-A102 PolarHBondContact O-N 3.38Å; G99-A102 VanDerWaalsContact O-N 3.16Å; G99-Q103 WeakPolarHBondContact O-CG 3.41Å; G99-Q103 PolarHBondContact O-N 2.9Å
100E88.3Confident87.1Confident166 Ų16673.1 Ų73.178%0.77640%0.404SS*.Hα-helixtrans-54.5-45.8-179.2-175.9175.3-172.700112.3A102 Q103 V104E100-A102 PolarHBondContact O-N 2.94Å; E100-Q103 PolarHBondContact O-N 3.48Å; E100-V104 HydrophobicContact CG-CG2 4.49Å; E100-V104 WeakPolarHBondContact O-CG2 3.45Å; E100-V104 PolarHBondContact O-N 3.43Å
101E87.3Confident87.6Confident63 Ų6375.2 Ų75.229%0.29441%0.414SS..Hα-helixtrans-62.9-39.2179.4-170.7179179.700113L85 G99 V104 T105 Y144L85-E101 HydrophobicContact CD1-CB 4.23Å; L85-E101 HydrophobicContact CD1-CG 4.1Å; G99-E101 VanDerWaalsContact C-N 3.31Å; G99-E101 PolarHBondContact O-N 3.31Å; E101-V104 PolarHBondContact O-N 3.24Å; E101-T105 VanDerWaalsContact O-CB 3.29Å; E101-T105 WeakPolarHBondContact O-CB 3.28Å; E101-T105 PolarHBondContact O-N 3.05Å; E101-T105 PolarHBondContact O-OG1 3.22Å; E101-Y144 VanDerWaalsContact OE1-CE2 3.27Å; E101-Y144 WeakPolarHBondContact OE1-CE2 3.23Å; E101-Y144 VanDerWaalsContact OE1-CZ 3.24Å; E101-Y144 PolarHBondContact OE1-OH 2.93Å
102A89.3Confident88Confident2 Ų269.2 Ų69.22%0.01737%0.371CS..Hα-helixtrans-65.8-40.3176.800000111.2L85 P98 G99 E100 T105 S106L85-A102 HydrophobicContact CB-CB 4.19Å; L85-A102 HydrophobicContact CD1-CB 3.88Å; L85-A102 HydrophobicContact CG-CB 3.85Å; P98-A102 HydrophobicContact CB-CB 4.21Å; G99-A102 PolarHBondContact O-N 3.38Å; G99-A102 VanDerWaalsContact O-N 3.16Å; E100-A102 PolarHBondContact O-N 2.94Å; A102-T105 PolarHBondContact O-N 2.96Å; A102-S106 WeakPolarHBondContact O-CB 3.33Å; A102-S106 PolarHBondContact O-N 2.85Å; A102-S106 PolarHBondContact O-OG 2.94Å
103Q91.4Very high88.3Confident108 Ų10863 Ų6351%0.50535%0.35SS..Hα-helixtrans-67.4-45176.9-66.217919.900111.8P98 G99 E100 T105 S106 Q107P98-Q103 HydrophobicContact CB-CG 4.1Å; P98-Q103 HydrophobicContact CG-CG 4.14Å; P98-Q103 PolarHBondContact O-NE2 3.43Å; G99-Q103 WeakPolarHBondContact O-CG 3.41Å; G99-Q103 PolarHBondContact O-N 2.9Å; E100-Q103 PolarHBondContact O-N 3.48Å; Q103-T105 VanDerWaalsContact C-N 3.32Å; Q103-T105 PolarHBondContact O-N 3.48Å; Q103-S106 PolarHBondContact O-N 3.29Å; Q103-Q107 PolarHBondContact O-N 3.14Å
104V92.2Very high88.6Confident63 Ų6366.7 Ų66.738%0.38237%0.367SS..Hα-helixtrans-61.2-43.1176.1172.60000110.6E100 E101 Q107 F108E100-V104 HydrophobicContact CG-CG2 4.49Å; E100-V104 WeakPolarHBondContact O-CG2 3.45Å; E100-V104 PolarHBondContact O-N 3.43Å; E101-V104 PolarHBondContact O-N 3.24Å; V104-Q107 PolarHBondContact O-N 3.01Å; V104-F108 VanDerWaalsContact O-CB 3.25Å; V104-F108 WeakPolarHBondContact O-CB 3.33Å; V104-F108 PolarHBondContact O-N 2.9Å
105T91.7Very high88.9Confident3 Ų360.3 Ų60.32%0.01835%0.35CS..Hα-helixtrans-65-42.6177.8-57.50000111.5V83 E101 A102 Q103 F108 I109 L149V83-T105 HydrophobicContact CB-CG2 4.1Å; V83-T105 HydrophobicContact CG1-CG2 3.88Å; V83-T105 HydrophobicContact CG2-CG2 3.89Å; E101-T105 VanDerWaalsContact O-CB 3.29Å; E101-T105 WeakPolarHBondContact O-CB 3.28Å; E101-T105 PolarHBondContact O-N 3.05Å; E101-T105 PolarHBondContact O-OG1 3.22Å; A102-T105 PolarHBondContact O-N 2.96Å; Q103-T105 VanDerWaalsContact C-N 3.32Å; Q103-T105 PolarHBondContact O-N 3.48Å; T105-F108 PolarHBondContact O-N 3.04Å; T105-I109 HydrophobicContact CG2-CD1 4.25Å; T105-I109 WeakPolarHBondContact O-CG1 3.38Å; T105-I109 PolarHBondContact O-N 2.81Å; T105-L149 HydrophobicContact CG2-CD2 3.96Å
106S93.5Very high88.9Confident19 Ų1954.5 Ų54.513%0.13332%0.315CS..Hα-helixtrans-60.5-47.1176-61.10000111.8V83 A102 Q103 I109 A110V83-S106 WeakPolarHBondContact CA-OG 3.29Å; V83-S106 WeakPolarHBondContact CB-OG 3.25Å; V83-S106 PolarHBondContact N-OG 2.87Å; V83-S106 PolarHBondContact O-OG 3.14Å; A102-S106 WeakPolarHBondContact O-CB 3.33Å; A102-S106 PolarHBondContact O-N 2.85Å; A102-S106 PolarHBondContact O-OG 2.94Å; Q103-S106 PolarHBondContact O-N 3.29Å; S106-I109 PolarHBondContact O-N 3.12Å; S106-A110 PolarHBondContact O-N 3.44Å
107Q92.5Very high88.8Confident108 Ų10858.7 Ų58.751%0.50532%0.319SS..Hα-helixtrans-64.5-42.6176.8-176.260.236.700111.5Q103 V104 I109 A110 D111Q103-Q107 PolarHBondContact O-N 3.14Å; V104-Q107 PolarHBondContact O-N 3.01Å; Q107-I109 VanDerWaalsContact C-N 3.31Å; Q107-I109 PolarHBondContact O-N 3.27Å; Q107-A110 WeakPolarHBondContact O-CB 3.37Å; Q107-A110 PolarHBondContact O-N 3.45Å; Q107-A110 VanDerWaalsContact O-N 3.14Å; Q107-D111 PolarHBondContact NE2-OD1 3.29Å; Q107-D111 VanDerWaalsContact O-CG 3.27Å; Q107-D111 PolarHBondContact O-N 3.04Å
108F92.8Very high88.7Confident6 Ų653.2 Ų53.23%0.02628%0.284CS..Hα-helixtrans-59-42.8178.1173.8-100.3000111.7V104 T105 D111 V112 L149 T223 V225 H236V104-F108 VanDerWaalsContact O-CB 3.25Å; V104-F108 WeakPolarHBondContact O-CB 3.33Å; V104-F108 PolarHBondContact O-N 2.9Å; T105-F108 PolarHBondContact O-N 3.04Å; F108-D111 PolarHBondContact O-N 3.47Å; F108-V112 HydrophobicContact CD1-CG2 4.28Å; F108-V112 HydrophobicContact CE1-CG2 3.9Å; F108-V112 HydrophobicContact CE2-CG2 4.16Å; F108-V112 HydrophobicContact CZ-CG2 3.84Å; F108-V112 VanDerWaalsContact O-CG2 3.28Å; F108-V112 WeakPolarHBondContact O-CG2 3.26Å; F108-V112 PolarHBondContact O-N 2.85Å; F108-L149 HydrophobicContact CB-CD2 4.3Å; F108-L149 HydrophobicContact CD1-CB 4.48Å; F108-L149 HydrophobicContact CD1-CD2 3.54Å; F108-L149 HydrophobicContact CD1-CG 4.5Å; F108-L149 HydrophobicContact CE1-CB 4.15Å; F108-L149 HydrophobicContact CE1-CD2 4.04Å; F108-L149 HydrophobicContact CG-CD2 4.01Å; F108-T223 HydrophobicContact CE1-CG2 4.31Å; F108-T223 HydrophobicContact CE2-CG2 4.47Å; F108-T223 HydrophobicContact CZ-CG2 3.71Å; F108-V225 HydrophobicContact CE1-CG2 4.32Å; F108-V225 HydrophobicContact CE2-CG2 4.24Å; F108-V225 HydrophobicContact CZ-CG2 3.5Å; F108-V225 VanDerWaalsContact CZ-CG2 3.5Å; F108-H236 HydrophobicContact CD2-CB 3.76Å; F108-H236 AromaticContact CD2-CG 3.91Å; F108-H236 HydrophobicContact CE2-CB 3.49Å; F108-H236 VanDerWaalsContact CE2-CB 3.49Å
109I92.3Very high88.6Confident1 Ų150.9 Ų50.91%0.00527%0.268CS..Hα-helixtrans-67.4-38.6176.6-67175000111.5P81 V83 T105 S106 Q107 D111 V112 L113 L139 C152 L156P81-I109 HydrophobicContact CB-CB 4.34Å; P81-I109 HydrophobicContact CB-CG2 3.63Å; P81-I109 HydrophobicContact CG-CG2 4.16Å; V83-I109 HydrophobicContact CG2-CD1 3.3Å; V83-I109 HydrophobicContact CG2-CG1 4.49Å; T105-I109 HydrophobicContact CG2-CD1 4.25Å; T105-I109 WeakPolarHBondContact O-CG1 3.38Å; T105-I109 PolarHBondContact O-N 2.81Å; S106-I109 PolarHBondContact O-N 3.12Å; Q107-I109 VanDerWaalsContact C-N 3.31Å; Q107-I109 PolarHBondContact O-N 3.27Å; I109-D111 VanDerWaalsContact C-N 3.33Å; I109-V112 PolarHBondContact O-N 3.43Å; I109-L113 HydrophobicContact CG2-CD1 4.14Å; I109-L113 WeakPolarHBondContact O-CB 3.34Å; I109-L113 WeakPolarHBondContact O-CG 3.5Å; I109-L113 PolarHBondContact O-N 3.36Å; I109-L139 HydrophobicContact CD1-CD1 4.24Å; I109-L139 HydrophobicContact CD1-CD2 4.25Å; I109-C152 HydrophobicContact CD1-CB 3.52Å; I109-C152 HydrophobicContact CG1-CB 4.45Å; I109-L156 HydrophobicContact CG2-CD2 3.42Å; I109-L156 VanDerWaalsContact CG2-CD2 3.42Å
110A92Very high88.4Confident30 Ų3052.6 Ų52.625%0.24826%0.264CS..Hα-helixtrans-60.1-44.6173.500000111.4P81 S106 Q107 V112 L113 E114P81-A110 HydrophobicContact CG-CB 3.74Å; S106-A110 PolarHBondContact O-N 3.44Å; Q107-A110 WeakPolarHBondContact O-CB 3.37Å; Q107-A110 PolarHBondContact O-N 3.45Å; Q107-A110 VanDerWaalsContact O-N 3.14Å; A110-V112 VanDerWaalsContact C-N 3.35Å; A110-V112 PolarHBondContact O-N 3.11Å; A110-L113 PolarHBondContact O-N 3.23Å; A110-E114 PolarHBondContact O-N 3.03Å
111D90.9Very high88.2Confident67 Ų6747.6 Ų47.636%0.35824%0.239SC..Hα-helixtrans-63.9-40.9176-65.3-18.9000111.1Q107 F108 I109 E114 N115Q107-D111 PolarHBondContact NE2-OD1 3.29Å; Q107-D111 VanDerWaalsContact O-CG 3.27Å; Q107-D111 PolarHBondContact O-N 3.04Å; F108-D111 PolarHBondContact O-N 3.47Å; I109-D111 VanDerWaalsContact C-N 3.33Å; D111-E114 PolarHBondContact O-N 3.45Å; D111-N115 VanDerWaalsContact O-CB 3.27Å; D111-N115 WeakPolarHBondContact O-CB 3.32Å; D111-N115 PolarHBondContact O-N 2.77Å; D111-N115 PolarHBondContact O-ND2 3.15Å
112V90.6Very high88.1Confident2 Ų249.4 Ų49.41%0.01225%0.248CC..Hα-helixtrans-61.4-46.7175.61690000110.5F108 I109 A110 E114 N115 S116 T153 P193 V225F108-V112 HydrophobicContact CD1-CG2 4.28Å; F108-V112 HydrophobicContact CE1-CG2 3.9Å; F108-V112 HydrophobicContact CE2-CG2 4.16Å; F108-V112 HydrophobicContact CZ-CG2 3.84Å; F108-V112 VanDerWaalsContact O-CG2 3.28Å; F108-V112 WeakPolarHBondContact O-CG2 3.26Å; F108-V112 PolarHBondContact O-N 2.85Å; I109-V112 PolarHBondContact O-N 3.43Å; A110-V112 VanDerWaalsContact C-N 3.35Å; A110-V112 PolarHBondContact O-N 3.11Å; V112-E114 VanDerWaalsContact C-N 3.35Å; V112-E114 PolarHBondContact O-N 2.85Å; V112-N115 PolarHBondContact O-N 3.45Å; V112-S116 VanDerWaalsContact O-CB 3.24Å; V112-S116 WeakPolarHBondContact O-CB 3.49Å; V112-S116 PolarHBondContact O-N 2.83Å; V112-S116 PolarHBondContact O-OG 3.14Å; V112-T153 HydrophobicContact CG1-CG2 4.48Å; V112-P193 HydrophobicContact CG1-CB 4.26Å; V112-P193 HydrophobicContact CG1-CG 4.24Å; V112-V225 HydrophobicContact CG1-CG1 4.08Å; V112-V225 HydrophobicContact CG2-CB 4.47Å; V112-V225 HydrophobicContact CG2-CG1 4.33Å; V112-V225 HydrophobicContact CG2-CG2 3.83Å
113L88.9Confident87.8Confident22 Ų2254 Ų5412%0.11527%0.272CS..Hα-helixtrans-60.3-42178.4-81.3165.3000112.5V79 P81 I109 A110 Q117 I118 L156 L160V79-L113 HydrophobicContact CG1-CD1 3.87Å; V79-L113 HydrophobicContact CG1-CD2 4.44Å; P81-L113 HydrophobicContact CB-CD1 3.93Å; P81-L113 HydrophobicContact CG-CD1 3.78Å; I109-L113 HydrophobicContact CG2-CD1 4.14Å; I109-L113 WeakPolarHBondContact O-CB 3.34Å; I109-L113 WeakPolarHBondContact O-CG 3.5Å; I109-L113 PolarHBondContact O-N 3.36Å; A110-L113 PolarHBondContact O-N 3.23Å; L113-Q117 PolarHBondContact O-N 3.37Å; L113-I118 HydrophobicContact CD2-CD1 3.69Å; L113-I118 HydrophobicContact CD2-CG1 4.2Å; L113-L156 HydrophobicContact CD1-CD2 3.93Å; L113-L156 HydrophobicContact CD2-CD2 4.05Å; L113-L156 HydrophobicContact CG-CD2 3.97Å; L113-L160 HydrophobicContact CD2-CD1 4.26Å
114E87.6Confident87.4Confident108 Ų10849 Ų4951%0.50525%0.248SC..Hα-helixtrans-68.7-45.5178.3-163.569.6-140.400111.8A110 D111 V112 K121A110-E114 PolarHBondContact O-N 3.03Å; D111-E114 PolarHBondContact O-N 3.45Å; V112-E114 VanDerWaalsContact C-N 3.35Å; V112-E114 PolarHBondContact O-N 2.85Å; E114-K121 IonicContact OE1-NZ 2.94Å; E114-K121 PolarHBondContact OE1-NZ 3.26Å; E114-K121 IonicContact OE2-NZ 3.82Å; E114-K121 PolarHBondContact OE2-NZ 3.04Å
115N86.9Confident86.9Confident94 Ų9447.4 Ų47.450%0.50324%0.24SC..Hα-helixtrans-71.8-37.1-176-72.7-45.9000113.1D111 V112D111-N115 VanDerWaalsContact O-CB 3.27Å; D111-N115 WeakPolarHBondContact O-CB 3.32Å; D111-N115 PolarHBondContact O-N 2.77Å; D111-N115 PolarHBondContact O-ND2 3.15Å; V112-N115 PolarHBondContact O-N 3.45Å
116S80.6Confident86.5Confident6 Ų649.5 Ų49.54%0.04225%0.25CS..Hα-helixtrans-84-15.3-176.458.80000113.8V112 I118 T191V112-S116 VanDerWaalsContact O-CB 3.24Å; V112-S116 WeakPolarHBondContact O-CB 3.49Å; V112-S116 PolarHBondContact O-N 2.83Å; V112-S116 PolarHBondContact O-OG 3.14Å; S116-I118 PolarHBondContact O-N 3.33Å; S116-I118 VanDerWaalsContact O-N 3.15Å; S116-I118 WeakPolarHBondContact OG-CG1 3.41Å; S116-T191 PolarHBondContact O-OG1 2.8Å
117Q81.6Confident86Confident143 Ų14349.9 Ų49.967%0.66825%0.253SS*.THydrogen-bonded Turntrans48.939.9-178.3-59.5-175.2-18.600113L113 I119L113-Q117 PolarHBondContact O-N 3.37Å; Q117-I119 PolarHBondContact O-N 3.05Å; Q117-I119 VanDerWaalsContact O-N 3.1Å
118I81.5Confident85.4Confident2 Ų249.1 Ų49.11%0.0126%0.258CS..  trans-47.4-44.1-178.6-48.8-168.2000110.9L113 S116 L157 L160 V189 R190 T191 P193L113-I118 HydrophobicContact CD2-CD1 3.69Å; L113-I118 HydrophobicContact CD2-CG1 4.2Å; S116-I118 PolarHBondContact O-N 3.33Å; S116-I118 VanDerWaalsContact O-N 3.15Å; S116-I118 WeakPolarHBondContact OG-CG1 3.41Å; I118-L157 HydrophobicContact CD1-CD2 3.9Å; I118-L157 HydrophobicContact CG2-CD2 4.39Å; I118-L160 HydrophobicContact CD1-CD1 4.46Å; I118-L160 HydrophobicContact CG2-CD1 4.12Å; I118-V189 HydrophobicContact CG2-CB 4.38Å; I118-V189 HydrophobicContact CG2-CG1 3.48Å; I118-V189 VanDerWaalsContact CG2-CG1 3.48Å; I118-V189 HydrophobicContact CG2-CG2 4.31Å; I118-R190 PolarHBondContact O-N 2.85Å; I118-R190 VanDerWaalsContact O-N 3.08Å; I118-T191 WeakPolarHBondContact CA-OG1 3.32Å; I118-P193 HydrophobicContact CD1-CG 3.42Å; I118-P193 VanDerWaalsContact CD1-CG 3.42Å; I118-P193 HydrophobicContact CG1-CG 3.81Å
119I82.8Confident84.8Confident15 Ų1551 Ų518%0.07728%0.279CS..SBendtrans-124.7133.6-178.3-54.4151.5000107.6V79 Q117 K121 L124 L135 L160 L187V79-I119 HydrophobicContact CG2-CD1 4.24Å; Q117-I119 PolarHBondContact O-N 3.05Å; Q117-I119 VanDerWaalsContact O-N 3.1Å; I119-K121 PolarHBondContact O-N 2.99Å; I119-L124 HydrophobicContact CG2-CD1 3.97Å; I119-L124 HydrophobicContact CG2-CG 4.14Å; I119-L135 HydrophobicContact CD1-CD1 4.34Å; I119-L160 HydrophobicContact CD1-CD1 4.1Å; I119-L160 HydrophobicContact CD1-CD2 3.65Å; I119-L187 HydrophobicContact CD1-CD2 3.59Å; I119-L187 HydrophobicContact CG1-CD2 3.7Å; I119-L187 HydrophobicContact CG1-CG 4.39Å; I119-L187 HydrophobicContact CG2-CD1 4.14Å; I119-L187 HydrophobicContact CG2-CD2 4.18Å; I119-L187 HydrophobicContact CG2-CG 4.38Å
120K82.6Confident84.3Confident77 Ų7757.5 Ų57.534%0.33531%0.307SS..  trans-72.8120.9165.8-77.3-172149.8-1450109.3E122 D123 R190K120-E122 HydrophobicContact CB-CB 4.41Å; K120-E122 IonicContact NZ-OE2 3.38Å; K120-E122 PolarHBondContact NZ-OE2 3.42Å; K120-E122 PolarHBondContact O-N 2.86Å; K120-E122 VanDerWaalsContact O-N 3.08Å; K120-D123 HydrophobicContact CB-CB 4.4Å; K120-D123 WeakPolarHBondContact O-CB 3.4Å; K120-D123 PolarHBondContact O-N 2.93Å; K120-R190 VanDerWaalsContact CD-CZ 3.42Å
121K83.9Confident83.9Confident61 Ų6157.9 Ų57.927%0.26530%0.304SS..THydrogen-bonded Turntrans-57-25.1173.2-62.8176.2179.7170.40112.4R76 G77 E114 I119 D123 L124R76-K121 HydrophobicContact CB-CB 3.87Å; R76-K121 HydrophobicContact CG-CB 4.01Å; G77-K121 PolarHBondContact N-O 3.4Å; E114-K121 IonicContact OE1-NZ 2.94Å; E114-K121 PolarHBondContact OE1-NZ 3.26Å; E114-K121 IonicContact OE2-NZ 3.82Å; E114-K121 PolarHBondContact OE2-NZ 3.04Å; I119-K121 PolarHBondContact O-N 2.99Å; K121-D123 VanDerWaalsContact C-N 3.34Å; K121-L124 PolarHBondContact O-N 2.89Å
122E84.2Confident83.8Confident101 Ų10154.7 Ų54.747%0.47229%0.287SS..THydrogen-bonded Turntrans-60.5-38.3173.2-62.6158.6-167.800112.9D75 K120 L124 C125D75-E122 WeakPolarHBondContact O-CA 3.42Å; K120-E122 HydrophobicContact CB-CB 4.41Å; K120-E122 IonicContact NZ-OE2 3.38Å; K120-E122 PolarHBondContact NZ-OE2 3.42Å; K120-E122 PolarHBondContact O-N 2.86Å; K120-E122 VanDerWaalsContact O-N 3.08Å; E122-L124 PolarHBondContact O-N 2.92Å; E122-C125 WeakPolarHBondContact O-CB 3.46Å; E122-C125 PolarHBondContact O-N 2.95Å; E122-C125 VanDerWaalsContact O-N 3.15Å
123D83.2Confident83.6Confident99 Ų9955.5 Ų55.553%0.52929%0.29SS..THydrogen-bonded Turntrans-72.1-20.8-177.5-163.942.6000112.2K120 K121 C125K120-D123 HydrophobicContact CB-CB 4.4Å; K120-D123 WeakPolarHBondContact O-CB 3.4Å; K120-D123 PolarHBondContact O-N 2.93Å; K121-D123 VanDerWaalsContact C-N 3.34Å; D123-C125 VanDerWaalsContact C-N 3.34Å
124L83.2Confident83.7Confident1 Ų154.6 Ų54.61%0.00529%0.286CS..THydrogen-bonded Turntrans-85.3-8.8176.1-65.9171.2000112.2V79 I119 K121 E122 W133 L135 L165 L187V79-L124 HydrophobicContact CG2-CD1 3.82Å; I119-L124 HydrophobicContact CG2-CD1 3.97Å; I119-L124 HydrophobicContact CG2-CG 4.14Å; K121-L124 PolarHBondContact O-N 2.89Å; E122-L124 PolarHBondContact O-N 2.92Å; L124-W133 HydrophobicContact CB-CB 4.08Å; L124-W133 HydrophobicContact CD2-CB 3.93Å; L124-W133 WeakPolarHBondContact O-CB 3.21Å; L124-W133 PolarHBondContact O-N 3.31Å; L124-L135 HydrophobicContact CD1-CD1 4.21Å; L124-L135 HydrophobicContact CD1-CG 4.49Å; L124-L135 HydrophobicContact CD2-CD1 3.85Å; L124-L135 HydrophobicContact CD2-CG 4.12Å; L124-L165 HydrophobicContact CD2-CD1 4.24Å; L124-L187 HydrophobicContact CD2-CD1 3.99Å
125C82.6Confident83.9Confident30 Ų3049.5 Ų49.520%0.20326%0.262CS..EExtended strand (participates in β ladder)trans-82.4121.8177.3-169.50000110.2D75 E122 D123D75-C125 WeakPolarHBondContact O-CB 3.42Å; E122-C125 WeakPolarHBondContact O-CB 3.46Å; E122-C125 PolarHBondContact O-N 2.95Å; E122-C125 VanDerWaalsContact O-N 3.15Å; D123-C125 VanDerWaalsContact C-N 3.34Å
126I82.6Confident84.2Confident47 Ų4749.1 Ų49.124%0.24125%0.254CS..EExtended strand (participates in β ladder)trans-87.6-47.6176.2-55.4163.4000108.9F66 L131 W133 V168 I170F66-I126 HydrophobicContact CD1-CD1 3.66Å; F66-I126 HydrophobicContact CE1-CD1 3.54Å; I126-L131 HydrophobicContact CB-CB 4.47Å; I126-L131 PolarHBondContact N-O 3.46Å; I126-L131 VanDerWaalsContact N-O 3.1Å; I126-W133 HydrophobicContact CD1-CD2 4.45Å; I126-W133 HydrophobicContact CD1-CG 4.35Å; I126-V168 HydrophobicContact CD1-CB 4.07Å; I126-V168 HydrophobicContact CD1-CG1 4.2Å; I126-V168 HydrophobicContact CD1-CG2 4.39Å; I126-V168 HydrophobicContact CG2-CB 4.29Å; I126-V168 HydrophobicContact CG2-CG1 4.37Å; I126-I170 HydrophobicContact CG2-CD1 4.02Å; I126-I170 HydrophobicContact CG2-CG1 4.19Å
127S82.4Confident84.8Confident28 Ų2848.9 Ų48.920%0.19625%0.252CS..EExtended strand (participates in β ladder)trans-145.2127.9174.9176.40000110.9G129 K130 L131S127-G129 PolarHBondContact O-N 3.31Å; S127-K130 PolarHBondContact O-N 3.23Å; S127-K130 VanDerWaalsContact O-N 3.13Å; S127-L131 PolarHBondContact N-O 3.31Å; S127-L131 PolarHBondContact O-N 3.36Å; S127-L131 VanDerWaalsContact O-N 3.14Å
128P81.4Confident85.4Confident92 Ų9245.3 Ų45.360%0.59724%0.238SC*.THydrogen-bonded Turntrans-61126.2-172.924.8-33.8000110.6P74 K130P74-P128 VanDerWaalsContact O-CA 3.29Å; P74-P128 WeakPolarHBondContact O-CA 3.41Å; P128-K130 PolarHBondContact O-N 3.28Å
129G78.9Confident86Confident45 Ų4545.2 Ų45.246%0.46424%0.237SC..THydrogen-bonded Turntrans76.9-5.3177.700000116P74 S127P74-G129 PolarHBondContact O-N 2.85Å; S127-G129 PolarHBondContact O-N 3.31Å
130K82.1Confident86.5Confident137 Ų13747.6 Ų47.660%0.59625%0.25SC*.THydrogen-bonded Turntrans-113-55.8179.4-70.7-175.7-179.7177.40112.7S127 P128S127-K130 PolarHBondContact O-N 3.23Å; S127-K130 VanDerWaalsContact O-N 3.13Å; P128-K130 PolarHBondContact O-N 3.28Å
131L84.3Confident87Confident38 Ų3844 Ų4420%0.19923%0.234CC..EExtended strand (participates in β ladder)trans-143.5127.7-171.6-78.4172.9000110.9F66 I126 S127 I170 A177F66-L131 HydrophobicContact CB-CD2 4.19Å; I126-L131 HydrophobicContact CB-CB 4.47Å; I126-L131 PolarHBondContact N-O 3.46Å; I126-L131 VanDerWaalsContact N-O 3.1Å; S127-L131 PolarHBondContact N-O 3.31Å; S127-L131 PolarHBondContact O-N 3.36Å; S127-L131 VanDerWaalsContact O-N 3.14Å; L131-I170 HydrophobicContact CB-CD1 4.03Å; L131-I170 HydrophobicContact CD1-CD1 3.68Å; L131-I170 HydrophobicContact CD1-CG1 3.94Å; L131-I170 HydrophobicContact CG-CD1 4.32Å; L131-A177 HydrophobicContact CD1-CB 4.23Å
132A87.3Confident87.4Confident0 Ų044 Ų440%024%0.237CC..EExtended strand (participates in β ladder)trans-135.8155.3172.100000110A67 P69A67-A132 PolarHBondContact N-O 3.25Å; A67-A132 PolarHBondContact O-N 2.75Å; A67-A132 VanDerWaalsContact O-O 3.05Å; P69-A132 HydrophobicContact CB-CB 4.07Å; P69-A132 HydrophobicContact CG-CB 4.39Å
133W88.2Confident87.8Confident19 Ų1942.9 Ų42.97%0.07223%0.234CC..EExtended strand (participates in β ladder)trans-75.2138.3171.8-76110.1000111A64 F66 G77 Y78 L124 I126 L165 P166 V168A64-W133 HydrophobicContact CB-CE3 3.61Å; A64-W133 HydrophobicContact CB-CH2 4.35Å; A64-W133 HydrophobicContact CB-CZ3 3.47Å; A64-W133 VanDerWaalsContact CB-CZ3 3.47Å; F66-W133 HydrophobicContact CD1-CD2 4.14Å; F66-W133 AromaticContact CD1-CE3 3.97Å; F66-W133 HydrophobicContact CD1-CE3 3.97Å; F66-W133 HydrophobicContact CD1-CH2 4.26Å; F66-W133 HydrophobicContact CD1-CZ2 4.4Å; F66-W133 HydrophobicContact CD1-CZ3 4.02Å; F66-W133 AromaticContact CE1-CD2 3.79Å; F66-W133 HydrophobicContact CE1-CD2 3.79Å; F66-W133 AromaticContact CE1-CE2 3.54Å; F66-W133 AromaticContact CE1-CE3 3.74Å; F66-W133 HydrophobicContact CE1-CE3 3.74Å; F66-W133 AromaticContact CE1-CH2 3.29Å; F66-W133 HydrophobicContact CE1-CH2 3.29Å; F66-W133 AromaticContact CE1-CZ2 3.31Å; F66-W133 HydrophobicContact CE1-CZ2 3.31Å; F66-W133 AromaticContact CE1-CZ3 3.49Å; F66-W133 HydrophobicContact CE1-CZ3 3.49Å; F66-W133 VanDerWaalsContact CE1-CZ3 3.49Å; F66-W133 HydrophobicContact CE2-CH2 4.07Å; F66-W133 HydrophobicContact CE2-CZ3 4.21Å; F66-W133 HydrophobicContact CZ-CE3 4.32Å; F66-W133 AromaticContact CZ-CH2 3.17Å; F66-W133 HydrophobicContact CZ-CH2 3.17Å; F66-W133 AromaticContact CZ-CZ2 3.55Å; F66-W133 HydrophobicContact CZ-CZ2 3.55Å; F66-W133 AromaticContact CZ-CZ3 3.6Å; F66-W133 HydrophobicContact CZ-CZ3 3.6Å; G77-W133 WeakPolarHBondContact CA-O 3.41Å; Y78-W133 PolarHBondContact N-O 2.86Å; L124-W133 HydrophobicContact CB-CB 4.08Å; L124-W133 HydrophobicContact CD2-CB 3.93Å; L124-W133 WeakPolarHBondContact O-CB 3.21Å; L124-W133 PolarHBondContact O-N 3.31Å; I126-W133 HydrophobicContact CD1-CD2 4.45Å; I126-W133 HydrophobicContact CD1-CG 4.35Å; W133-L165 HydrophobicContact CD2-CD1 4.41Å; W133-L165 HydrophobicContact CG-CD1 4.37Å; W133-L165 HydrophobicContact CZ2-CB 4.37Å; W133-P166 HydrophobicContact CH2-CG 4.06Å; W133-P166 HydrophobicContact CZ2-CG 4.2Å; W133-V168 HydrophobicContact CH2-CG2 4.43Å; W133-V168 HydrophobicContact CZ2-CG2 3.67Å
134V90.5Very high88.1Confident4 Ų439.5 Ų39.52%0.02421%0.214CC..EExtended strand (participates in β ladder)trans-113.2117.5167.6-175.30000107.4A64 E65 A67 Y78 V80 Y136A64-V134 WeakPolarHBondContact CA-O 3.49Å; E65-V134 PolarHBondContact N-O 3.4Å; E65-V134 PolarHBondContact O-N 3.16Å; A67-V134 HydrophobicContact CB-CG2 3.31Å; Y78-V134 HydrophobicContact CD2-CG2 3.92Å; Y78-V134 HydrophobicContact CG-CG2 4.36Å; Y78-V134 WeakPolarHBondContact O-CA 3.47Å; V80-V134 HydrophobicContact CG2-CG1 4.42Å; V134-Y136 HydrophobicContact CB-CE2 4.29Å; V134-Y136 HydrophobicContact CG1-CD1 4.37Å; V134-Y136 HydrophobicContact CG1-CD2 4.16Å; V134-Y136 HydrophobicContact CG1-CE1 3.89Å; V134-Y136 HydrophobicContact CG1-CE2 3.67Å
135L91.6Very high88.3Confident0 Ų041.6 Ų41.60%023%0.225CC..EExtended strand (participates in β ladder)trans-97.4107.8173.6-59-177.3000109I62 A64 Y78 V79 V80 I119 L124 L165 L187I62-L135 HydrophobicContact CG2-CB 4.39Å; I62-L135 HydrophobicContact CG2-CD2 4.49Å; A64-L135 HydrophobicContact CB-CD2 3.69Å; Y78-L135 PolarHBondContact O-N 2.99Å; V79-L135 WeakPolarHBondContact CA-O 3.44Å; V79-L135 HydrophobicContact CG1-CB 4.44Å; V79-L135 HydrophobicContact CG2-CB 4.42Å; V79-L135 HydrophobicContact CG2-CD1 4.37Å; V80-L135 PolarHBondContact N-O 3.26Å; I119-L135 HydrophobicContact CD1-CD1 4.34Å; L124-L135 HydrophobicContact CD1-CD1 4.21Å; L124-L135 HydrophobicContact CD1-CG 4.49Å; L124-L135 HydrophobicContact CD2-CD1 3.85Å; L124-L135 HydrophobicContact CD2-CG 4.12Å; L135-L165 HydrophobicContact CD2-CD1 4.39Å; L135-L165 HydrophobicContact CD2-CD2 4.19Å; L135-L187 HydrophobicContact CD1-CD2 3.92Å
136Y93.5Very high88.5Confident87 Ų8740.1 Ų40.134%0.34122%0.215SC..EExtended strand (participates in β ladder)trans-83.9115167.9-64.5-70.8000108.4I62 K63 E65 V80 V134I62-Y136 VanDerWaalsContact CA-O 3.29Å; I62-Y136 WeakPolarHBondContact CA-O 3.4Å; K63-Y136 PolarHBondContact N-O 3Å; K63-Y136 PolarHBondContact O-N 3.47Å; E65-Y136 HydrophobicContact CB-CD2 4.48Å; E65-Y136 HydrophobicContact CB-CE2 4.05Å; E65-Y136 HydrophobicContact CG-CD2 4.16Å; E65-Y136 HydrophobicContact CG-CE2 4Å; E65-Y136 VanDerWaalsContact OE2-CE2 3.3Å; E65-Y136 WeakPolarHBondContact OE2-CE2 3.42Å; V80-Y136 HydrophobicContact CB-CD1 3.97Å; V80-Y136 HydrophobicContact CB-CE1 4.24Å; V80-Y136 HydrophobicContact CG1-CD1 4.36Å; V80-Y136 HydrophobicContact CG2-CE1 4.34Å; V134-Y136 HydrophobicContact CB-CE2 4.29Å; V134-Y136 HydrophobicContact CG1-CD1 4.37Å; V134-Y136 HydrophobicContact CG1-CD2 4.16Å; V134-Y136 HydrophobicContact CG1-CE1 3.89Å; V134-Y136 HydrophobicContact CG1-CE2 3.67Å
137C93.5Very high88.8Confident0 Ų038 Ų380%020%0.204CC..EExtended strand (participates in β ladder)trans-106.595.4177.7-57.20000107.8I62 V80 P81 N82 L156I62-C137 HydrophobicContact CG1-CB 4.32Å; V80-C137 PolarHBondContact O-N 3.36Å; P81-C137 CarbonylContact C-O 3.49Å; P81-C137 WeakPolarHBondContact CA-O 3.46Å; N82-C137 PolarHBondContact N-O 3.44Å; C137-L156 HydrophobicContact CB-CD1 3.7Å
138D94.1Very high89.2Confident68 Ų6836.9 Ų36.936%0.36420%0.196SC..EExtended strand (participates in β ladder)trans-91.5119.7177.8-67.9-53.1000109.4C60 G61 N82C60-D138 CarbonylContact C-O 3.6Å; C60-D138 WeakPolarHBondContact CA-O 3.43Å; G61-D138 PolarHBondContact N-O 3.32Å; G61-D138 PolarHBondContact O-N 3.23Å; N82-D138 PolarHBondContact ND2-OD1 2.93Å
139L94.2Very high89.7Confident0 Ų033.5 Ų33.50%017%0.173CC..EExtended strand (participates in β ladder)trans-109.4125.7173.7-63.697.3000109V58 I59 C60 N82 V83 D84 I109 C152 A155 L156V58-L139 HydrophobicContact CG1-CB 4.36Å; V58-L139 HydrophobicContact CG1-CD2 4.3Å; I59-L139 CarbonylContact O-C 3.53Å; I59-L139 WeakPolarHBondContact O-CA 3.43Å; C60-L139 HydrophobicContact CB-CD2 4.15Å; C60-L139 HydrophobicContact CB-CG 4.01Å; N82-L139 PolarHBondContact O-N 3.19Å; V83-L139 CarbonylContact C-O 3.59Å; V83-L139 WeakPolarHBondContact CA-O 3.41Å; V83-L139 HydrophobicContact CG1-CB 4.45Å; V83-L139 HydrophobicContact CG2-CB 4Å; V83-L139 HydrophobicContact CG2-CD1 4.18Å; D84-L139 PolarHBondContact N-O 2.94Å; I109-L139 HydrophobicContact CD1-CD1 4.24Å; I109-L139 HydrophobicContact CD1-CD2 4.25Å; L139-C152 HydrophobicContact CD2-CB 3.82Å; L139-C152 VanDerWaalsContact CD2-O 3.22Å; L139-C152 WeakPolarHBondContact CD2-O 3.26Å; L139-A155 HydrophobicContact CD2-CB 4.32Å; L139-L156 HydrophobicContact CD2-CB 4.24Å
140I93.4Very high90.3Very high66 Ų6631.8 Ų31.834%0.33815%0.153SC..EExtended strand (participates in β ladder)trans-121.7123.3177.9-57.1177.4000107.6I59 D84 P86 L142I59-I140 HydrophobicContact CG2-CB 3.93Å; I59-I140 WeakPolarHBondContact CG2-O 3.41Å; I59-I140 PolarHBondContact N-O 3.2Å; I59-I140 PolarHBondContact O-N 3.5Å; D84-I140 HydrophobicContact CB-CG1 4.43Å; P86-I140 HydrophobicContact CG-CG2 3.79Å; I140-L142 HydrophobicContact CG2-CD2 4.43Å
141C92.1Very high90.8Very high0 Ų025.2 Ų25.20%012%0.124CC..EExtended strand (participates in β ladder)trans-76132.9168.8-167.60000108.7V58 D84 L85 P86 C89 D143 I148V58-C141 HydrophobicContact CG2-CB 4.39Å; D84-C141 PolarHBondContact O-N 3.3Å; L85-C141 HydrophobicContact CD2-CB 3.42Å; L85-C141 VanDerWaalsContact CD2-CB 3.42Å; P86-C141 WeakPolarHBondContact CG-O 3.12Å; C89-C141 HydrophobicContact CB-CB 4.33Å; C89-C141 PolarHBondContact SG-O 3.2Å; C141-D143 PolarHBondContact SG-O 3.45Å; C141-I148 HydrophobicContact CB-CD1 3.89Å
142L92.3Very high91.2Very high63 Ų6323.4 Ų23.433%0.3312%0.115SC..EExtended strand (participates in β ladder)trans-98.7-39.7176.2-61.6-179.6000111.3L50 T57 I59 L88 C89 I140L50-L142 HydrophobicContact CD1-CD1 4.19Å; T57-L142 HydrophobicContact CG2-CB 4.35Å; T57-L142 HydrophobicContact CG2-CD1 4.08Å; T57-L142 PolarHBondContact O-N 3.25Å; I59-L142 HydrophobicContact CG2-CD2 4.39Å; I59-L142 HydrophobicContact CG2-CG 4.38Å; L88-L142 CarbonylContact C-O 3.6Å; L88-L142 HydrophobicContact CD2-CD2 4.06Å; C89-L142 VanDerWaalsContact CA-O 3.31Å; C89-L142 WeakPolarHBondContact CA-O 3.18Å; I140-L142 HydrophobicContact CG2-CD2 4.43Å
143D91.7Very high91.4Very high76 Ų7623.6 Ų23.641%0.40612%0.116SC..EExtended strand (participates in β ladder)trans-139.8130.6-179.4-163.5-32.1000107.7N55 T56 T57 C141N55-D143 WeakPolarHBondContact O-CB 3.35Å; T56-D143 CarbonylContact C-O 3.47Å; T56-D143 VanDerWaalsContact CA-O 3.26Å; T56-D143 WeakPolarHBondContact CA-O 3.23Å; T57-D143 PolarHBondContact N-O 3.17Å; T57-D143 PolarHBondContact O-N 3.23Å; C141-D143 PolarHBondContact SG-O 3.45Å
144Y89.9Confident91.6Very high29 Ų2923.2 Ų23.211%0.11412%0.115CC..  trans-114.2106.9-174.3-177.7-82.6000110.1C89 F93 E101 I148C89-Y144 PolarHBondContact O-N 2.91Å; F93-Y144 HydrophobicContact CE2-CD2 4.16Å; F93-Y144 HydrophobicContact CE2-CG 4.06Å; F93-Y144 HydrophobicContact CZ-CD2 4.2Å; F93-Y144 HydrophobicContact CZ-CE2 4.3Å; F93-Y144 HydrophobicContact CZ-CG 4.44Å; E101-Y144 VanDerWaalsContact OE1-CE2 3.27Å; E101-Y144 WeakPolarHBondContact OE1-CE2 3.23Å; E101-Y144 VanDerWaalsContact OE1-CZ 3.24Å; E101-Y144 PolarHBondContact OE1-OH 2.93Å; Y144-I148 HydrophobicContact CD2-CB 4.29Å; Y144-I148 HydrophobicContact CE2-CB 3.85Å; Y144-I148 HydrophobicContact CE2-CG1 4.45Å; Y144-I148 HydrophobicContact CE2-CG2 4Å
145D87.9Confident91.7Very high44 Ų4423 Ų2324%0.23511%0.114CC..SBendtrans-12841.1176.3-160.8-54.5000110.3R33 N55 T56 T211 G212R33-D145 IonicContact CZ-OD1 2.82Å; R33-D145 PolarHBondContact NH1-O 3.31Å; R33-D145 IonicContact NH1-OD1 3.98Å; R33-D145 PolarHBondContact NH1-OD1 2.92Å; R33-D145 PolarHBondContact NH2-O 3.36Å; N55-D145 HydrophobicContact CB-CB 3.69Å; N55-D145 WeakPolarHBondContact CB-OD2 3.48Å; N55-D145 PolarHBondContact ND2-OD2 3.44Å; T56-D145 VanDerWaalsContact OG1-CA 3.32Å; T56-D145 WeakPolarHBondContact OG1-CA 3.39Å; T56-D145 WeakPolarHBondContact OG1-CB 3.39Å; T56-D145 PolarHBondContact OG1-N 3.45Å; T56-D145 PolarHBondContact OG1-O 3.02Å; D145-T211 WeakPolarHBondContact O-CA 3.18Å; D145-G212 VanDerWaalsContact C-N 3.29Å; D145-G212 PolarHBondContact O-N 3.29Å
146G86.3Confident91.7Very high0 Ų023.2 Ų23.20%012%0.115CC..SBendtrans79.5172.8-17900000114.1T56 I148T56-G146 PolarHBondContact OG1-O 3.25Å; G146-I148 PolarHBondContact O-N 2.93Å
147N88.8Confident91.6Very high3 Ų319.2 Ų19.22%0.01610%0.099CC..  trans52.749.1-179.8-163.413.2000114.8L149 D150 A151 S197 D209 E215N147-L149 PolarHBondContact O-N 3.37Å; N147-D150 WeakPolarHBondContact ND2-CB 3.42Å; N147-D150 VanDerWaalsContact ND2-CG 3.31Å; N147-D150 PolarHBondContact ND2-OD2 3.06Å; N147-D150 WeakPolarHBondContact OD1-CB 3.25Å; N147-D150 PolarHBondContact OD1-OD1 2.71Å; N147-D150 PolarHBondContact OD1-OD2 3.31Å; N147-D150 VanDerWaalsContact OD1-OD2 3.08Å; N147-A151 PolarHBondContact O-N 3.47Å; N147-S197 WeakPolarHBondContact OD1-CB 3.47Å; N147-S197 PolarHBondContact OD1-OG 3.27Å; N147-S197 VanDerWaalsContact OD1-OG 3.13Å; N147-D209 WeakPolarHBondContact CB-OD1 3.2Å; N147-D209 PolarHBondContact ND2-OD1 3.47Å; N147-E215 PolarHBondContact N-OE2 3.03Å
148I91.3Very high91.5Very high3 Ų319.2 Ų19.22%0.01510%0.099CC..Hα-helixtrans-66.4-35.7-179.9-174.558.2000112.7V58 L85 C141 Y144 G146 D150 A151 C152V58-I148 HydrophobicContact CG2-CD1 3.58Å; L85-I148 HydrophobicContact CD2-CD1 4.25Å; L85-I148 HydrophobicContact CD2-CG1 4.24Å; C141-I148 HydrophobicContact CB-CD1 3.89Å; Y144-I148 HydrophobicContact CD2-CB 4.29Å; Y144-I148 HydrophobicContact CE2-CB 3.85Å; Y144-I148 HydrophobicContact CE2-CG1 4.45Å; Y144-I148 HydrophobicContact CE2-CG2 4Å; G146-I148 PolarHBondContact O-N 2.93Å; I148-D150 PolarHBondContact O-N 2.91Å; I148-A151 WeakPolarHBondContact O-CB 3.35Å; I148-A151 PolarHBondContact O-N 3.49Å; I148-C152 WeakPolarHBondContact O-CB 3.33Å; I148-C152 PolarHBondContact O-N 3.31Å; I148-C152 PolarHBondContact O-SG 3.47Å
149L91.9Very high91.3Very high21 Ų2116 Ų1611%0.118%0.082CC..Hα-helixtrans-64.1-43.4-175.5-63.1168.2000111.9T105 F108 N147 T153 T223T105-L149 HydrophobicContact CG2-CD2 3.96Å; F108-L149 HydrophobicContact CB-CD2 4.3Å; F108-L149 HydrophobicContact CD1-CB 4.48Å; F108-L149 HydrophobicContact CD1-CD2 3.54Å; F108-L149 HydrophobicContact CD1-CG 4.5Å; F108-L149 HydrophobicContact CE1-CB 4.15Å; F108-L149 HydrophobicContact CE1-CD2 4.04Å; F108-L149 HydrophobicContact CG-CD2 4.01Å; N147-L149 PolarHBondContact O-N 3.37Å; L149-T153 WeakPolarHBondContact O-CB 3.34Å; L149-T153 PolarHBondContact O-N 2.92Å; L149-T153 PolarHBondContact O-OG1 3.25Å; L149-T223 HydrophobicContact CB-CG2 4.2Å; L149-T223 HydrophobicContact CD1-CG2 4.24Å; L149-T223 VanDerWaalsContact CD1-OG1 3.24Å; L149-T223 WeakPolarHBondContact CD1-OG1 3.47Å
150D91.6Very high91.1Very high9 Ų916 Ų165%0.0488%0.082CC..Hα-helixtrans-68.5-43177.5-62.75.4000110.6N147 I148 C152 T153 F154 A195 T196 S197N147-D150 WeakPolarHBondContact ND2-CB 3.42Å; N147-D150 VanDerWaalsContact ND2-CG 3.31Å; N147-D150 PolarHBondContact ND2-OD2 3.06Å; N147-D150 WeakPolarHBondContact OD1-CB 3.25Å; N147-D150 PolarHBondContact OD1-OD1 2.71Å; N147-D150 PolarHBondContact OD1-OD2 3.31Å; N147-D150 VanDerWaalsContact OD1-OD2 3.08Å; I148-D150 PolarHBondContact O-N 2.91Å; D150-C152 VanDerWaalsContact C-N 3.34Å; D150-C152 PolarHBondContact O-N 3.34Å; D150-T153 PolarHBondContact O-N 2.95Å; D150-F154 WeakPolarHBondContact O-CB 3.45Å; D150-F154 PolarHBondContact O-N 3.22Å; D150-A195 VanDerWaalsContact OD1-C 3.27Å; D150-T196 WeakPolarHBondContact OD1-CA 3.35Å; D150-T196 PolarHBondContact OD1-N 3.48Å; D150-T196 VanDerWaalsContact OD2-CA 3.25Å; D150-T196 WeakPolarHBondContact OD2-CA 3.47Å; D150-S197 VanDerWaalsContact CG-N 3.29Å; D150-S197 WeakPolarHBondContact OD1-CB 3.38Å; D150-S197 PolarHBondContact OD1-N 2.89Å; D150-S197 PolarHBondContact OD1-OG 2.88Å; D150-S197 PolarHBondContact OD2-N 2.79Å
151A92.3Very high90.8Very high0 Ų015.2 Ų15.20%08%0.076CC..Hα-helixtrans-57.9-46.9177.500000111.8L53 T56 V58 N147 I148 A155L53-A151 HydrophobicContact CD1-CB 3.53Å; T56-A151 HydrophobicContact CG2-CB 4.23Å; V58-A151 HydrophobicContact CB-CB 4.35Å; V58-A151 HydrophobicContact CG2-CB 3.62Å; N147-A151 PolarHBondContact O-N 3.47Å; I148-A151 WeakPolarHBondContact O-CB 3.35Å; I148-A151 PolarHBondContact O-N 3.49Å; A151-A155 VanDerWaalsContact O-CB 3.24Å; A151-A155 WeakPolarHBondContact O-CB 3.36Å; A151-A155 PolarHBondContact O-N 3.11Å
152C93.1Very high90.6Very high0 Ų016.3 Ų16.30%08%0.082CC..Hα-helixtrans-65.9-46.1178.7-74.60000112.4I109 L139 I148 D150 F154 A155 L156I109-C152 HydrophobicContact CD1-CB 3.52Å; I109-C152 HydrophobicContact CG1-CB 4.45Å; L139-C152 HydrophobicContact CD2-CB 3.82Å; L139-C152 VanDerWaalsContact CD2-O 3.22Å; L139-C152 WeakPolarHBondContact CD2-O 3.26Å; I148-C152 WeakPolarHBondContact O-CB 3.33Å; I148-C152 PolarHBondContact O-N 3.31Å; I148-C152 PolarHBondContact O-SG 3.47Å; D150-C152 VanDerWaalsContact C-N 3.34Å; D150-C152 PolarHBondContact O-N 3.34Å; C152-F154 VanDerWaalsContact C-N 3.29Å; C152-F154 PolarHBondContact O-N 3.26Å; C152-A155 PolarHBondContact O-N 3.12Å; C152-L156 WeakPolarHBondContact O-CB 3.24Å; C152-L156 PolarHBondContact O-N 2.99Å
153T92.1Very high90.4Very high4 Ų413.3 Ų13.33%0.0257%0.066CC..Hα-helixtrans-61.4-42.5179.1-54.20000110.6V112 L149 D150 L156 L157 P193 A195V112-T153 HydrophobicContact CG1-CG2 4.48Å; L149-T153 WeakPolarHBondContact O-CB 3.34Å; L149-T153 PolarHBondContact O-N 2.92Å; L149-T153 PolarHBondContact O-OG1 3.25Å; D150-T153 PolarHBondContact O-N 2.95Å; T153-L156 PolarHBondContact O-N 3.04Å; T153-L157 WeakPolarHBondContact O-CG 3.46Å; T153-L157 PolarHBondContact O-N 2.83Å; T153-P193 VanDerWaalsContact CG2-O 3.27Å; T153-P193 WeakPolarHBondContact CG2-O 3.48Å; T153-A195 HydrophobicContact CG2-CB 3.95Å; T153-A195 WeakPolarHBondContact OG1-CB 3.49Å
154F91.4Very high90Very high10 Ų1012.1 Ų12.14%0.0446%0.058CC..Hα-helixtrans-70.6-39.7179.2-167.7-141.3000112.6V37 V51 D150 C152 L157 A158 V262 L266V37-F154 HydrophobicContact CG2-CD1 3.95Å; V37-F154 HydrophobicContact CG2-CE1 3.09Å; V37-F154 HydrophobicContact CG2-CZ 3.49Å; V37-F154 VanDerWaalsContact CG2-CZ 3.49Å; V51-F154 HydrophobicContact CG1-CD1 3.5Å; V51-F154 HydrophobicContact CG1-CE1 4.18Å; V51-F154 HydrophobicContact CG1-CG 4.4Å; V51-F154 HydrophobicContact CG2-CD1 4.27Å; D150-F154 WeakPolarHBondContact O-CB 3.45Å; D150-F154 PolarHBondContact O-N 3.22Å; C152-F154 VanDerWaalsContact C-N 3.29Å; C152-F154 PolarHBondContact O-N 3.26Å; F154-L157 PolarHBondContact O-N 3.09Å; F154-A158 WeakPolarHBondContact O-CB 3.27Å; F154-A158 PolarHBondContact O-N 2.82Å; F154-V262 HydrophobicContact CD2-CG1 3.47Å; F154-V262 VanDerWaalsContact CD2-CG1 3.47Å; F154-V262 HydrophobicContact CE1-CG1 4.31Å; F154-V262 HydrophobicContact CE2-CG1 3.17Å; F154-V262 HydrophobicContact CG-CG1 4.21Å; F154-V262 HydrophobicContact CZ-CG1 3.65Å; F154-L266 HydrophobicContact CD2-CD1 4.4Å; F154-L266 HydrophobicContact CE2-CB 4.28Å; F154-L266 HydrophobicContact CE2-CD1 3.7Å; F154-L266 HydrophobicContact CZ-CD1 4.39Å
155A92.9Very high89.7Confident0 Ų011.2 Ų11.20%06%0.055CC..Hα-helixtrans-63.3-41.9174.500000112.2V51 V58 C60 L139 A151 C152 A158 A159V51-A155 HydrophobicContact CB-CB 4.08Å; V51-A155 VanDerWaalsContact CG2-CA 3.45Å; V51-A155 HydrophobicContact CG2-CB 3.71Å; V58-A155 HydrophobicContact CB-CB 4.46Å; V58-A155 HydrophobicContact CG1-CB 4.07Å; C60-A155 HydrophobicContact CB-CB 3.93Å; L139-A155 HydrophobicContact CD2-CB 4.32Å; A151-A155 VanDerWaalsContact O-CB 3.24Å; A151-A155 WeakPolarHBondContact O-CB 3.36Å; A151-A155 PolarHBondContact O-N 3.11Å; C152-A155 PolarHBondContact O-N 3.12Å; A155-A158 PolarHBondContact O-N 2.99Å; A155-A159 VanDerWaalsContact O-CB 3.26Å; A155-A159 WeakPolarHBondContact O-CB 3.5Å; A155-A159 PolarHBondContact O-N 3.32Å
156L92.4Very high89.3Confident4 Ų49.8 Ų9.82%0.0215%0.049CC..Hα-helixtrans-62.4-48.1176.2179.863000111.5I62 I109 L113 C137 L139 C152 T153 A158 A159 L160I62-L156 HydrophobicContact CD1-CD1 4.46Å; I109-L156 HydrophobicContact CG2-CD2 3.42Å; I109-L156 VanDerWaalsContact CG2-CD2 3.42Å; L113-L156 HydrophobicContact CD1-CD2 3.93Å; L113-L156 HydrophobicContact CD2-CD2 4.05Å; L113-L156 HydrophobicContact CG-CD2 3.97Å; C137-L156 HydrophobicContact CB-CD1 3.7Å; L139-L156 HydrophobicContact CD2-CB 4.24Å; C152-L156 WeakPolarHBondContact O-CB 3.24Å; C152-L156 PolarHBondContact O-N 2.99Å; T153-L156 PolarHBondContact O-N 3.04Å; L156-A158 PolarHBondContact O-N 2.82Å; L156-A159 PolarHBondContact O-N 3.32Å; L156-L160 HydrophobicContact CD1-CD1 4.07Å; L156-L160 HydrophobicContact CD1-CG 4.12Å; L156-L160 HydrophobicContact CG-CD1 3.93Å; L156-L160 HydrophobicContact CG-CG 4.38Å; L156-L160 WeakPolarHBondContact O-CB 3.36Å; L156-L160 VanDerWaalsContact O-CG 3.3Å; L156-L160 WeakPolarHBondContact O-CG 3.44Å; L156-L160 PolarHBondContact O-N 2.87Å
157L90.4Very high88.8Confident3 Ų314.1 Ų14.12%0.0167%0.069CC..Hα-helixtrans-58.8-47.7177.3-79.6-177.6000112.5I118 T153 F154 A159 L160 K161 N192 P193 V194I118-L157 HydrophobicContact CD1-CD2 3.9Å; I118-L157 HydrophobicContact CG2-CD2 4.39Å; T153-L157 WeakPolarHBondContact O-CG 3.46Å; T153-L157 PolarHBondContact O-N 2.83Å; F154-L157 PolarHBondContact O-N 3.09Å; L157-A159 VanDerWaalsContact C-N 3.31Å; L157-A159 PolarHBondContact O-N 2.86Å; L157-L160 PolarHBondContact O-N 3.4Å; L157-K161 PolarHBondContact O-N 3.48Å; L157-K161 VanDerWaalsContact O-N 3.11Å; L157-N192 HydrophobicContact CD1-CB 4.49Å; L157-P193 WeakPolarHBondContact CD1-O 3.44Å; L157-P193 HydrophobicContact CD2-CG 4.11Å; L157-V194 HydrophobicContact CD1-CG2 4.34Å
158A90.6Very high88.1Confident0 Ų015 Ų150%07%0.074CC..Hα-helixtrans-63.4-39.1179.500000111.6V37 I39 A49 F154 A155 L156 L266V37-A158 HydrophobicContact CG1-CB 3.99Å; I39-A158 HydrophobicContact CD1-CB 4.41Å; I39-A158 HydrophobicContact CG1-CB 4.26Å; A49-A158 HydrophobicContact CB-CB 3.56Å; F154-A158 WeakPolarHBondContact O-CB 3.27Å; F154-A158 PolarHBondContact O-N 2.82Å; A155-A158 PolarHBondContact O-N 2.99Å; L156-A158 PolarHBondContact O-N 2.82Å; A158-L266 HydrophobicContact CB-CD1 3.98Å
159A91.4Very high87.1Confident0 Ų018.6 Ų18.60%010%0.096CC..Hα-helixtrans-68.4-43.3176.900000111.6A49 C60 I62 A155 L156 L157 K161 N162 V163A49-A159 HydrophobicContact CB-CB 3.92Å; C60-A159 HydrophobicContact CB-CB 3.88Å; C60-A159 VanDerWaalsContact SG-CB 3.56Å; I62-A159 HydrophobicContact CD1-CB 3.59Å; I62-A159 HydrophobicContact CG1-CB 3.94Å; A155-A159 VanDerWaalsContact O-CB 3.26Å; A155-A159 WeakPolarHBondContact O-CB 3.5Å; A155-A159 PolarHBondContact O-N 3.32Å; L156-A159 PolarHBondContact O-N 3.32Å; L157-A159 VanDerWaalsContact C-N 3.31Å; L157-A159 PolarHBondContact O-N 2.86Å; A159-K161 PolarHBondContact O-N 2.99Å; A159-N162 WeakPolarHBondContact O-CB 3.33Å; A159-N162 PolarHBondContact O-N 3.31Å; A159-V163 WeakPolarHBondContact O-CG2 3.24Å; A159-V163 PolarHBondContact O-N 2.95Å
160L89.5Confident86Confident0 Ų019.4 Ų19.40%010%0.101CC..Hα-helixtrans-60.4-41.1179.3-80.3174.8000112.8I62 L113 I118 I119 L156 L157 N162 V163 L187 V189I62-L160 HydrophobicContact CD1-CB 4.4Å; I62-L160 HydrophobicContact CD1-CD2 3.59Å; I62-L160 HydrophobicContact CD1-CG 3.77Å; L113-L160 HydrophobicContact CD2-CD1 4.26Å; I118-L160 HydrophobicContact CD1-CD1 4.46Å; I118-L160 HydrophobicContact CG2-CD1 4.12Å; I119-L160 HydrophobicContact CD1-CD1 4.1Å; I119-L160 HydrophobicContact CD1-CD2 3.65Å; L156-L160 HydrophobicContact CD1-CD1 4.07Å; L156-L160 HydrophobicContact CD1-CG 4.12Å; L156-L160 HydrophobicContact CG-CD1 3.93Å; L156-L160 HydrophobicContact CG-CG 4.38Å; L156-L160 WeakPolarHBondContact O-CB 3.36Å; L156-L160 VanDerWaalsContact O-CG 3.3Å; L156-L160 WeakPolarHBondContact O-CG 3.44Å; L156-L160 PolarHBondContact O-N 2.87Å; L157-L160 PolarHBondContact O-N 3.4Å; L160-N162 PolarHBondContact O-N 3.38Å; L160-V163 HydrophobicContact CD2-CG2 4.42Å; L160-V163 WeakPolarHBondContact O-CB 3.22Å; L160-V163 PolarHBondContact O-N 3.44Å; L160-V163 VanDerWaalsContact O-N 3.17Å; L160-L187 HydrophobicContact CD2-CD2 4.21Å; L160-V189 HydrophobicContact CB-CG2 4.23Å
161K87.6Confident85Confident50 Ų5021.7 Ų21.722%0.21711%0.113CC..Hα-helixtrans-66.5-19.3175.8-70.8-164.9179.1-159.10113.7L157 A159 V189 N192 L266 I270L157-K161 PolarHBondContact O-N 3.48Å; L157-K161 VanDerWaalsContact O-N 3.11Å; A159-K161 PolarHBondContact O-N 2.99Å; K161-V189 HydrophobicContact CG-CB 4.31Å; K161-V189 HydrophobicContact CG-CG2 4.05Å; K161-N192 WeakPolarHBondContact CE-OD1 3.42Å; K161-N192 PolarHBondContact NZ-ND2 2.91Å; K161-N192 PolarHBondContact NZ-OD1 3.49Å; K161-N192 VanDerWaalsContact NZ-OD1 3.14Å; K161-L266 HydrophobicContact CD-CD2 3.7Å; K161-L266 HydrophobicContact CD-CG 4.46Å; K161-L266 VanDerWaalsContact CE-CD2 3.5Å; K161-I270 HydrophobicContact CB-CD1 4.39Å; K161-I270 HydrophobicContact CD-CD1 3.46Å; K161-I270 VanDerWaalsContact CD-CD1 3.46Å
162N87.3Confident83.6Confident24 Ų2430.8 Ų30.813%0.12816%0.155CC..Hα-helixtrans-93.5-8.7176.9-167.637.6000113.5I39 G40 S48 A159 L160 Q164I39-N162 HydrophobicContact CG2-CB 3.38Å; I39-N162 VanDerWaalsContact CG2-CG 3.45Å; G40-N162 VanDerWaalsContact CA-ND2 3.27Å; G40-N162 WeakPolarHBondContact CA-ND2 3.21Å; G40-N162 PolarHBondContact N-ND2 2.91Å; S48-N162 PolarHBondContact O-ND2 3.33Å; A159-N162 WeakPolarHBondContact O-CB 3.33Å; A159-N162 PolarHBondContact O-N 3.31Å; L160-N162 PolarHBondContact O-N 3.38Å; N162-Q164 PolarHBondContact O-N 3.49Å
163V88.1Confident81.9Confident0 Ų040.2 Ų40.20%020%0.199CC..  trans-63.1122.9-177.4175.40000109.9D46 I62 A159 L160 L165 Y186 L187D46-V163 WeakPolarHBondContact O-CA 3.37Å; I62-V163 HydrophobicContact CB-CG2 3.95Å; I62-V163 HydrophobicContact CD1-CG2 3.69Å; I62-V163 HydrophobicContact CG1-CG2 4.39Å; I62-V163 HydrophobicContact CG2-CG2 3.77Å; A159-V163 WeakPolarHBondContact O-CG2 3.24Å; A159-V163 PolarHBondContact O-N 2.95Å; L160-V163 HydrophobicContact CD2-CG2 4.42Å; L160-V163 WeakPolarHBondContact O-CB 3.22Å; L160-V163 PolarHBondContact O-N 3.44Å; L160-V163 VanDerWaalsContact O-N 3.17Å; V163-L165 HydrophobicContact CG1-CD2 3.77Å; V163-L165 HydrophobicContact CG1-CG 3.85Å; V163-Y186 WeakPolarHBondContact O-CA 3.29Å; V163-L187 HydrophobicContact CB-CB 4.33Å; V163-L187 HydrophobicContact CG1-CB 4.49Å; V163-L187 PolarHBondContact O-N 2.83Å
164Q83.2Confident80.2Confident51 Ų5144.1 Ų44.124%0.23822%0.223CC..EExtended strand (participates in β ladder)trans-116107.3174.1-70.1-179.18.300110D46 N162 K184 Y186D46-Q164 PolarHBondContact O-N 2.89Å; D46-Q164 VanDerWaalsContact O-N 3.12Å; N162-Q164 PolarHBondContact O-N 3.49Å; Q164-K184 HydrophobicContact CB-CB 4.17Å; Q164-K184 HydrophobicContact CB-CD 4.03Å; Q164-Y186 HydrophobicContact CG-CD1 3.76Å; Q164-Y186 HydrophobicContact CG-CE1 3.51Å; Q164-Y186 HydrophobicContact CG-CG 4.4Å; Q164-Y186 VanDerWaalsContact NE2-CE1 3.3Å; Q164-Y186 PolarHBondContact NE2-OH 3.2Å
165L83.1Confident78.6Confident9 Ų947.3 Ų47.35%0.04725%0.252CS..EExtended strand (participates in β ladder)trans-95.7137.6178-59.6178.8000110.4A64 L124 W133 L135 V163 K184 S185 L187A64-L165 HydrophobicContact CB-CD2 3.28Å; L124-L165 HydrophobicContact CD2-CD1 4.24Å; W133-L165 HydrophobicContact CD2-CD1 4.41Å; W133-L165 HydrophobicContact CG-CD1 4.37Å; W133-L165 HydrophobicContact CZ2-CB 4.37Å; L135-L165 HydrophobicContact CD2-CD1 4.39Å; L135-L165 HydrophobicContact CD2-CD2 4.19Å; V163-L165 HydrophobicContact CG1-CD2 3.77Å; V163-L165 HydrophobicContact CG1-CG 3.85Å; L165-K184 CarbonylContact O-C 3.58Å; L165-K184 VanDerWaalsContact O-CA 3.26Å; L165-K184 WeakPolarHBondContact O-CA 3.43Å; L165-S185 PolarHBondContact N-O 3.04Å; L165-S185 PolarHBondContact O-N 2.94Å; L165-S185 PolarHBondContact O-OG 2.89Å; L165-L187 HydrophobicContact CD1-CD1 4.44Å
166P80.7Confident77Confident15 Ų1552.9 Ų52.910%0.09728%0.281CS..EExtended strand (participates in β ladder)trans-69.7146.9170.530.5-33.4000110.8W133 V179 K183W133-P166 HydrophobicContact CH2-CG 4.06Å; W133-P166 HydrophobicContact CZ2-CG 4.2Å; P166-V179 HydrophobicContact CB-CG1 3.67Å; P166-V179 HydrophobicContact CG-CG1 3.62Å; P166-K183 WeakPolarHBondContact CA-O 3.34Å
167E75.7Confident75.5Confident91 Ų9154.6 Ų54.643%0.42530%0.295SS..EExtended strand (participates in β ladder)trans-66.9134168.8-75.1-173.3157.600110.1N180 K183E167-N180 PolarHBondContact O-N 3.37Å; E167-K183 HydrophobicContact CB-CB 4.36Å; E167-K183 HydrophobicContact CG-CB 4.2Å; E167-K183 PolarHBondContact N-O 2.81Å; E167-K183 WeakPolarHBondContact OE2-CD 3.3Å; E167-K183 IonicContact OE2-NZ 2.79Å
168V74.5Confident74.3Confident20 Ų2059.9 Ų59.912%0.12132%0.32CS..EExtended strand (participates in β ladder)trans-122.6122.5-179.5-174.30000108.8F66 I126 W133 A177 V179F66-V168 HydrophobicContact CE1-CB 4.41Å; F66-V168 HydrophobicContact CE1-CG1 4.28Å; F66-V168 HydrophobicContact CE1-CG2 3.68Å; F66-V168 HydrophobicContact CZ-CG1 4.39Å; F66-V168 HydrophobicContact CZ-CG2 3.59Å; I126-V168 HydrophobicContact CD1-CB 4.07Å; I126-V168 HydrophobicContact CD1-CG1 4.2Å; I126-V168 HydrophobicContact CD1-CG2 4.39Å; I126-V168 HydrophobicContact CG2-CB 4.29Å; I126-V168 HydrophobicContact CG2-CG1 4.37Å; W133-V168 HydrophobicContact CH2-CG2 4.43Å; W133-V168 HydrophobicContact CZ2-CG2 3.67Å; V168-A177 HydrophobicContact CG1-CB 3.81Å; V168-V179 HydrophobicContact CG2-CG1 4.46Å; V168-V179 HydrophobicContact CG2-CG2 4.26Å
169T70.1Confident73.1Confident79 Ų7962.6 Ų62.649%0.48534%0.336SS..EExtended strand (participates in β ladder)trans-111.7131.4173.741.90000109E178T169-E178 PolarHBondContact N-O 3.33Å; T169-E178 VanDerWaalsContact N-O 3.14Å; T169-E178 PolarHBondContact O-N 2.81Å
170I69.1Low72Confident39 Ų3966.1 Ų66.120%0.236%0.355CS..EExtended strand (participates in β ladder)trans-94119.8174.7-59.5169.3000107.3I126 L131 E172I126-I170 HydrophobicContact CG2-CD1 4.02Å; I126-I170 HydrophobicContact CG2-CG1 4.19Å; L131-I170 HydrophobicContact CB-CD1 4.03Å; L131-I170 HydrophobicContact CD1-CD1 3.68Å; L131-I170 HydrophobicContact CD1-CG1 3.94Å; L131-I170 HydrophobicContact CG-CD1 4.32Å; I170-E172 PolarHBondContact O-N 2.67Å
171N69.9Low70.8Confident57 Ų5772.3 Ų72.331%0.30539%0.388SS..  trans-79.2120.5170.6-74.7-33.9000109.1E173 T174 A175 L176 E178N171-E173 PolarHBondContact O-N 3.13Å; N171-T174 PolarHBondContact O-N 2.86Å; N171-A175 PolarHBondContact O-N 2.88Å; N171-L176 PolarHBondContact N-O 2.82Å; N171-E178 PolarHBondContact ND2-OE1 2.74Å; N171-E178 PolarHBondContact ND2-OE2 2.8Å
172E63.6Low69.6Low191 Ų19179.3 Ų79.389%0.89342%0.418SS*.THydrogen-bonded Turntrans-65.1-21.9-174.6-64.1-170.5154.800113.5I170I170-E172 PolarHBondContact O-N 2.67Å
173E56.8Low68.6Low198 Ų19884 Ų8493%0.92544%0.437SS*.THydrogen-bonded Turntrans-86.2-28.9-178.8-67.8-172.2133.400114.3N171N171-E173 PolarHBondContact O-N 3.13Å
174T56.5Low67.9Low85 Ų8589.1 Ų89.152%0.52146%0.459SS..THydrogen-bonded Turntrans-110.9-10.4-177.642.10000113.6N171 L176N171-T174 PolarHBondContact O-N 2.86Å; T174-L176 PolarHBondContact O-N 3.25Å
175A57Low67.5Low78 Ų7889.3 Ų89.365%0.64547%0.467SS*.  trans52.916.6-172.500000114N171N171-A175 PolarHBondContact O-N 2.88Å
176L60Low67.3Low117 Ų11795.8 Ų95.861%0.61349%0.492SS*.  trans-91.7132.9177.5-73.2169.4000109.1N171 T174 E178N171-L176 PolarHBondContact N-O 2.82Å; T174-L176 PolarHBondContact O-N 3.25Å; L176-E178 PolarHBondContact O-N 3.46Å
177A61.1Low67.2Low39 Ų3995.9 Ų95.932%0.32249%0.491SS..EExtended strand (participates in β ladder)trans-76.4110.2171.500000108.8L131 V168 V179L131-A177 HydrophobicContact CD1-CB 4.23Å; V168-A177 HydrophobicContact CG1-CB 3.81Å; A177-V179 PolarHBondContact O-N 3.01Å
178E65.4Low67.1Low115 Ų11596.6 Ų96.654%0.53750%0.498SS..EExtended strand (participates in β ladder)trans-84.5110.2168.4-75.4-173.6164.100108.4T169 N171 L176T169-E178 PolarHBondContact N-O 3.33Å; T169-E178 VanDerWaalsContact N-O 3.14Å; T169-E178 PolarHBondContact O-N 2.81Å; N171-E178 PolarHBondContact ND2-OE1 2.74Å; N171-E178 PolarHBondContact ND2-OE2 2.8Å; L176-E178 PolarHBondContact O-N 3.46Å
179V64.6Low67.4Low57 Ų5796.7 Ų96.735%0.34550%0.498SS..EExtended strand (participates in β ladder)trans-88.3112.7177.8-176.40000108.5F66 P166 V168 A177 L181F66-V179 HydrophobicContact CE2-CG2 4.18Å; F66-V179 HydrophobicContact CZ-CG2 4.13Å; P166-V179 HydrophobicContact CB-CG1 3.67Å; P166-V179 HydrophobicContact CG-CG1 3.62Å; V168-V179 HydrophobicContact CG2-CG1 4.46Å; V168-V179 HydrophobicContact CG2-CG2 4.26Å; A177-V179 PolarHBondContact O-N 3.01Å; V179-L181 HydrophobicContact CG1-CD2 4.14Å; V179-L181 HydrophobicContact CG1-CG 4.41Å; V179-L181 PolarHBondContact O-N 2.88Å; V179-L181 VanDerWaalsContact O-N 3.14Å
180N67.9Low67.8Low74 Ų7499.7 Ų99.740%0.39650%0.501SS..EExtended strand (participates in β ladder)trans-86.786.9177-154.8-25.4000110E167 K182 K183E167-N180 PolarHBondContact O-N 3.37Å; N180-K182 PolarHBondContact O-N 2.87Å; N180-K183 PolarHBondContact O-N 2.94Å; N180-K183 VanDerWaalsContact O-N 3.13Å
181L65Low68.4Low130 Ų13099 Ų9968%0.68150%0.498SS*.EExtended strand (participates in β ladder)trans-57.3-16.7-177.4-67.8166.8000114.5V179V179-L181 HydrophobicContact CG1-CD2 4.14Å; V179-L181 HydrophobicContact CG1-CG 4.41Å; V179-L181 PolarHBondContact O-N 2.88Å; V179-L181 VanDerWaalsContact O-N 3.14Å
182K62.9Low69.2Low197 Ų19796.5 Ų96.586%0.85749%0.485SS*.EExtended strand (participates in β ladder)trans-82.9-23.2-178.7-71.3-176.5178.2179.20113.8N180N180-K182 PolarHBondContact O-N 2.87Å
183K66.3Low70.3Confident121 Ų12187.4 Ų87.453%0.52644%0.443SS..EExtended strand (participates in β ladder)trans-109.5103178.2-70.7-174.1179-177.20108.2P166 E167 N180P166-K183 WeakPolarHBondContact CA-O 3.34Å; E167-K183 HydrophobicContact CB-CB 4.36Å; E167-K183 HydrophobicContact CG-CB 4.2Å; E167-K183 PolarHBondContact N-O 2.81Å; E167-K183 WeakPolarHBondContact OE2-CD 3.3Å; E167-K183 IonicContact OE2-NZ 2.79Å; N180-K183 PolarHBondContact O-N 2.94Å; N180-K183 VanDerWaalsContact O-N 3.13Å
184K72.6Confident71.8Confident108 Ų10878.4 Ų78.447%0.4740%0.401SS..EExtended strand (participates in β ladder)trans-103.7123.4172.5-64.5-171.1178.4-166.80109.2Q164 L165Q164-K184 HydrophobicContact CB-CB 4.17Å; Q164-K184 HydrophobicContact CB-CD 4.03Å; L165-K184 CarbonylContact O-C 3.58Å; L165-K184 VanDerWaalsContact O-CA 3.26Å; L165-K184 WeakPolarHBondContact O-CA 3.43Å
185S74Confident73.5Confident56 Ų5674.6 Ų74.639%0.39238%0.378SS..EExtended strand (participates in β ladder)trans-95.5133.5171.250.10000109.4L165L165-S185 PolarHBondContact N-O 3.04Å; L165-S185 PolarHBondContact O-N 2.94Å; L165-S185 PolarHBondContact O-OG 2.89Å
186Y78.8Confident75.1Confident145 Ų14570.9 Ų70.957%0.56935%0.348SS*.EExtended strand (participates in β ladder)trans-71.4141.7167.7-69.5-90.1000109.6V163 Q164V163-Y186 WeakPolarHBondContact O-CA 3.29Å; Q164-Y186 HydrophobicContact CG-CD1 3.76Å; Q164-Y186 HydrophobicContact CG-CE1 3.51Å; Q164-Y186 HydrophobicContact CG-CG 4.4Å; Q164-Y186 VanDerWaalsContact NE2-CE1 3.3Å; Q164-Y186 PolarHBondContact NE2-OH 3.2Å
187L78.3Confident76.7Confident16 Ų1665.7 Ų65.78%0.08432%0.321CS..PPolyproline II helixtrans-68.6132.2174.1-167.468.5000110.1I119 L124 L135 L160 V163 L165 V189I119-L187 HydrophobicContact CD1-CD2 3.59Å; I119-L187 HydrophobicContact CG1-CD2 3.7Å; I119-L187 HydrophobicContact CG1-CG 4.39Å; I119-L187 HydrophobicContact CG2-CD1 4.14Å; I119-L187 HydrophobicContact CG2-CD2 4.18Å; I119-L187 HydrophobicContact CG2-CG 4.38Å; L124-L187 HydrophobicContact CD2-CD1 3.99Å; L135-L187 HydrophobicContact CD1-CD2 3.92Å; L160-L187 HydrophobicContact CD2-CD2 4.21Å; V163-L187 HydrophobicContact CB-CB 4.33Å; V163-L187 HydrophobicContact CG1-CB 4.49Å; V163-L187 PolarHBondContact O-N 2.83Å; L165-L187 HydrophobicContact CD1-CD1 4.44Å; L187-V189 PolarHBondContact O-N 2.74Å
188N74.4Confident78.1Confident107 Ų10763.9 Ų63.957%0.57231%0.306SS*.  trans-85.398.7-179.4-166.813000110.8
189V80.4Confident79.2Confident21 Ų2158.4 Ų58.413%0.12728%0.28CS..  trans-80.1120.5173.8175.60000109.4I118 L160 K161 L187 T191I118-V189 HydrophobicContact CG2-CB 4.38Å; I118-V189 HydrophobicContact CG2-CG1 3.48Å; I118-V189 VanDerWaalsContact CG2-CG1 3.48Å; I118-V189 HydrophobicContact CG2-CG2 4.31Å; L160-V189 HydrophobicContact CB-CG2 4.23Å; K161-V189 HydrophobicContact CG-CB 4.31Å; K161-V189 HydrophobicContact CG-CG2 4.05Å; L187-V189 PolarHBondContact O-N 2.74Å; V189-T191 VanDerWaalsContact CG1-O 3.3Å; V189-T191 WeakPolarHBondContact CG1-O 3.34Å
190R79.6Confident80.3Confident142 Ų14256.1 Ų56.154%0.53627%0.266SS..  trans-88-38.5-175.8-69.6180170.9-139.7-8.7113.8I118 K120I118-R190 PolarHBondContact O-N 2.85Å; I118-R190 VanDerWaalsContact O-N 3.08Å; K120-R190 VanDerWaalsContact CD-CZ 3.42Å
191T81Confident81Confident25 Ų2553 Ų5315%0.15325%0.249CC..  trans-131.2143.8-171.548.90000108.6S116 I118 V189 P193 D227S116-T191 PolarHBondContact O-OG1 2.8Å; I118-T191 WeakPolarHBondContact CA-OG1 3.32Å; V189-T191 VanDerWaalsContact CG1-O 3.3Å; V189-T191 WeakPolarHBondContact CG1-O 3.34Å; T191-P193 VanDerWaalsContact C-CD 3.42Å; T191-P193 VanDerWaalsContact O-CD 3.23Å; T191-P193 WeakPolarHBondContact O-CD 3.35Å; T191-D227 VanDerWaalsContact CB-OD1 3.28Å; T191-D227 WeakPolarHBondContact CB-OD1 3.3Å; T191-D227 WeakPolarHBondContact CG2-OD2 3.19Å
192N86.1Confident81.4Confident5 Ų549.7 Ų49.73%0.02723%0.232CC..  trans-116.472.6-176.7-62.3-22.5000110.2L157 K161 V194 D227 E228 H259 N263L157-N192 HydrophobicContact CD1-CB 4.49Å; K161-N192 WeakPolarHBondContact CE-OD1 3.42Å; K161-N192 PolarHBondContact NZ-ND2 2.91Å; K161-N192 PolarHBondContact NZ-OD1 3.49Å; K161-N192 VanDerWaalsContact NZ-OD1 3.14Å; N192-V194 PolarHBondContact O-N 2.86Å; N192-D227 PolarHBondContact N-OD1 2.84Å; N192-E228 HydrophobicContact CB-CG 3.9Å; N192-E228 PolarHBondContact ND2-OE1 2.89Å; N192-H259 PolarHBondContact O-CE1 2.83Å; N192-N263 PolarHBondContact ND2-OD1 3.42Å
193P87.9Confident81.8Confident0 Ų044.8 Ų44.80%022%0.215CC..  trans-63.3118.7179.527.5-40000112.7V112 I118 T153 L157 T191 V225 M226V112-P193 HydrophobicContact CG1-CB 4.26Å; V112-P193 HydrophobicContact CG1-CG 4.24Å; I118-P193 HydrophobicContact CD1-CG 3.42Å; I118-P193 VanDerWaalsContact CD1-CG 3.42Å; I118-P193 HydrophobicContact CG1-CG 3.81Å; T153-P193 VanDerWaalsContact CG2-O 3.27Å; T153-P193 WeakPolarHBondContact CG2-O 3.48Å; L157-P193 WeakPolarHBondContact CD1-O 3.44Å; L157-P193 HydrophobicContact CD2-CG 4.11Å; T191-P193 VanDerWaalsContact C-CD 3.42Å; T191-P193 VanDerWaalsContact O-CD 3.23Å; T191-P193 WeakPolarHBondContact O-CD 3.35Å; P193-V225 HydrophobicContact CB-CG1 3.69Å; P193-M226 WeakPolarHBondContact CA-O 3.27Å
194V88.8Confident82.1Confident9 Ų943.3 Ų43.36%0.05522%0.217CC..EExtended strand (participates in β ladder)trans-105126.3174-179.10000109.2L157 N192 V225 M226 H259 V262L157-V194 HydrophobicContact CD1-CG2 4.34Å; N192-V194 PolarHBondContact O-N 2.86Å; V194-V225 WeakPolarHBondContact O-CA 3.44Å; V194-M226 PolarHBondContact N-O 2.85Å; V194-M226 PolarHBondContact O-N 3.32Å; V194-M226 VanDerWaalsContact O-N 3.12Å; V194-H259 HydrophobicContact CB-CB 4.41Å; V194-H259 WeakPolarHBondContact CB-ND1 3.48Å; V194-H259 WeakPolarHBondContact CG2-ND1 3.2Å; V194-V262 HydrophobicContact CG1-CB 4.15Å; V194-V262 HydrophobicContact CG1-CG1 3.95Å; V194-V262 HydrophobicContact CG1-CG2 4.24Å; V194-V262 HydrophobicContact CG2-CB 4.32Å; V194-V262 HydrophobicContact CG2-CG1 3.9Å
195A91.1Very high82.5Confident4 Ų440.2 Ų40.23%0.03321%0.205CC..EExtended strand (participates in β ladder)trans-83.1140.6170.600000110.6D150 T153 T223 I224 V225D150-A195 VanDerWaalsContact OD1-C 3.27Å; T153-A195 HydrophobicContact CG2-CB 3.95Å; T153-A195 WeakPolarHBondContact OG1-CB 3.49Å; A195-T223 HydrophobicContact CB-CG2 4.1Å; A195-I224 CarbonylContact C-O 3.23Å; A195-V225 HydrophobicContact CB-CG2 3.79Å
196T91.6Very high82.9Confident1 Ų138.4 Ų38.41%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-133.2120.9174.550.70000109.5F32 D150 F198 T223 I224 A255 R258F32-T196 HydrophobicContact CZ-CG2 4.5Å; D150-T196 WeakPolarHBondContact OD1-CA 3.35Å; D150-T196 PolarHBondContact OD1-N 3.48Å; D150-T196 VanDerWaalsContact OD2-CA 3.25Å; D150-T196 WeakPolarHBondContact OD2-CA 3.47Å; T196-F198 WeakPolarHBondContact O-CE2 3.44Å; T196-T223 WeakPolarHBondContact O-CA 3.42Å; T196-I224 PolarHBondContact N-O 3.24Å; T196-I224 PolarHBondContact O-N 2.99Å; T196-I224 PolarHBondContact OG1-O 3.25Å; T196-I224 VanDerWaalsContact OG1-O 3.04Å; T196-A255 HydrophobicContact CG2-CB 4.38Å; T196-A255 WeakPolarHBondContact OG1-CB 2.82Å; T196-R258 HydrophobicContact CG2-CB 3.99Å; T196-R258 HydrophobicContact CG2-CG 3.83Å
197S91.8Very high83.4Confident7 Ų731.5 Ų31.55%0.04916%0.164CC..EExtended strand (participates in β ladder)trans-102.7137.5-177.4-620000111.8N147 D150 D209 L222 T223N147-S197 WeakPolarHBondContact OD1-CB 3.47Å; N147-S197 PolarHBondContact OD1-OG 3.27Å; N147-S197 VanDerWaalsContact OD1-OG 3.13Å; D150-S197 VanDerWaalsContact CG-N 3.29Å; D150-S197 WeakPolarHBondContact OD1-CB 3.38Å; D150-S197 PolarHBondContact OD1-N 2.89Å; D150-S197 PolarHBondContact OD1-OG 2.88Å; D150-S197 PolarHBondContact OD2-N 2.79Å; S197-D209 PolarHBondContact O-N 2.79Å; S197-L222 CarbonylContact C-O 3.6Å; S197-T223 WeakPolarHBondContact OG-CG2 3.49Å; S197-T223 PolarHBondContact OG-OG1 2.94Å
198F90.5Very high83.8Confident1 Ų130.8 Ų30.80%0.00416%0.16CC..EExtended strand (participates in β ladder)trans-125.1139.4-178-57.1-82.8000108.7T196 L206 I207 V208 T221 L222 I224 C251 R254 A255T196-F198 WeakPolarHBondContact O-CE2 3.44Å; F198-L206 HydrophobicContact CB-CD1 4.34Å; F198-L206 HydrophobicContact CB-CD2 4.32Å; F198-L206 HydrophobicContact CB-CG 4.32Å; F198-L206 HydrophobicContact CD1-CD2 3.5Å; F198-L206 HydrophobicContact CD1-CG 4.38Å; F198-L206 HydrophobicContact CE1-CD2 4.18Å; F198-L206 HydrophobicContact CG-CD2 4.25Å; F198-I207 CarbonylContact C-O 3.58Å; F198-I207 VanDerWaalsContact CA-O 3.26Å; F198-I207 WeakPolarHBondContact CA-O 3.42Å; F198-V208 HydrophobicContact CD1-CB 4.27Å; F198-V208 HydrophobicContact CD1-CG1 4.13Å; F198-V208 HydrophobicContact CD1-CG2 3.76Å; F198-V208 HydrophobicContact CE1-CB 4.33Å; F198-V208 HydrophobicContact CE1-CG1 3.9Å; F198-V208 HydrophobicContact CE1-CG2 3.67Å; F198-T221 CarbonylContact O-C 3.6Å; F198-T221 WeakPolarHBondContact O-CA 3.5Å; F198-L222 HydrophobicContact CB-CB 4.32Å; F198-L222 WeakPolarHBondContact CB-O 3.26Å; F198-L222 HydrophobicContact CD2-CD2 4.48Å; F198-L222 PolarHBondContact N-O 3.19Å; F198-L222 PolarHBondContact O-N 3.31Å; F198-I224 HydrophobicContact CD2-CD1 4.2Å; F198-I224 HydrophobicContact CD2-CG1 4.38Å; F198-I224 HydrophobicContact CE2-CB 4.27Å; F198-I224 HydrophobicContact CE2-CD1 3.83Å; F198-I224 HydrophobicContact CE2-CG1 4.18Å; F198-C251 HydrophobicContact CD2-CB 4.32Å; F198-C251 HydrophobicContact CE1-CB 4.42Å; F198-C251 HydrophobicContact CE2-CB 4.09Å; F198-C251 HydrophobicContact CZ-CB 4.12Å; F198-C251 WeakPolarHBondContact CZ-O 3.49Å; F198-R254 HydrophobicContact CE1-CB 4.39Å; F198-A255 HydrophobicContact CE2-CB 4.28Å; F198-A255 HydrophobicContact CZ-CB 4.03Å
199A89.2Confident84.5Confident0 Ų025.7 Ų25.70%013%0.133CC..EExtended strand (participates in β ladder)trans-115.4139.8168.800000110.5I207 P210A199-I207 HydrophobicContact CB-CD1 3.97Å; A199-I207 HydrophobicContact CB-CG1 3.68Å; A199-I207 PolarHBondContact N-O 2.93Å; A199-I207 WeakPolarHBondContact O-CG1 3.14Å; A199-I207 PolarHBondContact O-N 2.67Å; A199-P210 HydrophobicContact CB-CB 3.71Å; A199-P210 HydrophobicContact CB-CG 3.99Å
200V87.2Confident84.8Confident10 Ų1024.9 Ų24.96%0.06113%0.128CC..EExtended strand (participates in β ladder)trans-107.8126.6-177-176.20000109.3L205 L206 T219 G220 L243V200-L205 WeakPolarHBondContact CA-O 3.47Å; V200-L206 HydrophobicContact CG2-CD1 4.27Å; V200-T219 PolarHBondContact O-N 2.9Å; V200-T219 PolarHBondContact O-OG1 3.07Å; V200-G220 PolarHBondContact N-O 3.41Å; V200-L243 HydrophobicContact CG2-CD1 4.37Å
201F83.1Confident85.2Confident8 Ų818.8 Ų18.84%0.03511%0.107CC..EExtended strand (participates in β ladder)trans-111.8129.7175-77.5-85.5000110.5L18 D203 T204 L205 I207 E214 L217L18-F201 HydrophobicContact CD1-CB 4.08Å; L18-F201 HydrophobicContact CD1-CD1 3.88Å; L18-F201 HydrophobicContact CD1-CD2 3.86Å; L18-F201 HydrophobicContact CD1-CE1 4.26Å; L18-F201 HydrophobicContact CD1-CE2 4.24Å; L18-F201 HydrophobicContact CD1-CG 3.66Å; L18-F201 HydrophobicContact CD1-CZ 4.41Å; F201-D203 PolarHBondContact O-N 2.85Å; F201-D203 VanDerWaalsContact O-N 3.07Å; F201-T204 PolarHBondContact O-N 2.87Å; F201-T204 VanDerWaalsContact O-N 3.16Å; F201-L205 HydrophobicContact CB-CB 4.24Å; F201-L205 PolarHBondContact N-O 2.85Å; F201-L205 PolarHBondContact O-N 3.49Å; F201-I207 HydrophobicContact CD2-CD1 4.27Å; F201-I207 HydrophobicContact CD2-CG1 4.12Å; F201-I207 HydrophobicContact CD2-CG2 4.47Å; F201-I207 HydrophobicContact CE2-CD1 3.56Å; F201-I207 HydrophobicContact CE2-CG1 3.88Å; F201-E214 HydrophobicContact CE2-CB 4.29Å; F201-E214 HydrophobicContact CZ-CB 4.02Å; F201-E214 HydrophobicContact CZ-CG 4.45Å; F201-E214 VanDerWaalsContact CZ-O 3.26Å; F201-E214 WeakPolarHBondContact CZ-O 3.21Å; F201-L217 HydrophobicContact CE1-CB 4Å; F201-L217 HydrophobicContact CZ-CB 4.4Å
202D73.8Confident85.5Confident60 Ų6018.3 Ų18.332%0.32111%0.107SC..THydrogen-bonded Turntrans46.343.2171.8-62.3-41.2000113.4R15 T204R15-D202 IonicContact CZ-OD1 3.26Å; R15-D202 IonicContact CZ-OD2 2.83Å; R15-D202 IonicContact NE-OD1 3.56Å; R15-D202 PolarHBondContact NE-OD1 3.22Å; R15-D202 IonicContact NE-OD2 3.4Å; R15-D202 PolarHBondContact NE-OD2 3.32Å; R15-D202 IonicContact NH2-OD1 2.84Å; R15-D202 PolarHBondContact NH2-OD1 3.4Å; R15-D202 IonicContact NH2-OD2 2.69Å; D202-T204 WeakPolarHBondContact O-CB 3.46Å; D202-T204 WeakPolarHBondContact O-CG2 3.4Å; D202-T204 PolarHBondContact O-N 2.77Å; D202-T204 PolarHBondContact O-OG1 3.07Å
203D70.3Confident85.5Confident94 Ų9422.2 Ų22.250%0.50313%0.125SC..THydrogen-bonded Turntrans57.6-7179.6-52.7-19.2000116.2F201 S241 K247F201-D203 PolarHBondContact O-N 2.85Å; F201-D203 VanDerWaalsContact O-N 3.07Å; D203-S241 WeakPolarHBondContact OD1-CB 3.27Å; D203-K247 PolarHBondContact O-NZ 3.07Å
204T74Confident85.4Confident91 Ų9122.3 Ų22.356%0.55813%0.125SC*.THydrogen-bonded Turntrans-113.9-47.2-164.146.30000111.1F201 D202 K247F201-T204 PolarHBondContact O-N 2.87Å; F201-T204 VanDerWaalsContact O-N 3.16Å; D202-T204 WeakPolarHBondContact O-CB 3.46Å; D202-T204 WeakPolarHBondContact O-CG2 3.4Å; D202-T204 PolarHBondContact O-N 2.77Å; D202-T204 PolarHBondContact O-OG1 3.07Å; T204-K247 VanDerWaalsContact C-NZ 3.34Å; T204-K247 PolarHBondContact O-NZ 3.44Å
205L80Confident85.2Confident42 Ų4224.1 Ų24.122%0.2213%0.133CC..EExtended strand (participates in β ladder)trans-99.2137.3-171.6-61.1174.6000110.7L18 V200 F201L18-L205 HydrophobicContact CB-CD1 3.75Å; V200-L205 WeakPolarHBondContact CA-O 3.47Å; F201-L205 HydrophobicContact CB-CB 4.24Å; F201-L205 PolarHBondContact N-O 2.85Å; F201-L205 PolarHBondContact O-N 3.49Å
206L84Confident85Confident18 Ų1830 Ų309%0.09416%0.159CC..EExtended strand (participates in β ladder)trans-124.6122.1-179.9-174.1136.9000108.7F198 V200 V208 C251F198-L206 HydrophobicContact CB-CD1 4.34Å; F198-L206 HydrophobicContact CB-CD2 4.32Å; F198-L206 HydrophobicContact CB-CG 4.32Å; F198-L206 HydrophobicContact CD1-CD2 3.5Å; F198-L206 HydrophobicContact CD1-CG 4.38Å; F198-L206 HydrophobicContact CE1-CD2 4.18Å; F198-L206 HydrophobicContact CG-CD2 4.25Å; V200-L206 HydrophobicContact CG2-CD1 4.27Å; L206-V208 HydrophobicContact CD2-CG2 4.35Å; L206-C251 WeakPolarHBondContact CD1-SG 3.29Å
207I87.9Confident84.7Confident0 Ų031.2 Ų31.20%017%0.166CC..EExtended strand (participates in β ladder)trans-107.5148.317461.1157.8000109.8L18 L29 F198 A199 F201 P210 E214L18-I207 HydrophobicContact CD2-CG2 3.75Å; L29-I207 HydrophobicContact CD2-CG2 3.71Å; F198-I207 CarbonylContact C-O 3.58Å; F198-I207 VanDerWaalsContact CA-O 3.26Å; F198-I207 WeakPolarHBondContact CA-O 3.42Å; A199-I207 HydrophobicContact CB-CD1 3.97Å; A199-I207 HydrophobicContact CB-CG1 3.68Å; A199-I207 PolarHBondContact N-O 2.93Å; A199-I207 WeakPolarHBondContact O-CG1 3.14Å; A199-I207 PolarHBondContact O-N 2.67Å; F201-I207 HydrophobicContact CD2-CD1 4.27Å; F201-I207 HydrophobicContact CD2-CG1 4.12Å; F201-I207 HydrophobicContact CD2-CG2 4.47Å; F201-I207 HydrophobicContact CE2-CD1 3.56Å; F201-I207 HydrophobicContact CE2-CG1 3.88Å; I207-P210 HydrophobicContact CD1-CB 3.85Å; I207-E214 HydrophobicContact CD1-CB 3.83Å; I207-E214 HydrophobicContact CD1-CG 4.12Å; I207-E214 WeakPolarHBondContact CD1-OE2 3.49Å
208V87.7Confident84.4Confident1 Ų132 Ų321%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-104.8142.6175.9-1670000108.7R23 L29 F32 F198 L206R23-V208 PolarHBondContact NH1-O 3.04Å; L29-V208 WeakPolarHBondContact O-CG2 3.42Å; L29-V208 PolarHBondContact O-N 3.42Å; F32-V208 HydrophobicContact CD1-CG1 4.13Å; F32-V208 HydrophobicContact CD2-CG1 4.39Å; F32-V208 HydrophobicContact CE1-CG1 3.36Å; F32-V208 HydrophobicContact CE2-CG1 3.66Å; F32-V208 HydrophobicContact CZ-CB 4.4Å; F32-V208 HydrophobicContact CZ-CG1 3.09Å; F198-V208 HydrophobicContact CD1-CB 4.27Å; F198-V208 HydrophobicContact CD1-CG1 4.13Å; F198-V208 HydrophobicContact CD1-CG2 3.76Å; F198-V208 HydrophobicContact CE1-CB 4.33Å; F198-V208 HydrophobicContact CE1-CG1 3.9Å; F198-V208 HydrophobicContact CE1-CG2 3.67Å; L206-V208 HydrophobicContact CD2-CG2 4.35Å
209D87.9Confident84.2Confident1 Ų134.6 Ų34.61%0.00519%0.188CC..SBendtrans54.367.2-179.7179.755000112.3R23 R27 F32 R33 N147 S197R23-D209 PolarHBondContact NH2-O 3.08Å; R27-D209 IonicContact NH1-OD2 2.99Å; R27-D209 PolarHBondContact NH1-OD2 2.86Å; F32-D209 HydrophobicContact CD1-CB 3.87Å; F32-D209 HydrophobicContact CE1-CB 4.37Å; R33-D209 VanDerWaalsContact CG-OD2 3.27Å; R33-D209 WeakPolarHBondContact CG-OD2 2.76Å; R33-D209 IonicContact CZ-OD2 2.8Å; R33-D209 PolarHBondContact N-OD2 2.82Å; R33-D209 IonicContact NE-OD2 3.59Å; R33-D209 PolarHBondContact NE-OD2 2.87Å; R33-D209 PolarHBondContact NH2-O 2.74Å; R33-D209 IonicContact NH2-OD1 3.65Å; R33-D209 IonicContact NH2-OD2 3.45Å; N147-D209 WeakPolarHBondContact CB-OD1 3.2Å; N147-D209 PolarHBondContact ND2-OD1 3.47Å; S197-D209 PolarHBondContact O-N 2.79Å
210P88.2Confident84Confident3 Ų335 Ų352%0.01919%0.192CC..  trans-64.3142.1-177.828.9-35.8000111.9R33 A199 I207 E214 E215R33-P210 PolarHBondContact NH2-O 2.8Å; A199-P210 HydrophobicContact CB-CB 3.71Å; A199-P210 HydrophobicContact CB-CG 3.99Å; I207-P210 HydrophobicContact CD1-CB 3.85Å; P210-E214 WeakPolarHBondContact CA-OE2 3.08Å; P210-E214 HydrophobicContact CB-CB 4.24Å; P210-E215 HydrophobicContact CB-CB 4.33Å
211T88.2Confident84.1Confident15 Ų1536.1 Ų36.19%0.09220%0.199CC..  trans-73.6161.8167.8660000110.9D145 E213 E214 E215D145-T211 WeakPolarHBondContact O-CA 3.18Å; T211-E213 PolarHBondContact O-N 2.9Å; T211-E214 PolarHBondContact N-OE2 2.84Å; T211-E214 PolarHBondContact O-N 3.23Å; T211-E214 VanDerWaalsContact OG1-CG 3.25Å; T211-E214 WeakPolarHBondContact OG1-CG 3.26Å; T211-E214 PolarHBondContact OG1-N 3.07Å; T211-E214 PolarHBondContact OG1-OE2 3.4Å; T211-E215 WeakPolarHBondContact O-CB 3.49Å; T211-E215 PolarHBondContact O-N 3.34Å
212G86Confident84.4Confident15 Ų1536 Ų3616%0.15520%0.198CC..Hα-helixtrans-58.8-30.9179.100000113D145 H216D145-G212 VanDerWaalsContact C-N 3.29Å; D145-G212 PolarHBondContact O-N 3.29Å; G212-H216 PolarHBondContact O-N 2.85Å
213E85.7Confident85.3Confident87 Ų8733.3 Ų33.341%0.40718%0.184SC..Hα-helixtrans-71.1-46.9171.7-69.3-172.2118.800111.8K6 Y14 T211 E215 H216 L217K6-E213 WeakPolarHBondContact CE-OE1 3.46Å; K6-E213 WeakPolarHBondContact CE-OE2 3.45Å; K6-E213 IonicContact NZ-OE1 2.77Å; K6-E213 PolarHBondContact NZ-OE1 3.14Å; K6-E213 IonicContact NZ-OE2 3.09Å; K6-E213 PolarHBondContact NZ-OE2 2.74Å; Y14-E213 HydrophobicContact CE2-CB 4.48Å; Y14-E213 PolarHBondContact OH-OE2 3.16Å; T211-E213 PolarHBondContact O-N 2.9Å; E213-E215 VanDerWaalsContact C-N 3.34Å; E213-E215 PolarHBondContact O-N 3.3Å; E213-H216 PolarHBondContact O-N 2.91Å; E213-L217 WeakPolarHBondContact O-CD1 3.45Å; E213-L217 WeakPolarHBondContact O-CG 3.48Å; E213-L217 PolarHBondContact O-N 3.45Å
214E85.8Confident86.3Confident1 Ų128.8 Ų28.81%0.00516%0.16CC..Hα-helixtrans-63.8-40.8-179.9-72.1167.3169.500111.8Y14 R23 F201 I207 P210 T211 H216 L217 S218Y14-E214 HydrophobicContact CD1-CG 3.86Å; Y14-E214 HydrophobicContact CE1-CG 3.35Å; R23-E214 IonicContact CZ-OE1 3.58Å; R23-E214 IonicContact CZ-OE2 3.98Å; R23-E214 IonicContact NE-OE1 2.76Å; R23-E214 PolarHBondContact NE-OE1 3.44Å; R23-E214 IonicContact NE-OE2 3.26Å; R23-E214 IonicContact NH2-OE1 2.67Å; R23-E214 PolarHBondContact NH2-OE1 2.94Å; R23-E214 IonicContact NH2-OE2 2.61Å; R23-E214 PolarHBondContact NH2-OE2 2.91Å; F201-E214 HydrophobicContact CE2-CB 4.29Å; F201-E214 HydrophobicContact CZ-CB 4.02Å; F201-E214 HydrophobicContact CZ-CG 4.45Å; F201-E214 VanDerWaalsContact CZ-O 3.26Å; F201-E214 WeakPolarHBondContact CZ-O 3.21Å; I207-E214 HydrophobicContact CD1-CB 3.83Å; I207-E214 HydrophobicContact CD1-CG 4.12Å; I207-E214 WeakPolarHBondContact CD1-OE2 3.49Å; P210-E214 WeakPolarHBondContact CA-OE2 3.08Å; P210-E214 HydrophobicContact CB-CB 4.24Å; T211-E214 PolarHBondContact N-OE2 2.84Å; T211-E214 PolarHBondContact O-N 3.23Å; T211-E214 VanDerWaalsContact OG1-CG 3.25Å; T211-E214 WeakPolarHBondContact OG1-CG 3.26Å; T211-E214 PolarHBondContact OG1-N 3.07Å; T211-E214 PolarHBondContact OG1-OE2 3.4Å; E214-H216 VanDerWaalsContact C-N 3.31Å; E214-H216 PolarHBondContact O-N 2.81Å; E214-L217 CarbonylContact O-C 3.03Å; E214-L217 PolarHBondContact O-N 3.5Å; E214-S218 VanDerWaalsContact O-CB 3.26Å; E214-S218 WeakPolarHBondContact O-CB 3.46Å; E214-S218 PolarHBondContact O-N 3.19Å
215E86.3Confident87.2Confident47 Ų4724.5 Ų24.522%0.2213%0.133CC..Hα-helixtrans-59.9-43.5176.3-174165.5-177.300111N147 P210 T211 E213 L217 S218 T221N147-E215 PolarHBondContact N-OE2 3.03Å; P210-E215 HydrophobicContact CB-CB 4.33Å; T211-E215 WeakPolarHBondContact O-CB 3.49Å; T211-E215 PolarHBondContact O-N 3.34Å; E213-E215 VanDerWaalsContact C-N 3.34Å; E213-E215 PolarHBondContact O-N 3.3Å; E215-L217 VanDerWaalsContact C-N 3.33Å; E215-L217 PolarHBondContact O-N 3.27Å; E215-S218 PolarHBondContact O-N 2.85Å; E215-S218 PolarHBondContact O-OG 3.16Å; E215-T221 HydrophobicContact CG-CG2 4.05Å
216H86.2Confident87.6Confident127 Ų12722.8 Ų22.859%0.58812%0.124SC*.Hα-helixtrans-65.6-34.2176.9-174.752.2000113.6R92 G212 E213 E214R92-H216 PolarHBondContact NH2-ND1 3.13Å; G212-H216 PolarHBondContact O-N 2.85Å; E213-H216 PolarHBondContact O-N 2.91Å; E214-H216 VanDerWaalsContact C-N 3.31Å; E214-H216 PolarHBondContact O-N 2.81Å
217L85.3Confident87.7Confident28 Ų2822.5 Ų22.515%0.14712%0.123CC..Hα-helixtrans-86.8-12.4-179.8-63168.5000112.7P10 L11 Y14 F201 E213 E214 E215P10-L217 HydrophobicContact CB-CD1 4.11Å; P10-L217 HydrophobicContact CB-CD2 4.12Å; P10-L217 HydrophobicContact CG-CD2 4.11Å; L11-L217 HydrophobicContact CD2-CB 3.86Å; L11-L217 HydrophobicContact CD2-CD2 3.47Å; L11-L217 VanDerWaalsContact CD2-CD2 3.47Å; L11-L217 HydrophobicContact CD2-CG 4.2Å; L11-L217 HydrophobicContact CG-CD2 3.75Å; Y14-L217 HydrophobicContact CD2-CD1 3.49Å; Y14-L217 VanDerWaalsContact CD2-CD1 3.49Å; Y14-L217 HydrophobicContact CE2-CD1 3.79Å; Y14-L217 HydrophobicContact CG-CD1 4.02Å; F201-L217 HydrophobicContact CE1-CB 4Å; F201-L217 HydrophobicContact CZ-CB 4.4Å; E213-L217 WeakPolarHBondContact O-CD1 3.45Å; E213-L217 WeakPolarHBondContact O-CG 3.48Å; E213-L217 PolarHBondContact O-N 3.45Å; E214-L217 CarbonylContact O-C 3.03Å; E214-L217 PolarHBondContact O-N 3.5Å; E215-L217 VanDerWaalsContact C-N 3.33Å; E215-L217 PolarHBondContact O-N 3.27Å
218S84.9Confident87.3Confident23 Ų2326.7 Ų26.716%0.16114%0.143CC..  trans-71.6151.3-175.373.60000112.1E214 E215E214-S218 VanDerWaalsContact O-CB 3.26Å; E214-S218 WeakPolarHBondContact O-CB 3.46Å; E214-S218 PolarHBondContact O-N 3.19Å; E215-S218 PolarHBondContact O-N 2.85Å; E215-S218 PolarHBondContact O-OG 3.16Å
219T85.7Confident86.9Confident56 Ų5633.2 Ų33.234%0.34417%0.173SC..SBendtrans-85.4-14.9177.460.30000112.7V200 G240 S241V200-T219 PolarHBondContact O-N 2.9Å; V200-T219 PolarHBondContact O-OG1 3.07Å; T219-G240 WeakPolarHBondContact O-CA 3.26Å; T219-S241 PolarHBondContact O-N 2.91Å; T219-S241 PolarHBondContact OG1-OG 3.44Å; T219-S241 VanDerWaalsContact OG1-OG 3.13Å
220G86.4Confident86.3Confident9 Ų935.2 Ų35.29%0.09319%0.194CC..EExtended strand (participates in β ladder)trans-174.7147.6178.600000111.3V200V200-G220 PolarHBondContact N-O 3.41Å
221T88.8Confident86.1Confident33 Ų3340.5 Ų40.520%0.20222%0.217CC..EExtended strand (participates in β ladder)trans-112.6149.5174.151.60000109.9F198 E215 P238F198-T221 CarbonylContact O-C 3.6Å; F198-T221 WeakPolarHBondContact O-CA 3.5Å; E215-T221 HydrophobicContact CG-CG2 4.05Å; T221-P238 VanDerWaalsContact OG1-CG 3.3Å; T221-P238 WeakPolarHBondContact OG1-CG 3.26Å
222L90.3Very high86.1Confident4 Ų444 Ų442%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-141.3121.6178.2175.373.3000108.3S197 F198 I224 L235 H236 K237 L243 C251S197-L222 CarbonylContact C-O 3.6Å; F198-L222 HydrophobicContact CB-CB 4.32Å; F198-L222 WeakPolarHBondContact CB-O 3.26Å; F198-L222 HydrophobicContact CD2-CD2 4.48Å; F198-L222 PolarHBondContact N-O 3.19Å; F198-L222 PolarHBondContact O-N 3.31Å; L222-I224 HydrophobicContact CD2-CD1 3.98Å; L222-I224 HydrophobicContact CD2-CG1 4.22Å; L222-I224 HydrophobicContact CG-CD1 4.44Å; L222-I224 HydrophobicContact CG-CG1 4.12Å; L222-L235 HydrophobicContact CD1-CD1 4.22Å; L222-L235 HydrophobicContact CD1-CD2 3.74Å; L222-L235 HydrophobicContact CD1-CG 3.86Å; L222-H236 WeakPolarHBondContact CA-O 3.43Å; L222-K237 HydrophobicContact CD1-CB 4.04Å; L222-K237 HydrophobicContact CD1-CG 4.45Å; L222-L243 HydrophobicContact CD2-CD2 3.83Å; L222-C251 HydrophobicContact CD2-CB 4.44Å
223T91.6Very high86Confident4 Ų444.5 Ų44.53%0.02524%0.235CC..EExtended strand (participates in β ladder)trans-113.9127.1173.8-55.40000109.3F108 L149 A195 T196 S197 H236F108-T223 HydrophobicContact CE1-CG2 4.31Å; F108-T223 HydrophobicContact CE2-CG2 4.47Å; F108-T223 HydrophobicContact CZ-CG2 3.71Å; L149-T223 HydrophobicContact CB-CG2 4.2Å; L149-T223 HydrophobicContact CD1-CG2 4.24Å; L149-T223 VanDerWaalsContact CD1-OG1 3.24Å; L149-T223 WeakPolarHBondContact CD1-OG1 3.47Å; A195-T223 HydrophobicContact CB-CG2 4.1Å; T196-T223 WeakPolarHBondContact O-CA 3.42Å; S197-T223 WeakPolarHBondContact OG-CG2 3.49Å; S197-T223 PolarHBondContact OG-OG1 2.94Å; T223-H236 PolarHBondContact N-O 2.78Å; T223-H236 PolarHBondContact O-N 2.98Å
224I92Very high86Confident0 Ų041.2 Ų41.20%022%0.222CC..EExtended strand (participates in β ladder)trans-115.4124.9179.8-61.7175.7000107.7A195 T196 F198 L222 M226 L232 C251 M252 A255A195-I224 CarbonylContact C-O 3.23Å; T196-I224 PolarHBondContact N-O 3.24Å; T196-I224 PolarHBondContact O-N 2.99Å; T196-I224 PolarHBondContact OG1-O 3.25Å; T196-I224 VanDerWaalsContact OG1-O 3.04Å; F198-I224 HydrophobicContact CD2-CD1 4.2Å; F198-I224 HydrophobicContact CD2-CG1 4.38Å; F198-I224 HydrophobicContact CE2-CB 4.27Å; F198-I224 HydrophobicContact CE2-CD1 3.83Å; F198-I224 HydrophobicContact CE2-CG1 4.18Å; L222-I224 HydrophobicContact CD2-CD1 3.98Å; L222-I224 HydrophobicContact CD2-CG1 4.22Å; L222-I224 HydrophobicContact CG-CD1 4.44Å; L222-I224 HydrophobicContact CG-CG1 4.12Å; I224-M226 HydrophobicContact CG2-CG 3.79Å; I224-M226 HydrophobicContact CG2-SD 4.37Å; I224-L232 HydrophobicContact CG2-CD1 3.59Å; I224-C251 HydrophobicContact CD1-CB 3.58Å; I224-M252 HydrophobicContact CD1-CG 4.47Å; I224-A255 HydrophobicContact CG2-CB 4.37Å
225V91.6Very high86.2Confident0 Ų044.6 Ų44.60%024%0.239CC..EExtended strand (participates in β ladder)trans-108124.8174.1-171.80000108.9F108 V112 P193 V194 A195 C233 S234F108-V225 HydrophobicContact CE1-CG2 4.32Å; F108-V225 HydrophobicContact CE2-CG2 4.24Å; F108-V225 HydrophobicContact CZ-CG2 3.5Å; F108-V225 VanDerWaalsContact CZ-CG2 3.5Å; V112-V225 HydrophobicContact CG1-CG1 4.08Å; V112-V225 HydrophobicContact CG2-CB 4.47Å; V112-V225 HydrophobicContact CG2-CG1 4.33Å; V112-V225 HydrophobicContact CG2-CG2 3.83Å; P193-V225 HydrophobicContact CB-CG1 3.69Å; V194-V225 WeakPolarHBondContact O-CA 3.44Å; A195-V225 HydrophobicContact CB-CG2 3.79Å; V225-C233 HydrophobicContact CB-CB 4.29Å; V225-C233 HydrophobicContact CG1-CB 4.07Å; V225-C233 PolarHBondContact O-N 2.84Å; V225-S234 WeakPolarHBondContact CB-OG 3.33Å; V225-S234 WeakPolarHBondContact CG2-OG 3.32Å; V225-S234 PolarHBondContact N-O 3.14Å; V225-S234 PolarHBondContact O-N 3.01Å
226M89.6Confident86.4Confident6 Ų644.7 Ų44.73%0.0324%0.24CC..EExtended strand (participates in β ladder)trans-130.5152.9175.3-32.4151.5-63.600111.4P193 V194 I224 K231 A255 V256 H259P193-M226 WeakPolarHBondContact CA-O 3.27Å; V194-M226 PolarHBondContact N-O 2.85Å; V194-M226 PolarHBondContact O-N 3.32Å; V194-M226 VanDerWaalsContact O-N 3.12Å; I224-M226 HydrophobicContact CG2-CG 3.79Å; I224-M226 HydrophobicContact CG2-SD 4.37Å; M226-K231 VanDerWaalsContact CA-O 3.28Å; M226-K231 WeakPolarHBondContact CA-O 3.39Å; M226-K231 WeakPolarHBondContact CB-O 3.49Å; M226-A255 HydrophobicContact CE-CB 3.4Å; M226-A255 WeakPolarHBondContact CE-O 3.26Å; M226-A255 HydrophobicContact SD-CB 3.4Å; M226-A255 WeakPolarHBondContact SD-CB 3.33Å; M226-V256 HydrophobicContact CE-CG2 4.36Å; M226-V256 VanDerWaalsContact CE-N 3.29Å; M226-V256 HydrophobicContact SD-CB 4.38Å; M226-V256 HydrophobicContact SD-CG2 3.55Å; M226-V256 VanDerWaalsContact SD-CG2 3.55Å; M226-V256 PolarHBondContact SD-N 3.12Å; M226-H259 HydrophobicContact CE-CB 3.72Å; M226-H259 PolarHBondContact O-CE1 2.9Å; M226-H259 VanDerWaalsContact O-CE1 3.24Å; M226-H259 PolarHBondContact O-ND1 3.25Å
227D86.6Confident86.5Confident12 Ų1242.5 Ų42.56%0.06423%0.229CC..  trans-89171.8176.4-161.211.1000112.5T191 N192 E229 G230 K231T191-D227 VanDerWaalsContact CB-OD1 3.28Å; T191-D227 WeakPolarHBondContact CB-OD1 3.3Å; T191-D227 WeakPolarHBondContact CG2-OD2 3.19Å; N192-D227 PolarHBondContact N-OD1 2.84Å; D227-E229 PolarHBondContact O-N 3.46Å; D227-G230 WeakPolarHBondContact O-CA 3.4Å; D227-G230 PolarHBondContact O-N 2.62Å; D227-K231 HydrophobicContact CB-CB 4.4Å; D227-K231 PolarHBondContact N-O 3.39Å
228E79.3Confident86.4Confident89 Ų8945.1 Ų45.142%0.41625%0.247SC..THydrogen-bonded Turntrans-59.4-32.5-179.9-65-176.8135.700112.9N192 G230 H259 N263N192-E228 HydrophobicContact CB-CG 3.9Å; N192-E228 PolarHBondContact ND2-OE1 2.89Å; E228-G230 PolarHBondContact O-N 2.94Å; E228-H259 VanDerWaalsContact CA-NE2 3.31Å; E228-H259 WeakPolarHBondContact CA-NE2 3.26Å; E228-H259 PolarHBondContact N-CE1 2.85Å; E228-H259 PolarHBondContact N-NE2 3.01Å; E228-N263 PolarHBondContact OE1-ND2 2.87Å
229E78.8Confident86.1Confident138 Ų13845.7 Ų45.765%0.64526%0.256SS*.THydrogen-bonded Turntrans-78.12.7176.1-62.9-174.89100113.2D227 K231D227-E229 PolarHBondContact O-N 3.46Å; E229-K231 HydrophobicContact CB-CD 4.29Å; E229-K231 HydrophobicContact CB-CG 4.23Å; E229-K231 VanDerWaalsContact CD-NZ 3.32Å; E229-K231 PolarHBondContact O-N 2.96Å; E229-K231 IonicContact OE1-NZ 2.62Å; E229-K231 PolarHBondContact OE1-NZ 3.38Å; E229-K231 WeakPolarHBondContact OE2-CE 3.46Å; E229-K231 IonicContact OE2-NZ 3.73Å; E229-K231 PolarHBondContact OE2-NZ 3.04Å
230G74.5Confident85.8Confident43 Ų4345.6 Ų45.644%0.44327%0.266SS..SBendtrans72.516.6-175.500000113.5D227 E228D227-G230 WeakPolarHBondContact O-CA 3.4Å; D227-G230 PolarHBondContact O-N 2.62Å; E228-G230 PolarHBondContact O-N 2.94Å
231K85.1Confident85.3Confident114 Ų11446 Ų4650%0.49627%0.268SS..  trans-77.1134.1173.9-67.7173-175.21600109.5M226 D227 E229 C233M226-K231 VanDerWaalsContact CA-O 3.28Å; M226-K231 WeakPolarHBondContact CA-O 3.39Å; M226-K231 WeakPolarHBondContact CB-O 3.49Å; D227-K231 HydrophobicContact CB-CB 4.4Å; D227-K231 PolarHBondContact N-O 3.39Å; E229-K231 HydrophobicContact CB-CD 4.29Å; E229-K231 HydrophobicContact CB-CG 4.23Å; E229-K231 VanDerWaalsContact CD-NZ 3.32Å; E229-K231 PolarHBondContact O-N 2.96Å; E229-K231 IonicContact OE1-NZ 2.62Å; E229-K231 PolarHBondContact OE1-NZ 3.38Å; E229-K231 WeakPolarHBondContact OE2-CE 3.46Å; E229-K231 IonicContact OE2-NZ 3.73Å; E229-K231 PolarHBondContact OE2-NZ 3.04Å; K231-C233 PolarHBondContact O-N 3.01Å
232L87.3Confident84.8Confident88 Ų8847.5 Ų47.546%0.46129%0.29SS..EExtended strand (participates in β ladder)trans-73.5115.5173.6-17771.8000109I224 L235I224-L232 HydrophobicContact CG2-CD1 3.59Å; L232-L235 HydrophobicContact CD2-CB 4.47Å
233C83.6Confident84.2Confident25 Ų2549.4 Ų49.417%0.16930%0.3CS..EExtended strand (participates in β ladder)trans-83.6-52.1175.5-65.70000110.7V225 K231V225-C233 HydrophobicContact CB-CB 4.29Å; V225-C233 HydrophobicContact CG1-CB 4.07Å; V225-C233 PolarHBondContact O-N 2.84Å; K231-C233 PolarHBondContact O-N 3.01Å
234S86.4Confident83.9Confident18 Ų1853.4 Ų53.413%0.12633%0.325CS..EExtended strand (participates in β ladder)trans-149.7148.8179.865.90000111.3V225V225-S234 WeakPolarHBondContact CB-OG 3.33Å; V225-S234 WeakPolarHBondContact CG2-OG 3.32Å; V225-S234 PolarHBondContact N-O 3.14Å; V225-S234 PolarHBondContact O-N 3.01Å
235L90.3Very high83.6Confident72 Ų7255.8 Ų55.838%0.37735%0.349SS..EExtended strand (participates in β ladder)trans-125.3119.1171.3-177152.3000107.2L222 L232 K237 L248L222-L235 HydrophobicContact CD1-CD1 4.22Å; L222-L235 HydrophobicContact CD1-CD2 3.74Å; L222-L235 HydrophobicContact CD1-CG 3.86Å; L232-L235 HydrophobicContact CD2-CB 4.47Å; L235-K237 HydrophobicContact CD2-CB 4.22Å; L235-L248 HydrophobicContact CD1-CD1 4.28Å; L235-L248 HydrophobicContact CD1-CD2 4.12Å
236H89.5Confident83.4Confident49 Ų4959.4 Ų59.423%0.22738%0.379CS..EExtended strand (participates in β ladder)trans-112.9117.1179.1-175.276000109.7F108 L222 T223F108-H236 HydrophobicContact CD2-CB 3.76Å; F108-H236 AromaticContact CD2-CG 3.91Å; F108-H236 HydrophobicContact CE2-CB 3.49Å; F108-H236 VanDerWaalsContact CE2-CB 3.49Å; L222-H236 WeakPolarHBondContact CA-O 3.43Å; T223-H236 PolarHBondContact N-O 2.78Å; T223-H236 PolarHBondContact O-N 2.98Å
237K89Confident83.1Confident82 Ų8261.9 Ų61.936%0.35739%0.39SS..  trans-129.694.8174.7-173.1-176.2-170.7-66.60107.7L222 L235 G239 G240 S241L222-K237 HydrophobicContact CD1-CB 4.04Å; L222-K237 HydrophobicContact CD1-CG 4.45Å; L235-K237 HydrophobicContact CD2-CB 4.22Å; K237-G239 PolarHBondContact NZ-O 3.17Å; K237-G239 PolarHBondContact O-N 3.02Å; K237-G239 VanDerWaalsContact O-N 3.15Å; K237-G240 PolarHBondContact NZ-O 2.81Å; K237-S241 WeakPolarHBondContact CE-O 3.47Å; K237-S241 PolarHBondContact NZ-O 2.86Å
238P82.4Confident83.1Confident83 Ų8363.4 Ų63.454%0.53940%0.398SS..  trans-71.4-6.3-174.727.4-32.8000113.5T221T221-P238 VanDerWaalsContact OG1-CG 3.3Å; T221-P238 WeakPolarHBondContact OG1-CG 3.26Å
239G80.4Confident83.5Confident34 Ų3464.8 Ų64.835%0.35140%0.404SS..SBendtrans155.5-160.5175.700000112.6K237K237-G239 PolarHBondContact NZ-O 3.17Å; K237-G239 PolarHBondContact O-N 3.02Å; K237-G239 VanDerWaalsContact O-N 3.15Å
240G77.8Confident83.9Confident54 Ų5461.1 Ų61.156%0.55739%0.389SS*.  trans90.6-165.6171.800000115.5T219 K237T219-G240 WeakPolarHBondContact O-CA 3.26Å; K237-G240 PolarHBondContact NZ-O 2.81Å
241S77.2Confident84.5Confident18 Ų1859 Ų5913%0.12637%0.368CS..SBendtrans-52.5151.9-175.344.50000115.1D203 T219 K237D203-S241 WeakPolarHBondContact OD1-CB 3.27Å; T219-S241 PolarHBondContact O-N 2.91Å; T219-S241 PolarHBondContact OG1-OG 3.44Å; T219-S241 VanDerWaalsContact OG1-OG 3.13Å; K237-S241 WeakPolarHBondContact CE-O 3.47Å; K237-S241 PolarHBondContact NZ-O 2.86Å
242G77.1Confident84.7Confident65 Ų6556 Ų5667%0.6736%0.356SS*.PPolyproline II helixtrans-71130.7177.700000111
243L79Confident84.8Confident43 Ų4354.8 Ų54.823%0.22536%0.355CS..PPolyproline II helixtrans-102.4128.2177.6-164.673000110.4V200 L222 K247 L248V200-L243 HydrophobicContact CG2-CD1 4.37Å; L222-L243 HydrophobicContact CD2-CD2 3.83Å; L243-K247 HydrophobicContact CD1-CB 3.75Å; L243-K247 HydrophobicContact CD1-CD 4.01Å; L243-K247 HydrophobicContact CG-CB 4.05Å; L243-L248 HydrophobicContact CD2-CB 3.77Å; L243-L248 HydrophobicContact CD2-CD1 4.15Å; L243-L248 HydrophobicContact CD2-CG 3.86Å
244T84.9Confident84.9Confident89 Ų8957.7 Ų57.755%0.54636%0.362SS..PPolyproline II helixtrans-69.8142172.2-42.10000110.3A246 K247 L248T244-A246 HydrophobicContact CG2-CB 4.45Å; T244-A246 PolarHBondContact O-N 3.41Å; T244-A246 VanDerWaalsContact O-N 3.14Å; T244-K247 WeakPolarHBondContact O-CB 3.21Å; T244-K247 PolarHBondContact O-N 2.8Å; T244-L248 PolarHBondContact O-N 3.19Å; T244-L248 VanDerWaalsContact O-N 3.14Å
245G85.1Confident85Confident50 Ų5056.8 Ų56.852%0.51536%0.356SS..Hα-helixtrans-54.1-34.917800000114K247 L248 Q249G245-K247 PolarHBondContact O-N 3.19Å; G245-L248 WeakPolarHBondContact O-CB 3.05Å; G245-L248 PolarHBondContact O-N 2.93Å; G245-Q249 WeakPolarHBondContact O-CG 3.47Å; G245-Q249 PolarHBondContact O-N 2.76Å
246A86.6Confident85Confident76 Ų7655.5 Ų55.563%0.62835%0.351SS*.Hα-helixtrans-62.4-38.9175.300000113.1T244 Q249 D250T244-A246 HydrophobicContact CG2-CB 4.45Å; T244-A246 PolarHBondContact O-N 3.41Å; T244-A246 VanDerWaalsContact O-N 3.14Å; A246-Q249 PolarHBondContact O-N 3.2Å; A246-D250 PolarHBondContact O-N 2.72Å; A246-D250 VanDerWaalsContact O-N 3.11Å
247K84.2Confident85Confident58 Ų5856.5 Ų56.525%0.25236%0.364SS..Hα-helixtrans-69.7-39.4176.1-65-170.3-178.8-166.50111.3D203 T204 L243 T244 G245 Q249 D250 C251D203-K247 PolarHBondContact O-NZ 3.07Å; T204-K247 VanDerWaalsContact C-NZ 3.34Å; T204-K247 PolarHBondContact O-NZ 3.44Å; L243-K247 HydrophobicContact CD1-CB 3.75Å; L243-K247 HydrophobicContact CD1-CD 4.01Å; L243-K247 HydrophobicContact CG-CB 4.05Å; T244-K247 WeakPolarHBondContact O-CB 3.21Å; T244-K247 PolarHBondContact O-N 2.8Å; G245-K247 PolarHBondContact O-N 3.19Å; K247-Q249 VanDerWaalsContact C-N 3.27Å; K247-Q249 PolarHBondContact O-N 2.98Å; K247-D250 WeakPolarHBondContact O-CB 3.32Å; K247-D250 PolarHBondContact O-N 3.46Å; K247-D250 VanDerWaalsContact O-N 3.12Å; K247-C251 PolarHBondContact O-N 2.85Å; K247-C251 PolarHBondContact O-SG 3.01Å
248L86.9Confident84.9Confident43 Ų4353.5 Ų53.523%0.22535%0.35CS..Hα-helixtrans-60.4-40.3176.5-152.4162.4000110.7L235 L243 T244 G245 C251 M252L235-L248 HydrophobicContact CD1-CD1 4.28Å; L235-L248 HydrophobicContact CD1-CD2 4.12Å; L243-L248 HydrophobicContact CD2-CB 3.77Å; L243-L248 HydrophobicContact CD2-CD1 4.15Å; L243-L248 HydrophobicContact CD2-CG 3.86Å; T244-L248 PolarHBondContact O-N 3.19Å; T244-L248 VanDerWaalsContact O-N 3.14Å; G245-L248 WeakPolarHBondContact O-CB 3.05Å; G245-L248 PolarHBondContact O-N 2.93Å; L248-C251 WeakPolarHBondContact O-CB 3.47Å; L248-C251 PolarHBondContact O-N 3.42Å; L248-M252 HydrophobicContact CD2-CE 3.05Å; L248-M252 HydrophobicContact CD2-CG 4.19Å; L248-M252 HydrophobicContact CD2-SD 4.43Å; L248-M252 HydrophobicContact CG-CE 4.49Å; L248-M252 WeakPolarHBondContact O-CG 3.34Å; L248-M252 PolarHBondContact O-N 3.44Å
249Q87.9Confident85.1Confident118 Ų11850 Ų5055%0.55133%0.326SS*.Hα-helixtrans-63.7-41172.8-68.4-63.8-44.400112.9G245 A246 K247 M252 S253G245-Q249 WeakPolarHBondContact O-CG 3.47Å; G245-Q249 PolarHBondContact O-N 2.76Å; A246-Q249 PolarHBondContact O-N 3.2Å; K247-Q249 VanDerWaalsContact C-N 3.27Å; K247-Q249 PolarHBondContact O-N 2.98Å; Q249-M252 VanDerWaalsContact NE2-CE 3.3Å; Q249-M252 PolarHBondContact O-N 3.28Å; Q249-S253 PolarHBondContact O-N 3.19Å
250D87.6Confident85.5Confident61 Ų6154.6 Ų54.633%0.32634%0.337SS..Hα-helixtrans-60.4-46172.8-176.742.7000111.1A246 K247 M252 S253 R254A246-D250 PolarHBondContact O-N 2.72Å; A246-D250 VanDerWaalsContact O-N 3.11Å; K247-D250 WeakPolarHBondContact O-CB 3.32Å; K247-D250 PolarHBondContact O-N 3.46Å; K247-D250 VanDerWaalsContact O-N 3.12Å; D250-M252 VanDerWaalsContact C-N 3.34Å; D250-M252 PolarHBondContact O-N 3.33Å; D250-S253 PolarHBondContact O-N 3.21Å; D250-S253 VanDerWaalsContact O-N 3.13Å; D250-S253 PolarHBondContact O-OG 3.1Å; D250-R254 WeakPolarHBondContact O-CG 3.3Å; D250-R254 PolarHBondContact O-N 2.9Å; D250-R254 IonicContact OD1-CZ 3.81Å; D250-R254 IonicContact OD1-NE 3.99Å; D250-R254 PolarHBondContact OD1-NE 2.74Å; D250-R254 IonicContact OD1-NH2 3.39Å; D250-R254 IonicContact OD2-CZ 2.72Å; D250-R254 IonicContact OD2-NE 3.46Å; D250-R254 PolarHBondContact OD2-NE 3.31Å; D250-R254 IonicContact OD2-NH2 3.42Å; D250-R254 PolarHBondContact OD2-NH2 3.15Å
251C86.6Confident85.9Confident0 Ų056.6 Ų56.60%033%0.332CS..Hα-helixtrans-55.8-47.4174.2-56.80000111.9F198 L206 L222 I224 K247 L248 S253 R254 A255F198-C251 HydrophobicContact CD2-CB 4.32Å; F198-C251 HydrophobicContact CE1-CB 4.42Å; F198-C251 HydrophobicContact CE2-CB 4.09Å; F198-C251 HydrophobicContact CZ-CB 4.12Å; F198-C251 WeakPolarHBondContact CZ-O 3.49Å; L206-C251 WeakPolarHBondContact CD1-SG 3.29Å; L222-C251 HydrophobicContact CD2-CB 4.44Å; I224-C251 HydrophobicContact CD1-CB 3.58Å; K247-C251 PolarHBondContact O-N 2.85Å; K247-C251 PolarHBondContact O-SG 3.01Å; L248-C251 WeakPolarHBondContact O-CB 3.47Å; L248-C251 PolarHBondContact O-N 3.42Å; C251-S253 VanDerWaalsContact C-N 3.33Å; C251-S253 PolarHBondContact O-N 2.9Å; C251-R254 PolarHBondContact O-N 3.39Å; C251-A255 WeakPolarHBondContact O-CB 3.33Å; C251-A255 PolarHBondContact O-N 3.21Å
252M88.7Confident86.4Confident51 Ų5156.1 Ų56.125%0.25133%0.328SS..Hα-helixtrans-59.4-44.2177.4-70.2-171.3-140.200111.4I224 L248 Q249 D250 R254 A255 V256I224-M252 HydrophobicContact CD1-CG 4.47Å; L248-M252 HydrophobicContact CD2-CE 3.05Å; L248-M252 HydrophobicContact CD2-CG 4.19Å; L248-M252 HydrophobicContact CD2-SD 4.43Å; L248-M252 HydrophobicContact CG-CE 4.49Å; L248-M252 WeakPolarHBondContact O-CG 3.34Å; L248-M252 PolarHBondContact O-N 3.44Å; Q249-M252 VanDerWaalsContact NE2-CE 3.3Å; Q249-M252 PolarHBondContact O-N 3.28Å; D250-M252 VanDerWaalsContact C-N 3.34Å; D250-M252 PolarHBondContact O-N 3.33Å; M252-R254 VanDerWaalsContact C-N 3.34Å; M252-R254 PolarHBondContact O-N 3.48Å; M252-A255 WeakPolarHBondContact O-CB 3.21Å; M252-A255 PolarHBondContact O-N 2.58Å; M252-V256 WeakPolarHBondContact O-CG2 3.26Å; M252-V256 PolarHBondContact O-N 3.24Å
253S89.2Confident86.8Confident62 Ų6254.1 Ų54.143%0.43430%0.302SS..Hα-helixtrans-63.7-39.7-179.7770000112.7Q249 D250 C251 V256 S257Q249-S253 PolarHBondContact O-N 3.19Å; D250-S253 PolarHBondContact O-N 3.21Å; D250-S253 VanDerWaalsContact O-N 3.13Å; D250-S253 PolarHBondContact O-OG 3.1Å; C251-S253 VanDerWaalsContact C-N 3.33Å; C251-S253 PolarHBondContact O-N 2.9Å; S253-V256 PolarHBondContact O-N 3.11Å; S253-S257 PolarHBondContact O-N 2.8Å; S253-S257 VanDerWaalsContact O-N 3.16Å; S253-S257 PolarHBondContact O-OG 2.9Å
254R86.8Confident87.3Confident85 Ų8558.6 Ų58.632%0.32132%0.319SS..Hα-helixtrans-69-41.1175.4-67.4-179-168.2-158.45.4111.6F198 D250 C251 M252 V256 S257 R258F198-R254 HydrophobicContact CE1-CB 4.39Å; D250-R254 WeakPolarHBondContact O-CG 3.3Å; D250-R254 PolarHBondContact O-N 2.9Å; D250-R254 IonicContact OD1-CZ 3.81Å; D250-R254 IonicContact OD1-NE 3.99Å; D250-R254 PolarHBondContact OD1-NE 2.74Å; D250-R254 IonicContact OD1-NH2 3.39Å; D250-R254 IonicContact OD2-CZ 2.72Å; D250-R254 IonicContact OD2-NE 3.46Å; D250-R254 PolarHBondContact OD2-NE 3.31Å; D250-R254 IonicContact OD2-NH2 3.42Å; D250-R254 PolarHBondContact OD2-NH2 3.15Å; C251-R254 PolarHBondContact O-N 3.39Å; M252-R254 VanDerWaalsContact C-N 3.34Å; M252-R254 PolarHBondContact O-N 3.48Å; R254-V256 VanDerWaalsContact C-N 3.34Å; R254-V256 PolarHBondContact O-N 3.14Å; R254-S257 PolarHBondContact O-N 3.28Å; R254-R258 PolarHBondContact O-N 2.99Å
255A88.7Confident87.4Confident0 Ų057.1 Ų57.10%031%0.308CS..Hα-helixtrans-57.9-48175.200000109.8T196 F198 I224 M226 C251 M252 S257 R258 H259T196-A255 HydrophobicContact CG2-CB 4.38Å; T196-A255 WeakPolarHBondContact OG1-CB 2.82Å; F198-A255 HydrophobicContact CE2-CB 4.28Å; F198-A255 HydrophobicContact CZ-CB 4.03Å; I224-A255 HydrophobicContact CG2-CB 4.37Å; M226-A255 HydrophobicContact CE-CB 3.4Å; M226-A255 WeakPolarHBondContact CE-O 3.26Å; M226-A255 HydrophobicContact SD-CB 3.4Å; M226-A255 WeakPolarHBondContact SD-CB 3.33Å; C251-A255 WeakPolarHBondContact O-CB 3.33Å; C251-A255 PolarHBondContact O-N 3.21Å; M252-A255 WeakPolarHBondContact O-CB 3.21Å; M252-A255 PolarHBondContact O-N 2.58Å; A255-S257 VanDerWaalsContact C-N 3.33Å; A255-S257 PolarHBondContact O-N 3.4Å; A255-R258 PolarHBondContact O-N 2.84Å; A255-H259 WeakPolarHBondContact O-CB 3.47Å; A255-H259 PolarHBondContact O-N 3.19Å
256V90.1Very high87.4Confident45 Ų4554.8 Ų54.827%0.27328%0.284SS..Hα-helixtrans-60-42.5177.8171.30000111.8M226 M252 S253 R254 H259 K260M226-V256 HydrophobicContact CE-CG2 4.36Å; M226-V256 VanDerWaalsContact CE-N 3.29Å; M226-V256 HydrophobicContact SD-CB 4.38Å; M226-V256 HydrophobicContact SD-CG2 3.55Å; M226-V256 VanDerWaalsContact SD-CG2 3.55Å; M226-V256 PolarHBondContact SD-N 3.12Å; M252-V256 WeakPolarHBondContact O-CG2 3.26Å; M252-V256 PolarHBondContact O-N 3.24Å; S253-V256 PolarHBondContact O-N 3.11Å; R254-V256 VanDerWaalsContact C-N 3.34Å; R254-V256 PolarHBondContact O-N 3.14Å; V256-H259 PolarHBondContact O-N 3.02Å; V256-K260 WeakPolarHBondContact O-CG 3.31Å; V256-K260 PolarHBondContact O-N 3.43Å
257S88.6Confident87.4Confident70 Ų7054.4 Ų54.449%0.4927%0.271SS..Hα-helixtrans-61.3-46.1176.3-64.50000111.2S253 R254 A255 H259 K260 E261S253-S257 PolarHBondContact O-N 2.8Å; S253-S257 VanDerWaalsContact O-N 3.16Å; S253-S257 PolarHBondContact O-OG 2.9Å; R254-S257 PolarHBondContact O-N 3.28Å; A255-S257 VanDerWaalsContact C-N 3.33Å; A255-S257 PolarHBondContact O-N 3.4Å; S257-H259 PolarHBondContact O-N 3Å; S257-K260 PolarHBondContact O-N 3.06Å; S257-E261 PolarHBondContact O-N 3.27Å
258R86.4Confident87.5Confident19 Ų1957.4 Ų57.47%0.07229%0.286CS..Hα-helixtrans-63.3-44.3177.6179.157.2172.8164.16.3112.5F32 T35 T196 R254 A255 K260 E261 V262F32-R258 HydrophobicContact CD1-CG 4.18Å; F32-R258 VanDerWaalsContact CD2-CD 3.49Å; F32-R258 HydrophobicContact CD2-CG 4.17Å; F32-R258 HydrophobicContact CE1-CB 4.32Å; F32-R258 HydrophobicContact CE1-CG 3.6Å; F32-R258 HydrophobicContact CE2-CB 3.62Å; F32-R258 VanDerWaalsContact CE2-CD 3.44Å; F32-R258 HydrophobicContact CE2-CG 3.6Å; F32-R258 HydrophobicContact CG-CG 4.42Å; F32-R258 HydrophobicContact CZ-CB 3.48Å; F32-R258 VanDerWaalsContact CZ-CB 3.48Å; F32-R258 HydrophobicContact CZ-CG 3.26Å; T35-R258 PolarHBondContact OG1-NH2 3.46Å; T196-R258 HydrophobicContact CG2-CB 3.99Å; T196-R258 HydrophobicContact CG2-CG 3.83Å; R254-R258 PolarHBondContact O-N 2.99Å; A255-R258 PolarHBondContact O-N 2.84Å; R258-K260 PolarHBondContact O-N 3.49Å; R258-E261 WeakPolarHBondContact CD-OE2 3.43Å; R258-E261 IonicContact CZ-OE2 3.95Å; R258-E261 IonicContact NH1-OE2 3.49Å; R258-E261 PolarHBondContact NH1-OE2 3.4Å; R258-E261 WeakPolarHBondContact O-CB 3.25Å; R258-E261 PolarHBondContact O-N 3.03Å; R258-V262 HydrophobicContact CG-CG2 3.99Å; R258-V262 WeakPolarHBondContact O-CG2 3.47Å; R258-V262 PolarHBondContact O-N 2.76Å
259H87.8Confident87.4Confident8 Ų857 Ų574%0.03729%0.285CS..Hα-helixtrans-53.3-43.3179.1177.7106.5000110.9N192 V194 M226 E228 A255 V256 S257 E261 V262 N263N192-H259 PolarHBondContact O-CE1 2.83Å; V194-H259 HydrophobicContact CB-CB 4.41Å; V194-H259 WeakPolarHBondContact CB-ND1 3.48Å; V194-H259 WeakPolarHBondContact CG2-ND1 3.2Å; M226-H259 HydrophobicContact CE-CB 3.72Å; M226-H259 PolarHBondContact O-CE1 2.9Å; M226-H259 VanDerWaalsContact O-CE1 3.24Å; M226-H259 PolarHBondContact O-ND1 3.25Å; E228-H259 VanDerWaalsContact CA-NE2 3.31Å; E228-H259 WeakPolarHBondContact CA-NE2 3.26Å; E228-H259 PolarHBondContact N-CE1 2.85Å; E228-H259 PolarHBondContact N-NE2 3.01Å; A255-H259 WeakPolarHBondContact O-CB 3.47Å; A255-H259 PolarHBondContact O-N 3.19Å; V256-H259 PolarHBondContact O-N 3.02Å; S257-H259 PolarHBondContact O-N 3Å; H259-E261 PolarHBondContact O-N 3.15Å; H259-V262 PolarHBondContact O-N 3.44Å; H259-N263 WeakPolarHBondContact O-CB 3.2Å; H259-N263 PolarHBondContact O-N 3.34Å
260K87.8Confident87.1Confident131 Ų13153 Ų5357%0.5727%0.267SS*.Hα-helixtrans-63.2-38.3176.8-68.3174.5-177.8176.90113.1V256 S257 R258 K264V256-K260 WeakPolarHBondContact O-CG 3.31Å; V256-K260 PolarHBondContact O-N 3.43Å; S257-K260 PolarHBondContact O-N 3.06Å; R258-K260 PolarHBondContact O-N 3.49Å; K260-K264 VanDerWaalsContact O-CG 3.26Å; K260-K264 WeakPolarHBondContact O-CG 3.35Å; K260-K264 PolarHBondContact O-N 3.29Å
261E87Confident86.8Confident97 Ų9756.1 Ų56.145%0.45328%0.28SS..Hα-helixtrans-66.5-47.4175.8-64.7172.9179.200111.4S257 R258 H259 N263 K264 L265S257-E261 PolarHBondContact O-N 3.27Å; R258-E261 WeakPolarHBondContact CD-OE2 3.43Å; R258-E261 IonicContact CZ-OE2 3.95Å; R258-E261 IonicContact NH1-OE2 3.49Å; R258-E261 PolarHBondContact NH1-OE2 3.4Å; R258-E261 WeakPolarHBondContact O-CB 3.25Å; R258-E261 PolarHBondContact O-N 3.03Å; H259-E261 PolarHBondContact O-N 3.15Å; E261-N263 VanDerWaalsContact C-N 3.33Å; E261-N263 PolarHBondContact O-N 3.27Å; E261-K264 PolarHBondContact O-N 3.12Å; E261-L265 WeakPolarHBondContact O-CG 3.37Å; E261-L265 PolarHBondContact O-N 2.95Å
262V86.7Confident86.5Confident7 Ų759.4 Ų59.44%0.04230%0.303CS..Hα-helixtrans-63-41.4-179.2174.50000111.1F154 V194 R258 H259 L265 L266F154-V262 HydrophobicContact CD2-CG1 3.47Å; F154-V262 VanDerWaalsContact CD2-CG1 3.47Å; F154-V262 HydrophobicContact CE1-CG1 4.31Å; F154-V262 HydrophobicContact CE2-CG1 3.17Å; F154-V262 HydrophobicContact CG-CG1 4.21Å; F154-V262 HydrophobicContact CZ-CG1 3.65Å; V194-V262 HydrophobicContact CG1-CB 4.15Å; V194-V262 HydrophobicContact CG1-CG1 3.95Å; V194-V262 HydrophobicContact CG1-CG2 4.24Å; V194-V262 HydrophobicContact CG2-CB 4.32Å; V194-V262 HydrophobicContact CG2-CG1 3.9Å; R258-V262 HydrophobicContact CG-CG2 3.99Å; R258-V262 WeakPolarHBondContact O-CG2 3.47Å; R258-V262 PolarHBondContact O-N 2.76Å; H259-V262 PolarHBondContact O-N 3.44Å; V262-L265 PolarHBondContact O-N 3.08Å; V262-L266 WeakPolarHBondContact O-CB 3.46Å; V262-L266 PolarHBondContact O-N 2.88Å
263N87.3Confident85.4Confident23 Ų2360.2 Ų60.212%0.12331%0.307CS..Hα-helixtrans-66.8-39.6178.8-155.226.8000111.8N192 E228 H259 E261 L265 L266 D267N192-N263 PolarHBondContact ND2-OD1 3.42Å; E228-N263 PolarHBondContact OE1-ND2 2.87Å; H259-N263 WeakPolarHBondContact O-CB 3.2Å; H259-N263 PolarHBondContact O-N 3.34Å; E261-N263 VanDerWaalsContact C-N 3.33Å; E261-N263 PolarHBondContact O-N 3.27Å; N263-L265 PolarHBondContact O-N 3.37Å; N263-L266 WeakPolarHBondContact O-CB 3.34Å; N263-L266 PolarHBondContact O-N 2.96Å; N263-D267 PolarHBondContact O-N 3.34Å
264K88.6Confident84.1Confident138 Ų13865.4 Ų65.460%0.632%0.322SS*.Hα-helixtrans-59.5-46.1172.3-74.4172.5-177.9-178.10112K260 E261 L266 D267 E268K260-K264 VanDerWaalsContact O-CG 3.26Å; K260-K264 WeakPolarHBondContact O-CG 3.35Å; K260-K264 PolarHBondContact O-N 3.29Å; E261-K264 PolarHBondContact O-N 3.12Å; K264-L266 VanDerWaalsContact C-N 3.3Å; K264-L266 PolarHBondContact O-N 3.2Å; K264-D267 PolarHBondContact O-N 2.84Å; K264-E268 WeakPolarHBondContact O-CB 2.98Å; K264-E268 WeakPolarHBondContact O-CG 3.39Å; K264-E268 PolarHBondContact O-N 3.03Å
265L87Confident82.2Confident57 Ų5769.6 Ų69.630%0.29834%0.344SS..Hα-helixtrans-60.6-42.1176.9-70.3172.6000111.4T35 E261 V262 N263 E268 V269T35-L265 WeakPolarHBondContact OG1-CD1 3.15Å; E261-L265 WeakPolarHBondContact O-CG 3.37Å; E261-L265 PolarHBondContact O-N 2.95Å; V262-L265 PolarHBondContact O-N 3.08Å; N263-L265 PolarHBondContact O-N 3.37Å; L265-E268 PolarHBondContact O-N 3.4Å; L265-V269 WeakPolarHBondContact O-CG2 3.34Å; L265-V269 PolarHBondContact O-N 2.97Å
266L85.2Confident80Confident2 Ų281.1 Ų81.11%0.0139%0.394CS..Hα-helixtrans-61.2-47176.8-168.589.2000111.2F154 A158 K161 V262 N263 K264 V269 I270F154-L266 HydrophobicContact CD2-CD1 4.4Å; F154-L266 HydrophobicContact CE2-CB 4.28Å; F154-L266 HydrophobicContact CE2-CD1 3.7Å; F154-L266 HydrophobicContact CZ-CD1 4.39Å; A158-L266 HydrophobicContact CB-CD1 3.98Å; K161-L266 HydrophobicContact CD-CD2 3.7Å; K161-L266 HydrophobicContact CD-CG 4.46Å; K161-L266 VanDerWaalsContact CE-CD2 3.5Å; V262-L266 WeakPolarHBondContact O-CB 3.46Å; V262-L266 PolarHBondContact O-N 2.88Å; N263-L266 WeakPolarHBondContact O-CB 3.34Å; N263-L266 PolarHBondContact O-N 2.96Å; K264-L266 VanDerWaalsContact C-N 3.3Å; K264-L266 PolarHBondContact O-N 3.2Å; L266-V269 PolarHBondContact O-N 3.4Å; L266-I270 HydrophobicContact CD2-CD1 4.25Å; L266-I270 HydrophobicContact CG-CD1 4Å; L266-I270 WeakPolarHBondContact O-CD1 3.21Å; L266-I270 VanDerWaalsContact O-CG1 3.23Å; L266-I270 WeakPolarHBondContact O-CG1 3.49Å; L266-I270 PolarHBondContact O-N 3.32Å
267D86.1Confident79.5Confident68 Ų6882.9 Ų82.936%0.36440%0.401SS..Hα-helixtrans-64-41.7179-73.4-29.3000112.3N263 K264 V269 I270 Q271N263-D267 PolarHBondContact O-N 3.34Å; K264-D267 PolarHBondContact O-N 2.84Å; D267-V269 VanDerWaalsContact C-N 3.35Å; D267-V269 PolarHBondContact O-N 3.45Å; D267-I270 PolarHBondContact O-N 3.41Å; D267-Q271 WeakPolarHBondContact O-CB 3.46Å; D267-Q271 WeakPolarHBondContact O-CG 3.26Å; D267-Q271 PolarHBondContact O-N 3.36Å
268E87Confident79Confident120 Ų12083.6 Ų83.656%0.56140%0.396SS*.Hα-helixtrans-59.8-44.7174.6-76176.7-178.300111.5K264 L265 Q271 S272K264-E268 WeakPolarHBondContact O-CB 2.98Å; K264-E268 WeakPolarHBondContact O-CG 3.39Å; K264-E268 PolarHBondContact O-N 3.03Å; L265-E268 PolarHBondContact O-N 3.4Å; E268-Q271 PolarHBondContact O-N 3.41Å; E268-S272 WeakPolarHBondContact O-CB 3.18Å; E268-S272 PolarHBondContact O-N 2.69Å
269V84.7Confident78.6Confident34 Ų3487.2 Ų87.221%0.20641%0.414CS..Hα-helixtrans-65.5-42.6178.6175.80000110.6V37 I39 L265 L266 D267 Q271 S272 M273V37-V269 HydrophobicContact CB-CG2 4.45Å; V37-V269 HydrophobicContact CG1-CG1 4.49Å; I39-V269 HydrophobicContact CB-CG1 4.5Å; I39-V269 HydrophobicContact CD1-CB 4.39Å; I39-V269 HydrophobicContact CD1-CG1 3.62Å; I39-V269 HydrophobicContact CG1-CG1 3.73Å; L265-V269 WeakPolarHBondContact O-CG2 3.34Å; L265-V269 PolarHBondContact O-N 2.97Å; L266-V269 PolarHBondContact O-N 3.4Å; D267-V269 VanDerWaalsContact C-N 3.35Å; D267-V269 PolarHBondContact O-N 3.45Å; V269-Q271 PolarHBondContact O-N 3.46Å; V269-S272 PolarHBondContact O-N 3.31Å; V269-S272 PolarHBondContact O-OG 3.09Å; V269-M273 WeakPolarHBondContact O-CB 3.42Å; V269-M273 PolarHBondContact O-N 2.96Å
270I82Confident78.1Confident36 Ų3691.8 Ų91.819%0.18544%0.436CS..Hα-helixtrans-62.7-42.9176.9-68.1162.1000111.3I39 K161 L266 D267 M273 K274I39-I270 HydrophobicContact CD1-CG1 4.02Å; K161-I270 HydrophobicContact CB-CD1 4.39Å; K161-I270 HydrophobicContact CD-CD1 3.46Å; K161-I270 VanDerWaalsContact CD-CD1 3.46Å; L266-I270 HydrophobicContact CD2-CD1 4.25Å; L266-I270 HydrophobicContact CG-CD1 4Å; L266-I270 WeakPolarHBondContact O-CD1 3.21Å; L266-I270 VanDerWaalsContact O-CG1 3.23Å; L266-I270 WeakPolarHBondContact O-CG1 3.49Å; L266-I270 PolarHBondContact O-N 3.32Å; D267-I270 PolarHBondContact O-N 3.41Å; I270-M273 PolarHBondContact O-N 3.3Å; I270-K274 PolarHBondContact O-N 3.39Å
271Q80.9Confident77.5Confident125 Ų12589.4 Ų89.458%0.58443%0.428SS*.Hα-helixtrans-63.7-43.7176.7-73.9-179.511.900111.6D267 E268 V269 M273 K274 H275D267-Q271 WeakPolarHBondContact O-CB 3.46Å; D267-Q271 WeakPolarHBondContact O-CG 3.26Å; D267-Q271 PolarHBondContact O-N 3.36Å; E268-Q271 PolarHBondContact O-N 3.41Å; V269-Q271 PolarHBondContact O-N 3.46Å; Q271-M273 PolarHBondContact O-N 3.21Å; Q271-K274 PolarHBondContact O-N 3.36Å; Q271-H275 PolarHBondContact O-CD2 3.21Å; Q271-H275 VanDerWaalsContact O-CD2 3.31Å; Q271-H275 PolarHBondContact O-N 3.02Å
272S79.1Confident76.8Confident70 Ų7088.9 Ų88.949%0.4943%0.426SS..Hα-helixtrans-60.2-30.7176.880.70000112.6E268 V269E268-S272 WeakPolarHBondContact O-CB 3.18Å; E268-S272 PolarHBondContact O-N 2.69Å; V269-S272 PolarHBondContact O-N 3.31Å; V269-S272 PolarHBondContact O-OG 3.09Å
273M67.1Low76.1Confident68 Ų6894.7 Ų94.734%0.33545%0.453SS..Hα-helixtrans-80.2-38.1-179.5-155.2-178.3-170.600112.5I39 V269 I270 Q271 H275 K276I39-M273 HydrophobicContact CB-CE 4.2Å; I39-M273 HydrophobicContact CB-SD 3.73Å; I39-M273 HydrophobicContact CG2-CE 4Å; I39-M273 HydrophobicContact CG2-SD 3.6Å; I39-M273 VanDerWaalsContact O-CE 3.23Å; I39-M273 WeakPolarHBondContact O-CE 3.46Å; V269-M273 WeakPolarHBondContact O-CB 3.42Å; V269-M273 PolarHBondContact O-N 2.96Å; I270-M273 PolarHBondContact O-N 3.3Å; Q271-M273 PolarHBondContact O-N 3.21Å; M273-H275 PolarHBondContact O-N 3.13Å; M273-K276 PolarHBondContact O-N 2.8Å
274K60.5Low75.3Confident170 Ų170100.2 Ų100.274%0.73948%0.479SS*.Hα-helixtrans-64.3-23.3174.8-75.1-176.2-179.9179.20113.6I270 Q271I270-K274 PolarHBondContact O-N 3.39Å; Q271-K274 PolarHBondContact O-N 3.36Å
275H47.6Very low74.2Confident173 Ų17397.1 Ų97.180%0.80147%0.469SS*.THydrogen-bonded Turntrans-88.3-7.9178.6-81.8-63.5000114.2Q271 M273Q271-H275 PolarHBondContact O-CD2 3.21Å; Q271-H275 VanDerWaalsContact O-CD2 3.31Å; Q271-H275 PolarHBondContact O-N 3.02Å; M273-H275 PolarHBondContact O-N 3.13Å
276K42.8Very low73Confident242 Ų242100.7 Ų100.7100%1.05248%0.484SS*.  trans-94.90172.2-84-179175.31750110.9M273M273-K276 PolarHBondContact O-N 2.8Å

Retrieved 276 of 276 residues in 77.6 ms (Link to these results)