G4VD96_SCHMA Loading...

Taspase-1 (T02 family)

AlphaFold DB , UniProt , Accession G4VD96, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 368 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M86.2Confident96Very high36 Ų364.2 Ų4.218%0.1773%0.025CC..  0139.60173.9-162.162.900109C3 D205 I206 V322 L339 I342 I368M1-C3 HydrophobicContact CE-CB 4.41Å; M1-D205 CarbonylContact C-O 3.53Å; M1-D205 PolarHBondContact N-O 2.73Å; M1-D205 VanDerWaalsContact N-O 3.11Å; M1-D205 CarbonylContact O-C 3.49Å; M1-I206 PolarHBondContact N-O 2.88Å; M1-V322 HydrophobicContact CE-CB 3.93Å; M1-V322 HydrophobicContact CE-CG1 4.24Å; M1-V322 HydrophobicContact CE-CG2 3.26Å; M1-L339 HydrophobicContact CE-CD2 3.72Å; M1-L339 HydrophobicContact CE-CG 4.42Å; M1-L339 HydrophobicContact SD-CD2 4.11Å; M1-I342 HydrophobicContact SD-CD1 4.39Å; M1-I368 HydrophobicContact CE-CD1 3.5Å; M1-I368 HydrophobicContact CE-CG1 4.42Å; M1-I368 HydrophobicContact CG-CD1 4.46Å; M1-I368 HydrophobicContact SD-CD1 3.2Å; M1-I368 WeakPolarHBondContact SD-CD1 3.46Å; M1-I368 HydrophobicContact SD-CG1 3.73Å
2A95.3Very high95.6Very high4 Ų48.8 Ų8.83%0.0334%0.042CC..  trans-71.5126.5175.900000113.8L36 I204 I206 P340A2-L36 HydrophobicContact CB-CB 3.53Å; A2-L36 HydrophobicContact CB-CD1 4.17Å; A2-L36 HydrophobicContact CB-CG 4.49Å; A2-I204 CarbonylContact C-O 3.6Å; A2-I204 VanDerWaalsContact CA-O 3.25Å; A2-I204 WeakPolarHBondContact CA-O 3.45Å; A2-I206 HydrophobicContact CB-CG2 4.5Å; A2-P340 HydrophobicContact CB-CG 4.16Å; A2-P340 WeakPolarHBondContact O-CD 3.41Å
3C98.1Very high95.4Very high0 Ų08.2 Ų8.20%04%0.039CC..EExtended strand (participates in β ladder)trans-136.3141169.3179.60000110M1 C203 I204 V322 L339M1-C3 HydrophobicContact CE-CB 4.41Å; C3-C203 CarbonylContact O-C 3.52Å; C3-C203 VanDerWaalsContact O-CA 3.23Å; C3-C203 WeakPolarHBondContact O-CA 3.35Å; C3-I204 HydrophobicContact CB-CB 4.16Å; C3-I204 HydrophobicContact CB-CD1 4.47Å; C3-I204 HydrophobicContact CB-CG1 4.49Å; C3-I204 PolarHBondContact N-O 2.86Å; C3-I204 PolarHBondContact O-N 2.9Å; C3-V322 HydrophobicContact CB-CG1 4.49Å; C3-L339 HydrophobicContact CB-CG 4.11Å
4V98.9Very high95.2Very high0 Ų08.5 Ų8.50%04%0.043CC..EExtended strand (participates in β ladder)trans-131132.7178.5-176.40000109.3V6 C29 A32 L36 H337 Y338V4-V6 HydrophobicContact CG1-CG1 4Å; V4-C29 HydrophobicContact CG1-CB 4.48Å; V4-A32 HydrophobicContact CG1-CB 3.84Å; V4-A32 HydrophobicContact CG2-CB 3.82Å; V4-L36 HydrophobicContact CG2-CD1 3.64Å; V4-H337 CarbonylContact O-C 3.59Å; V4-H337 WeakPolarHBondContact O-CA 3.43Å; V4-H337 WeakPolarHBondContact O-CB 3.47Å; V4-Y338 PolarHBondContact N-O 3.49Å; V4-Y338 PolarHBondContact O-N 3.43Å
5V98.9Very high95.1Very high0 Ų018.1 Ų18.10%08%0.084CC..EExtended strand (participates in β ladder)trans-127.6133.4171-177.70000108A201 V202 A308 V310 V324 F326 G336 H337V5-A201 CarbonylContact O-C 3.54Å; V5-A201 WeakPolarHBondContact O-CA 3.24Å; V5-V202 HydrophobicContact CB-CB 4.38Å; V5-V202 PolarHBondContact N-O 2.91Å; V5-V202 PolarHBondContact O-N 2.86Å; V5-A308 HydrophobicContact CG1-CB 4.19Å; V5-V310 HydrophobicContact CG2-CB 3.98Å; V5-V310 HydrophobicContact CG2-CG1 4.3Å; V5-V324 HydrophobicContact CG1-CG1 4.29Å; V5-V324 HydrophobicContact CG2-CB 4.36Å; V5-V324 HydrophobicContact CG2-CG1 3.68Å; V5-V324 HydrophobicContact CG2-CG2 3.87Å; V5-F326 HydrophobicContact CG1-CD1 4.42Å; V5-F326 HydrophobicContact CG1-CE1 3.43Å; V5-F326 VanDerWaalsContact CG1-CE1 3.43Å; V5-F326 HydrophobicContact CG1-CZ 3.81Å; V5-G336 CarbonylContact C-O 3.54Å; V5-G336 WeakPolarHBondContact CA-O 3.48Å; V5-H337 HydrophobicContact CG2-CB 4.26Å
6V98.9Very high95Very high0 Ų022.3 Ų22.30%012%0.116CC..EExtended strand (participates in β ladder)trans-135154.2177.1-55.10000111.4V4 C25 A28 C29 A50 L54 G200 A201 G336V4-V6 HydrophobicContact CG1-CG1 4Å; V6-C25 HydrophobicContact CG2-CB 3.89Å; V6-A28 HydrophobicContact CG1-CB 4.4Å; V6-C29 VanDerWaalsContact CG2-SG 3.54Å; V6-A50 HydrophobicContact CG1-CB 4.29Å; V6-L54 HydrophobicContact CB-CD1 4.43Å; V6-G200 CarbonylContact C-O 3.6Å; V6-G200 VanDerWaalsContact CA-O 3.29Å; V6-G200 WeakPolarHBondContact CA-O 3.37Å; V6-A201 HydrophobicContact CG1-CB 4.02Å; V6-G336 PolarHBondContact N-O 3.03Å; V6-G336 PolarHBondContact O-N 3.21Å
7H98.5Very high94.9Very high0 Ų023.2 Ų23.20%012%0.119CC..EExtended strand (participates in β ladder)trans-135.615316370.692000111.9T198 V199 G200 V251 A308 M333 S334 V335H7-T198 PolarHBondContact CE1-O 2.84Å; H7-T198 PolarHBondContact ND1-O 2.81Å; H7-V199 WeakPolarHBondContact O-CA 3.48Å; H7-G200 PolarHBondContact CE1-N 2.87Å; H7-G200 PolarHBondContact N-O 2.79Å; H7-G200 WeakPolarHBondContact NE2-CA 3.21Å; H7-G200 PolarHBondContact NE2-N 2.85Å; H7-G200 PolarHBondContact O-N 3.07Å; H7-V251 WeakPolarHBondContact CD2-CG2 3.27Å; H7-V251 WeakPolarHBondContact NE2-CG2 3.41Å; H7-A308 HydrophobicContact CB-CB 4.41Å; H7-M333 HydrophobicContact CB-CE 3.62Å; H7-S334 CarbonylContact C-O 3.58Å; H7-S334 WeakPolarHBondContact CA-O 3.44Å; H7-S334 WeakPolarHBondContact CB-O 3.44Å; H7-V335 HydrophobicContact CB-CG1 4.5Å
8A97Very high95Very high0 Ų025.1 Ų25.10%013%0.127CC..EExtended strand (participates in β ladder)trans-118.333.5176.500000112.7H13 Y21 T60 S334A8-H13 PolarHBondContact O-NE2 3.01Å; A8-Y21 HydrophobicContact CB-CD1 4.13Å; A8-T60 HydrophobicContact CB-CG2 4.46Å; A8-S334 PolarHBondContact N-O 3.11Å
9G95.5Very high95.2Very high0 Ų033.5 Ų33.50%016%0.162CC..EExtended strand (participates in β ladder)trans118.5149.2173.800000113.7H13 T198 M333 S334G9-H13 PolarHBondContact O-CE1 2.94Å; G9-T198 VanDerWaalsContact CA-O 3.23Å; G9-T198 WeakPolarHBondContact CA-O 3.44Å; G9-T198 PolarHBondContact N-O 2.65Å; G9-T198 VanDerWaalsContact N-O 3.16Å; G9-M333 VanDerWaalsContact O-CA 3.31Å; G9-M333 WeakPolarHBondContact O-CA 3.27Å; G9-M333 VanDerWaalsContact O-CG 3.3Å; G9-M333 WeakPolarHBondContact O-CG 3.38Å; G9-S334 PolarHBondContact O-N 2.76Å; G9-S334 VanDerWaalsContact O-N 3.1Å
10A95.6Very high95.3Very high0 Ų038.6 Ų38.60%018%0.184CC..EExtended strand (participates in β ladder)trans-118.8114.4167.500000108.5F196 S253 T330 M333A10-F196 PolarHBondContact N-O 2.95Å; A10-F196 VanDerWaalsContact O-CB 3.28Å; A10-F196 WeakPolarHBondContact O-CB 3.3Å; A10-S253 PolarHBondContact N-OG 2.87Å; A10-T330 HydrophobicContact CB-CG2 4.01Å; A10-M333 HydrophobicContact CB-CB 4.2Å; A10-M333 HydrophobicContact CB-CG 3.84Å; A10-M333 HydrophobicContact CB-SD 4.02Å
11G93.3Very high95.4Very high6 Ų637 Ų376%0.06218%0.176CC..EExtended strand (participates in β ladder)trans174.8-107.4-172.700000110T330 R331 S332G11-T330 PolarHBondContact N-OG1 3Å; G11-R331 WeakPolarHBondContact O-CB 3.23Å; G11-R331 PolarHBondContact O-N 3.35Å; G11-S332 CarbonylContact C-O 3.55Å; G11-S332 PolarHBondContact N-O 3.34Å; G11-S332 PolarHBondContact O-N 3.17Å; G11-S332 PolarHBondContact O-OG 3.24Å
12Y91.7Very high95.9Very high60 Ų6036.8 Ų36.824%0.23518%0.176CC..  trans-138123177.9175.4-96.6000112.1F179 V193 R331 S332Y12-F179 AromaticContact CD1-CE1 3.86Å; Y12-F179 HydrophobicContact CD1-CE1 3.86Å; Y12-F179 HydrophobicContact CD1-CZ 4.1Å; Y12-F179 HydrophobicContact CE1-CD1 4.08Å; Y12-F179 AromaticContact CE1-CE1 3.29Å; Y12-F179 HydrophobicContact CE1-CE1 3.29Å; Y12-F179 AromaticContact CE1-CZ 3.82Å; Y12-F179 HydrophobicContact CE1-CZ 3.82Å; Y12-V193 HydrophobicContact CD1-CG1 3.74Å; Y12-V193 HydrophobicContact CG-CG1 3.96Å; Y12-R331 HydrophobicContact CD2-CB 4.42Å; Y12-S332 VanDerWaalsContact CA-OG 3.29Å; Y12-S332 WeakPolarHBondContact CA-OG 3.43Å
13H92.9Very high96.1Very high1 Ų142.9 Ų42.91%0.00520%0.201CC..  trans-117.2113.3176-57.277.1000109.2A8 G9 Y21 S332 S334 V350 R352A8-H13 PolarHBondContact O-NE2 3.01Å; G9-H13 PolarHBondContact O-CE1 2.94Å; H13-Y21 HydrophobicContact CB-CD2 4.38Å; H13-Y21 HydrophobicContact CB-CE2 4.32Å; H13-Y21 AromaticContact CD2-CD1 3.75Å; H13-Y21 AromaticContact CD2-CD2 3.8Å; H13-Y21 AromaticContact CD2-CE1 3.57Å; H13-Y21 AromaticContact CD2-CE2 3.63Å; H13-Y21 AromaticContact CD2-CG 3.86Å; H13-Y21 AromaticContact CD2-CZ 3.52Å; H13-Y21 AromaticContact NE2-CE1 4Å; H13-S332 PolarHBondContact N-OG 2.87Å; H13-S332 PolarHBondContact ND1-OG 2.99Å; H13-S334 PolarHBondContact CE1-N 2.88Å; H13-S334 WeakPolarHBondContact NE2-CB 3.47Å; H13-V350 HydrophobicContact CB-CG1 3.71Å; H13-V350 HydrophobicContact CB-CG2 4.26Å; H13-R352 PolarHBondContact O-NH1 3.49Å; H13-R352 PolarHBondContact O-NH2 2.72Å
14S92Very high96.1Very high12 Ų1243.2 Ų43.28%0.08420%0.203CC..  trans-61137.6177.558.20000111.1S16 K17 E18S14-S16 PolarHBondContact O-N 3.42Å; S14-S16 VanDerWaalsContact O-N 3.14Å; S14-S16 PolarHBondContact OG-OG 2.94Å; S14-K17 PolarHBondContact O-N 3.05Å; S14-K17 WeakPolarHBondContact OG-CB 3.19Å; S14-K17 WeakPolarHBondContact OG-CG 3.4Å; S14-E18 PolarHBondContact O-N 3.38Å
15K93.6Very high96.1Very high152 Ų15243.2 Ų43.266%0.66120%0.203SC*.G310 helixtrans-54.1-34.4177.2-70.3-175.6176.51800112.8K17 E18K15-K17 VanDerWaalsContact C-N 3.25Å; K15-K17 PolarHBondContact O-N 2.9Å; K15-E18 VanDerWaalsContact O-CB 3.31Å; K15-E18 WeakPolarHBondContact O-CB 3.29Å; K15-E18 PolarHBondContact O-N 3.12Å
16S94.6Very high96.1Very high85 Ų8544.8 Ų44.859%0.59421%0.214SC*.G310 helixtrans-64.3-24.8177.659.10000114.3S14S14-S16 PolarHBondContact O-N 3.42Å; S14-S16 VanDerWaalsContact O-N 3.14Å; S14-S16 PolarHBondContact OG-OG 2.94Å
17K93.3Very high96.1Very high39 Ų3948 Ų4817%0.1723%0.229CC..G310 helixtrans-101.3-5.3178.7-65.3-178.3-179.3-1760113.1S14 K15 K19 K20 Y21 L59S14-K17 PolarHBondContact O-N 3.05Å; S14-K17 WeakPolarHBondContact OG-CB 3.19Å; S14-K17 WeakPolarHBondContact OG-CG 3.4Å; K15-K17 VanDerWaalsContact C-N 3.25Å; K15-K17 PolarHBondContact O-N 2.9Å; K17-K19 VanDerWaalsContact C-N 3.33Å; K17-K19 PolarHBondContact O-N 3.47Å; K17-K20 WeakPolarHBondContact O-CA 3.36Å; K17-K20 WeakPolarHBondContact O-CB 3.45Å; K17-K20 PolarHBondContact O-N 3.03Å; K17-Y21 HydrophobicContact CB-CD2 3.99Å; K17-Y21 HydrophobicContact CB-CE2 3.83Å; K17-Y21 WeakPolarHBondContact O-CD2 3.33Å; K17-Y21 PolarHBondContact O-N 2.68Å; K17-Y21 VanDerWaalsContact O-N 3.11Å; K17-L59 HydrophobicContact CB-CD1 4.49Å; K17-L59 HydrophobicContact CD-CD1 3.89Å
18E96.1Very high96.1Very high56 Ų5648 Ų4826%0.26223%0.229SC..Hα-helixtrans-54.4-45.3-174.7-174.1168.4135.600112.7S14 K15 K20 Y21 N22 V350 R352S14-E18 PolarHBondContact O-N 3.38Å; K15-E18 VanDerWaalsContact O-CB 3.31Å; K15-E18 WeakPolarHBondContact O-CB 3.29Å; K15-E18 PolarHBondContact O-N 3.12Å; E18-K20 PolarHBondContact O-N 3.36Å; E18-Y21 PolarHBondContact O-N 2.91Å; E18-N22 VanDerWaalsContact O-CG 3.3Å; E18-N22 PolarHBondContact O-N 3.45Å; E18-N22 PolarHBondContact O-OD1 3.38Å; E18-V350 HydrophobicContact CG-CB 4.03Å; E18-V350 HydrophobicContact CG-CG2 3.79Å; E18-R352 IonicContact OE2-CZ 2.79Å; E18-R352 IonicContact OE2-NE 3.95Å; E18-R352 IonicContact OE2-NH2 2.84Å; E18-R352 PolarHBondContact OE2-NH2 3.44Å
19K97.9Very high96.2Very high185 Ų18548 Ų4880%0.80423%0.229SC*.Hα-helixtrans-58.4-33.1175.7-67.5-174.5179.5-178.80113.2K17 K23K17-K19 VanDerWaalsContact C-N 3.33Å; K17-K19 PolarHBondContact O-N 3.47Å; K19-K23 WeakPolarHBondContact O-CB 3.31Å; K19-K23 PolarHBondContact O-N 3.47Å
20K97.3Very high96.3Very high135 Ų13550.3 Ų50.359%0.58725%0.245SC*.Hα-helixtrans-73.7-42.7178.4-59.8-176.3176.4-1760111.1K17 E18 K23 L24 L59K17-K20 WeakPolarHBondContact O-CA 3.36Å; K17-K20 WeakPolarHBondContact O-CB 3.45Å; K17-K20 PolarHBondContact O-N 3.03Å; E18-K20 PolarHBondContact O-N 3.36Å; K20-K23 PolarHBondContact O-N 3.14Å; K20-L24 WeakPolarHBondContact O-CB 3.47Å; K20-L24 PolarHBondContact O-N 3.43Å; K20-L59 HydrophobicContact CB-CD2 3.7Å
21Y97.1Very high96.5Very high5 Ų552.7 Ų52.72%0.0226%0.258CS..Hα-helixtrans-62.6-46.6174.3-78.8-71.3000111.8A8 H13 K17 E18 K23 L24 C25 L59 S334A8-Y21 HydrophobicContact CB-CD1 4.13Å; H13-Y21 HydrophobicContact CB-CD2 4.38Å; H13-Y21 HydrophobicContact CB-CE2 4.32Å; H13-Y21 AromaticContact CD2-CD1 3.75Å; H13-Y21 AromaticContact CD2-CD2 3.8Å; H13-Y21 AromaticContact CD2-CE1 3.57Å; H13-Y21 AromaticContact CD2-CE2 3.63Å; H13-Y21 AromaticContact CD2-CG 3.86Å; H13-Y21 AromaticContact CD2-CZ 3.52Å; H13-Y21 AromaticContact NE2-CE1 4Å; K17-Y21 HydrophobicContact CB-CD2 3.99Å; K17-Y21 HydrophobicContact CB-CE2 3.83Å; K17-Y21 WeakPolarHBondContact O-CD2 3.33Å; K17-Y21 PolarHBondContact O-N 2.68Å; K17-Y21 VanDerWaalsContact O-N 3.11Å; E18-Y21 PolarHBondContact O-N 2.91Å; Y21-K23 VanDerWaalsContact C-N 3.34Å; Y21-K23 PolarHBondContact O-N 2.96Å; Y21-L24 WeakPolarHBondContact O-CB 3.24Å; Y21-L24 PolarHBondContact O-N 2.92Å; Y21-C25 PolarHBondContact O-N 3.02Å; Y21-L59 HydrophobicContact CD1-CD2 3.66Å; Y21-L59 HydrophobicContact CD1-CG 4.1Å; Y21-L59 HydrophobicContact CD2-CD2 3.96Å; Y21-L59 HydrophobicContact CD2-CG 4.45Å; Y21-L59 HydrophobicContact CE1-CD1 4.34Å; Y21-L59 HydrophobicContact CE1-CD2 3.75Å; Y21-L59 HydrophobicContact CE1-CG 3.63Å; Y21-L59 HydrophobicContact CE2-CD1 3.87Å; Y21-L59 HydrophobicContact CE2-CD2 4.03Å; Y21-L59 HydrophobicContact CE2-CG 4.01Å; Y21-L59 HydrophobicContact CG-CD2 3.77Å; Y21-L59 HydrophobicContact CG-CG 4.48Å; Y21-L59 PolarHBondContact OH-O 3.46Å; Y21-S334 WeakPolarHBondContact CB-OG 3.1Å
22N98.4Very high96.8Very high33 Ų3352.4 Ų52.418%0.17626%0.255CS..Hα-helixtrans-60.3-44.5177-67.3-0.3000111.5E18 S26 V348 H349E18-N22 VanDerWaalsContact O-CG 3.3Å; E18-N22 PolarHBondContact O-N 3.45Å; E18-N22 PolarHBondContact O-OD1 3.38Å; N22-S26 VanDerWaalsContact O-CB 3.28Å; N22-S26 WeakPolarHBondContact O-CB 3.34Å; N22-S26 PolarHBondContact O-N 3.17Å; N22-V348 HydrophobicContact CB-CB 4.38Å; N22-V348 HydrophobicContact CB-CG2 3.89Å; N22-V348 WeakPolarHBondContact O-CG2 3.41Å; N22-H349 VanDerWaalsContact OD1-CA 3.31Å; N22-H349 WeakPolarHBondContact OD1-CA 3.43Å
23K98.6Very high97.1Very high131 Ų13149.5 Ų49.557%0.5724%0.244SC*.Hα-helixtrans-59.9-47.9175.5-179176.5174.41800111.3K19 K20 Y21 S26 E27K19-K23 WeakPolarHBondContact O-CB 3.31Å; K19-K23 PolarHBondContact O-N 3.47Å; K20-K23 PolarHBondContact O-N 3.14Å; Y21-K23 VanDerWaalsContact C-N 3.34Å; Y21-K23 PolarHBondContact O-N 2.96Å; K23-S26 WeakPolarHBondContact O-CB 3.47Å; K23-S26 PolarHBondContact O-N 3.44Å; K23-E27 WeakPolarHBondContact CE-OE1 3.48Å; K23-E27 HydrophobicContact CG-CG 4.45Å; K23-E27 IonicContact NZ-OE1 3.27Å; K23-E27 WeakPolarHBondContact O-CG 3.33Å; K23-E27 PolarHBondContact O-N 3.29Å
24L98.3Very high97.4Very high8 Ų855 Ų554%0.04226%0.264CS..Hα-helixtrans-58.7-51.2179.7176.263.9000112.1K20 Y21 S26 E27 A28 Y53 L54 C57 L59 T60K20-L24 WeakPolarHBondContact O-CB 3.47Å; K20-L24 PolarHBondContact O-N 3.43Å; Y21-L24 WeakPolarHBondContact O-CB 3.24Å; Y21-L24 PolarHBondContact O-N 2.92Å; L24-S26 VanDerWaalsContact C-N 3.28Å; L24-S26 PolarHBondContact O-N 3.06Å; L24-E27 PolarHBondContact O-N 2.95Å; L24-A28 PolarHBondContact O-N 3.36Å; L24-Y53 HydrophobicContact CD1-CD1 4.05Å; L24-Y53 HydrophobicContact CD1-CE1 3.86Å; L24-L54 HydrophobicContact CD1-CD2 3.92Å; L24-L54 HydrophobicContact CD2-CD2 3.98Å; L24-L54 HydrophobicContact CG-CD2 3.6Å; L24-C57 HydrophobicContact CD1-CB 3.64Å; L24-C57 HydrophobicContact CD2-CB 3.97Å; L24-C57 HydrophobicContact CG-CB 4.48Å; L24-L59 HydrophobicContact CD2-CD2 4.44Å; L24-T60 HydrophobicContact CD2-CG2 3.48Å; L24-T60 VanDerWaalsContact CD2-CG2 3.48Å
25C98.6Very high97.7Very high0 Ų055.6 Ų55.60%027%0.266CS..Hα-helixtrans-61.8-37.8176.8-70.20000111.6V6 Y21 A28 C29 S334 V348V6-C25 HydrophobicContact CG2-CB 3.89Å; Y21-C25 PolarHBondContact O-N 3.02Å; C25-A28 PolarHBondContact O-N 3.31Å; C25-C29 WeakPolarHBondContact O-CB 3.35Å; C25-C29 PolarHBondContact O-N 3.3Å; C25-C29 PolarHBondContact O-SG 3.15Å; C25-C29 VanDerWaalsContact O-SG 3.39Å; C25-S334 PolarHBondContact SG-OG 2.83Å; C25-V348 HydrophobicContact CB-CB 4.48Å; C25-V348 HydrophobicContact CB-CG1 3.88Å
26S98.8Very high97.9Very high32 Ų3248.4 Ų48.422%0.22424%0.235CC..Hα-helixtrans-65.6-44.6179.6-175.60000110.9N22 K23 L24 C29 S30 P346N22-S26 VanDerWaalsContact O-CB 3.28Å; N22-S26 WeakPolarHBondContact O-CB 3.34Å; N22-S26 PolarHBondContact O-N 3.17Å; K23-S26 WeakPolarHBondContact O-CB 3.47Å; K23-S26 PolarHBondContact O-N 3.44Å; L24-S26 VanDerWaalsContact C-N 3.28Å; L24-S26 PolarHBondContact O-N 3.06Å; S26-C29 PolarHBondContact O-N 3.27Å; S26-S30 WeakPolarHBondContact O-CB 3.33Å; S26-S30 PolarHBondContact O-N 3.26Å; S26-S30 PolarHBondContact O-OG 3.3Å; S26-P346 WeakPolarHBondContact O-CG 3.47Å
27E98.8Very high98.1Very high68 Ų6846.4 Ų46.432%0.31822%0.221SC..Hα-helixtrans-67.4-40.2179.6-71172.2163.700111.6K23 L24 S30 L31 Y53K23-E27 WeakPolarHBondContact CE-OE1 3.48Å; K23-E27 HydrophobicContact CG-CG 4.45Å; K23-E27 IonicContact NZ-OE1 3.27Å; K23-E27 WeakPolarHBondContact O-CG 3.33Å; K23-E27 PolarHBondContact O-N 3.29Å; L24-E27 PolarHBondContact O-N 2.95Å; E27-S30 PolarHBondContact O-N 3.39Å; E27-L31 WeakPolarHBondContact O-CB 3.27Å; E27-L31 PolarHBondContact O-N 3.13Å; E27-Y53 HydrophobicContact CB-CD1 4.47Å; E27-Y53 HydrophobicContact CB-CE1 3.46Å; E27-Y53 VanDerWaalsContact CB-CE1 3.46Å; E27-Y53 WeakPolarHBondContact CB-OH 3.43Å; E27-Y53 VanDerWaalsContact CD-OH 3.23Å; E27-Y53 PolarHBondContact OE2-OH 3.44Å
28A98.8Very high98.3Very high0 Ų049 Ų490%024%0.24CC..Hα-helixtrans-60.4-46172.900000111.8V6 L24 C25 L31 A32 Y53 L54V6-A28 HydrophobicContact CG1-CB 4.4Å; L24-A28 PolarHBondContact O-N 3.36Å; C25-A28 PolarHBondContact O-N 3.31Å; A28-L31 PolarHBondContact O-N 3.32Å; A28-A32 PolarHBondContact O-N 2.8Å; A28-A32 VanDerWaalsContact O-N 3.1Å; A28-Y53 HydrophobicContact CB-CD1 3.95Å; A28-L54 HydrophobicContact CB-CD2 3.86Å; A28-L54 HydrophobicContact CB-CG 4.09Å
29C98.9Very high98.4Very high0 Ų049.4 Ų49.40%024%0.244CC..Hα-helixtrans-61-44.7175.3-800000112.6V4 V6 C25 S26 G33 P346V4-C29 HydrophobicContact CG1-CB 4.48Å; V6-C29 VanDerWaalsContact CG2-SG 3.54Å; C25-C29 WeakPolarHBondContact O-CB 3.35Å; C25-C29 PolarHBondContact O-N 3.3Å; C25-C29 PolarHBondContact O-SG 3.15Å; C25-C29 VanDerWaalsContact O-SG 3.39Å; S26-C29 PolarHBondContact O-N 3.27Å; C29-G33 PolarHBondContact O-N 3.05Å; C29-P346 HydrophobicContact CB-CB 3.69Å; C29-P346 HydrophobicContact CB-CG 3.65Å
30S98.8Very high98.3Very high49 Ų4946.5 Ų46.534%0.34323%0.233SC..Hα-helixtrans-65.7-40.1179-71.40000112.4S26 E27 R34 P346S26-S30 WeakPolarHBondContact O-CB 3.33Å; S26-S30 PolarHBondContact O-N 3.26Å; S26-S30 PolarHBondContact O-OG 3.3Å; E27-S30 PolarHBondContact O-N 3.39Å; S30-R34 WeakPolarHBondContact O-CB 3.35Å; S30-R34 PolarHBondContact O-N 3.26Å; S30-P346 VanDerWaalsContact OG-CG 3.31Å; S30-P346 WeakPolarHBondContact OG-CG 3.48Å
31L98.9Very high98.4Very high49 Ų4945 Ų4526%0.25723%0.227SC..Hα-helixtrans-59.2-54.8175.8172.960.5000110.8E27 A28 G33 R34 L35 A49 Y53E27-L31 WeakPolarHBondContact O-CB 3.27Å; E27-L31 PolarHBondContact O-N 3.13Å; A28-L31 PolarHBondContact O-N 3.32Å; L31-G33 PolarHBondContact O-N 2.97Å; L31-R34 PolarHBondContact O-N 2.91Å; L31-L35 HydrophobicContact CD1-CD1 4.37Å; L31-L35 HydrophobicContact CG-CD1 4.42Å; L31-L35 WeakPolarHBondContact O-CG 3.23Å; L31-L35 PolarHBondContact O-N 3.48Å; L31-L35 VanDerWaalsContact O-N 3.16Å; L31-A49 HydrophobicContact CD2-CB 4.18Å; L31-A49 HydrophobicContact CG-CB 4.36Å; L31-Y53 HydrophobicContact CD2-CD2 3.98Å; L31-Y53 HydrophobicContact CD2-CG 4.21Å
32A98.9Very high98.5Very high0 Ų046.6 Ų46.60%024%0.238CC..Hα-helixtrans-65.6-40.6-179.200000111.4V4 A28 R34 L35 L36 A46 A50V4-A32 HydrophobicContact CG1-CB 3.84Å; V4-A32 HydrophobicContact CG2-CB 3.82Å; A28-A32 PolarHBondContact O-N 2.8Å; A28-A32 VanDerWaalsContact O-N 3.1Å; A32-R34 VanDerWaalsContact C-N 3.33Å; A32-R34 PolarHBondContact O-N 3.5Å; A32-L35 WeakPolarHBondContact O-CB 3.29Å; A32-L35 PolarHBondContact O-N 2.89Å; A32-L36 VanDerWaalsContact O-CG 3.26Å; A32-L36 WeakPolarHBondContact O-CG 3.46Å; A32-L36 PolarHBondContact O-N 3.49Å; A32-A46 HydrophobicContact CB-CB 4.23Å; A32-A50 HydrophobicContact CB-CB 4.05Å
33G98.7Very high98.5Very high0 Ų045.1 Ų45.10%023%0.231CC..Hα-helixtrans-58.6-43.2177.700000112.5C29 L31 L36 S37C29-G33 PolarHBondContact O-N 3.05Å; L31-G33 PolarHBondContact O-N 2.97Å; G33-L36 PolarHBondContact O-N 2.99Å; G33-S37 WeakPolarHBondContact O-CB 3.32Å; G33-S37 PolarHBondContact O-N 3.24Å; G33-S37 PolarHBondContact O-OG 3.21Å
34R98.5Very high98.5Very high115 Ų11539.7 Ų39.743%0.43421%0.208SC..Hα-helixtrans-64.4-43.7175.6-174.7-177.563.974.48.8112S30 L31 A32 L36 V38 D39S30-R34 WeakPolarHBondContact O-CB 3.35Å; S30-R34 PolarHBondContact O-N 3.26Å; L31-R34 PolarHBondContact O-N 2.91Å; A32-R34 VanDerWaalsContact C-N 3.33Å; A32-R34 PolarHBondContact O-N 3.5Å; R34-L36 VanDerWaalsContact C-N 3.26Å; R34-L36 PolarHBondContact O-N 3.46Å; R34-V38 HydrophobicContact CG-CB 4.11Å; R34-V38 HydrophobicContact CG-CG2 4.15Å; R34-V38 WeakPolarHBondContact O-CA 3.5Å; R34-V38 WeakPolarHBondContact O-CB 3.32Å; R34-V38 PolarHBondContact O-N 2.95Å; R34-D39 IonicContact CZ-OD2 2.75Å; R34-D39 IonicContact NH1-OD1 3.43Å; R34-D39 PolarHBondContact NH1-OD1 3.11Å; R34-D39 IonicContact NH1-OD2 3.47Å; R34-D39 PolarHBondContact NH1-OD2 3.04Å; R34-D39 IonicContact NH2-OD2 3.5Å; R34-D39 PolarHBondContact O-N 3.09Å; R34-D39 VanDerWaalsContact O-N 3.11Å
35L98.8Very high98.5Very high26 Ų2641.3 Ų41.314%0.13622%0.217CC..Hα-helixtrans-57.5-42.6177.1-71.4170000111.1L31 A32 D39 H40 K41 A49L31-L35 HydrophobicContact CD1-CD1 4.37Å; L31-L35 HydrophobicContact CG-CD1 4.42Å; L31-L35 WeakPolarHBondContact O-CG 3.23Å; L31-L35 PolarHBondContact O-N 3.48Å; L31-L35 VanDerWaalsContact O-N 3.16Å; A32-L35 WeakPolarHBondContact O-CB 3.29Å; A32-L35 PolarHBondContact O-N 2.89Å; L35-D39 CarbonylContact O-C 3.55Å; L35-H40 PolarHBondContact O-N 3.07Å; L35-H40 VanDerWaalsContact O-N 3.15Å; L35-K41 HydrophobicContact CB-CB 4.21Å; L35-K41 HydrophobicContact CB-CG 4.43Å; L35-K41 HydrophobicContact CD2-CG 4.19Å; L35-K41 WeakPolarHBondContact O-CB 3.39Å; L35-K41 PolarHBondContact O-N 3.22Å; L35-A49 HydrophobicContact CD1-CB 3.31Å
36L98.4Very high98.5Very high0 Ų041.3 Ų41.30%022%0.217CC..Hα-helixtrans-73.8-48.6-179.6-63.1170000112.8A2 V4 A32 G33 R34 A46 C203 D205 I206A2-L36 HydrophobicContact CB-CB 3.53Å; A2-L36 HydrophobicContact CB-CD1 4.17Å; A2-L36 HydrophobicContact CB-CG 4.49Å; V4-L36 HydrophobicContact CG2-CD1 3.64Å; A32-L36 VanDerWaalsContact O-CG 3.26Å; A32-L36 WeakPolarHBondContact O-CG 3.46Å; A32-L36 PolarHBondContact O-N 3.49Å; G33-L36 PolarHBondContact O-N 2.99Å; R34-L36 VanDerWaalsContact C-N 3.26Å; R34-L36 PolarHBondContact O-N 3.46Å; L36-A46 HydrophobicContact CD1-CB 3.95Å; L36-A46 HydrophobicContact CD2-CB 3.39Å; L36-A46 HydrophobicContact CG-CB 3.57Å; L36-C203 HydrophobicContact CD1-CB 4.07Å; L36-D205 HydrophobicContact CD2-CB 3.67Å; L36-I206 WeakPolarHBondContact O-CG2 3.46Å
37S97.4Very high98.5Very high43 Ų4339.8 Ų39.830%0.30121%0.206SC..Hα-helixtrans-91.5-26.7-167.773.10000114.8G33G33-S37 WeakPolarHBondContact O-CB 3.32Å; G33-S37 PolarHBondContact O-N 3.24Å; G33-S37 PolarHBondContact O-OG 3.21Å
38V97.6Very high98.5Very high94 Ų9438.1 Ų38.157%0.5720%0.198SC*.THydrogen-bonded Turntrans-108.4-47.5-177.3-176.60000110.7R34 H40R34-V38 HydrophobicContact CG-CB 4.11Å; R34-V38 HydrophobicContact CG-CG2 4.15Å; R34-V38 WeakPolarHBondContact O-CA 3.5Å; R34-V38 WeakPolarHBondContact O-CB 3.32Å; R34-V38 PolarHBondContact O-N 2.95Å; V38-H40 VanDerWaalsContact C-N 3.32Å
39D98.3Very high98.5Very high64 Ų6439.1 Ų39.134%0.34221%0.206SC..SBendtrans-88.9-2.3-175.4-53.1-12.4000112.4R34 L35 K41R34-D39 IonicContact CZ-OD2 2.75Å; R34-D39 IonicContact NH1-OD1 3.43Å; R34-D39 PolarHBondContact NH1-OD1 3.11Å; R34-D39 IonicContact NH1-OD2 3.47Å; R34-D39 PolarHBondContact NH1-OD2 3.04Å; R34-D39 IonicContact NH2-OD2 3.5Å; R34-D39 PolarHBondContact O-N 3.09Å; R34-D39 VanDerWaalsContact O-N 3.11Å; L35-D39 CarbonylContact O-C 3.55Å; D39-K41 HydrophobicContact CB-CG 4.06Å; D39-K41 PolarHBondContact O-N 3.4Å
40H97.6Very high98.5Very high125 Ų12539.1 Ų39.158%0.57921%0.206SC*.  trans4939.5-179.5-57.9-58.8000113.8L35 V38 I206L35-H40 PolarHBondContact O-N 3.07Å; L35-H40 VanDerWaalsContact O-N 3.15Å; V38-H40 VanDerWaalsContact C-N 3.32Å; H40-I206 HydrophobicContact CB-CD1 4.36Å; H40-I206 VanDerWaalsContact ND1-CD1 3.29Å; H40-I206 WeakPolarHBondContact ND1-CD1 3.44Å
41K98.6Very high98.5Very high103 Ų10336.8 Ų36.845%0.44819%0.19SC..  trans-80.7158.1175.8-65.5-65.3-176178.70111.7L35 D39 D45L35-K41 HydrophobicContact CB-CB 4.21Å; L35-K41 HydrophobicContact CB-CG 4.43Å; L35-K41 HydrophobicContact CD2-CG 4.19Å; L35-K41 WeakPolarHBondContact O-CB 3.39Å; L35-K41 PolarHBondContact O-N 3.22Å; D39-K41 HydrophobicContact CB-CG 4.06Å; D39-K41 PolarHBondContact O-N 3.4Å; K41-D45 HydrophobicContact CB-CB 4.03Å
42S98.3Very high98.5Very high38 Ų3834.8 Ų34.827%0.26618%0.18SC..  trans-68.7160.2-179.269.60000112I44 D45 A46S42-I44 PolarHBondContact O-N 3.29Å; S42-I44 PolarHBondContact OG-N 2.6Å; S42-D45 PolarHBondContact N-OD2 2.79Å; S42-D45 PolarHBondContact O-N 2.77Å; S42-D45 PolarHBondContact OG-N 3.42Å; S42-D45 PolarHBondContact OG-OD2 3.1Å; S42-A46 PolarHBondContact O-N 2.77Å; S42-A46 VanDerWaalsContact O-N 3.11Å
43A98.6Very high98.5Very high2 Ų238.5 Ų38.52%0.01720%0.195CC..Hα-helixtrans-55-35170.900000112.8A46 V47 C203 D205 K209 A211A43-A46 PolarHBondContact O-N 3.29Å; A43-V47 PolarHBondContact O-N 2.99Å; A43-C203 HydrophobicContact CB-CB 4.48Å; A43-C203 WeakPolarHBondContact CB-O 3.45Å; A43-D205 HydrophobicContact CB-CB 4.26Å; A43-D205 PolarHBondContact N-OD2 3.19Å; A43-K209 WeakPolarHBondContact CB-O 3.25Å; A43-A211 HydrophobicContact CB-CB 3.87Å
44I98.8Very high98.5Very high17 Ų1738.5 Ų38.59%0.08720%0.195CC..Hα-helixtrans-65.7-45.8179.3-51.2178.8000110.7S42 A46 V47 E48 I80 L108 I112 A211S42-I44 PolarHBondContact O-N 3.29Å; S42-I44 PolarHBondContact OG-N 2.6Å; I44-A46 VanDerWaalsContact C-N 3.26Å; I44-A46 PolarHBondContact O-N 2.81Å; I44-V47 VanDerWaalsContact O-CG2 3.3Å; I44-V47 WeakPolarHBondContact O-CG2 2.75Å; I44-V47 PolarHBondContact O-N 2.87Å; I44-E48 WeakPolarHBondContact O-CB 3.36Å; I44-E48 PolarHBondContact O-N 2.88Å; I44-E48 VanDerWaalsContact O-N 3.09Å; I44-I80 HydrophobicContact CG2-CD1 3.77Å; I44-I80 HydrophobicContact CG2-CG1 4.49Å; I44-L108 HydrophobicContact CD1-CD2 4.4Å; I44-L108 HydrophobicContact CG2-CD2 4.02Å; I44-I112 HydrophobicContact CD1-CD1 4.22Å; I44-A211 HydrophobicContact CB-CB 4.41Å; I44-A211 HydrophobicContact CG1-CB 3.97Å
45D98.8Very high98.5Very high43 Ų4333 Ų3323%0.2317%0.174CC..Hα-helixtrans-63.6-36.4177.8-56.1-39.5000111.1K41 S42 A49 R105K41-D45 HydrophobicContact CB-CB 4.03Å; S42-D45 PolarHBondContact N-OD2 2.79Å; S42-D45 PolarHBondContact O-N 2.77Å; S42-D45 PolarHBondContact OG-N 3.42Å; S42-D45 PolarHBondContact OG-OD2 3.1Å; D45-A49 WeakPolarHBondContact O-CB 3.09Å; D45-A49 PolarHBondContact O-N 3.25Å; D45-R105 IonicContact OD1-NE 3.19Å; D45-R105 IonicContact OD1-NH2 3.18Å; D45-R105 PolarHBondContact OD1-NH2 3.47Å
46A98.9Very high98.4Very high0 Ų034.9 Ų34.90%019%0.185CC..Hα-helixtrans-69.8-44.3179.600000113.1A32 L36 S42 A43 I44 A49 A50 C203A32-A46 HydrophobicContact CB-CB 4.23Å; L36-A46 HydrophobicContact CD1-CB 3.95Å; L36-A46 HydrophobicContact CD2-CB 3.39Å; L36-A46 HydrophobicContact CG-CB 3.57Å; S42-A46 PolarHBondContact O-N 2.77Å; S42-A46 VanDerWaalsContact O-N 3.11Å; A43-A46 PolarHBondContact O-N 3.29Å; I44-A46 VanDerWaalsContact C-N 3.26Å; I44-A46 PolarHBondContact O-N 2.81Å; A46-A49 PolarHBondContact O-N 2.75Å; A46-A50 WeakPolarHBondContact O-CB 3.35Å; A46-A50 PolarHBondContact O-N 3.17Å; A46-C203 HydrophobicContact CB-CB 3.93Å
47V98.9Very high98.2Very high0 Ų036.4 Ų36.40%019%0.194CC..Hα-helixtrans-67.9-37.3176.3-64.60000112.2A43 I44 A50 V51 I80 A201 C203 A211 A213A43-V47 PolarHBondContact O-N 2.99Å; I44-V47 VanDerWaalsContact O-CG2 3.3Å; I44-V47 WeakPolarHBondContact O-CG2 2.75Å; I44-V47 PolarHBondContact O-N 2.87Å; V47-A50 PolarHBondContact O-N 3.19Å; V47-V51 WeakPolarHBondContact O-CB 3.17Å; V47-V51 WeakPolarHBondContact O-CG2 3.46Å; V47-V51 PolarHBondContact O-N 3.27Å; V47-I80 HydrophobicContact CG2-CD1 3.74Å; V47-I80 HydrophobicContact CG2-CG1 4.13Å; V47-A201 HydrophobicContact CB-CB 4.37Å; V47-A201 HydrophobicContact CG1-CB 4.29Å; V47-C203 HydrophobicContact CG1-CB 3.65Å; V47-A211 HydrophobicContact CG1-CB 4.19Å; V47-A211 WeakPolarHBondContact CG1-O 3.49Å; V47-A211 HydrophobicContact CG2-CB 3.78Å; V47-A213 HydrophobicContact CB-CB 3.97Å; V47-A213 HydrophobicContact CG2-CB 3.95Å
48E98.9Very high98Very high33 Ų3337.2 Ų37.215%0.15420%0.199CC..Hα-helixtrans-58.2-51.7173.4-179.5-164.9-177.800110.3I44 A50 V51 A52 V101 K102 R105I44-E48 WeakPolarHBondContact O-CB 3.36Å; I44-E48 PolarHBondContact O-N 2.88Å; I44-E48 VanDerWaalsContact O-N 3.09Å; E48-A50 PolarHBondContact O-N 3.37Å; E48-V51 PolarHBondContact O-N 3.27Å; E48-A52 WeakPolarHBondContact O-CB 3.12Å; E48-A52 PolarHBondContact O-N 2.96Å; E48-V101 HydrophobicContact CG-CG1 4.46Å; E48-K102 HydrophobicContact CG-CG 4.13Å; E48-K102 WeakPolarHBondContact OE1-CG 3.35Å; E48-R105 HydrophobicContact CG-CB 4.11Å; E48-R105 HydrophobicContact CG-CG 4.19Å; E48-R105 WeakPolarHBondContact OE2-CG 3.39Å; E48-R105 IonicContact OE2-NE 4Å
49A98.9Very high97.7Very high21 Ų2134.3 Ų34.317%0.17418%0.18CC..Hα-helixtrans-63.7-41.7-178.900000112.4L31 L35 D45 A46 Y53L31-A49 HydrophobicContact CD2-CB 4.18Å; L31-A49 HydrophobicContact CG-CB 4.36Å; L35-A49 HydrophobicContact CD1-CB 3.31Å; D45-A49 WeakPolarHBondContact O-CB 3.09Å; D45-A49 PolarHBondContact O-N 3.25Å; A46-A49 PolarHBondContact O-N 2.75Å; A49-Y53 WeakPolarHBondContact O-CB 3.4Å; A49-Y53 PolarHBondContact O-N 2.87Å
50A98.9Very high97.5Very high0 Ų031.4 Ų31.40%017%0.165CC..Hα-helixtrans-61.6-50.4177.400000111.5V6 A32 A46 V47 E48 Y53 L54 A201V6-A50 HydrophobicContact CG1-CB 4.29Å; A32-A50 HydrophobicContact CB-CB 4.05Å; A46-A50 WeakPolarHBondContact O-CB 3.35Å; A46-A50 PolarHBondContact O-N 3.17Å; V47-A50 PolarHBondContact O-N 3.19Å; E48-A50 PolarHBondContact O-N 3.37Å; A50-Y53 WeakPolarHBondContact O-CB 3.44Å; A50-Y53 PolarHBondContact O-N 3.07Å; A50-L54 WeakPolarHBondContact O-CG 3.02Å; A50-L54 PolarHBondContact O-N 3.44Å; A50-L54 VanDerWaalsContact O-N 3.17Å; A50-A201 HydrophobicContact CB-CB 3.78Å
51V98.9Very high97.3Very high0 Ų025.7 Ų25.70%014%0.138CC..Hα-helixtrans-68.2-41.1-179173.50000111V47 E48 Y53 L54 E55 V101 V199 A201 A213V47-V51 WeakPolarHBondContact O-CB 3.17Å; V47-V51 WeakPolarHBondContact O-CG2 3.46Å; V47-V51 PolarHBondContact O-N 3.27Å; E48-V51 PolarHBondContact O-N 3.27Å; V51-Y53 VanDerWaalsContact C-N 3.26Å; V51-Y53 PolarHBondContact O-N 3.41Å; V51-L54 CarbonylContact O-C 3.41Å; V51-L54 WeakPolarHBondContact O-CA 3.49Å; V51-L54 WeakPolarHBondContact O-CB 3.07Å; V51-L54 PolarHBondContact O-N 3.11Å; V51-E55 HydrophobicContact CG1-CG 4.22Å; V51-E55 WeakPolarHBondContact O-CG 3.38Å; V51-E55 PolarHBondContact O-N 3.42Å; V51-V101 HydrophobicContact CB-CB 4.19Å; V51-V101 HydrophobicContact CB-CG1 3.99Å; V51-V101 HydrophobicContact CB-CG2 3.99Å; V51-V101 HydrophobicContact CG1-CB 3.65Å; V51-V101 HydrophobicContact CG1-CG1 3.8Å; V51-V101 HydrophobicContact CG1-CG2 3.81Å; V51-V199 HydrophobicContact CG1-CG2 4.06Å; V51-A201 HydrophobicContact CG2-CB 3.86Å; V51-A213 HydrophobicContact CG2-CB 3.9Å
52A98.7Very high96.9Very high6 Ų620.8 Ų20.85%0.0512%0.117CC..Hα-helixtrans-61-36.9176.200000111.9E48 L54 E55 D56 N99 V101 K102E48-A52 WeakPolarHBondContact O-CB 3.12Å; E48-A52 PolarHBondContact O-N 2.96Å; A52-L54 VanDerWaalsContact C-N 3.33Å; A52-L54 PolarHBondContact O-N 2.93Å; A52-E55 PolarHBondContact O-N 2.73Å; A52-D56 PolarHBondContact O-N 2.83Å; A52-N99 HydrophobicContact CB-CB 4.41Å; A52-N99 PolarHBondContact O-ND2 3.39Å; A52-V101 HydrophobicContact CB-CG1 3.96Å; A52-K102 HydrophobicContact CB-CG 4.34Å
53Y98.6Very high96.7Very high78 Ų7819 Ų1931%0.30610%0.104SC..Hα-helixtrans-63.2-38.7173.4-169.6-92.2000112.4L24 E27 A28 L31 A49 A50 V51 D56L24-Y53 HydrophobicContact CD1-CD1 4.05Å; L24-Y53 HydrophobicContact CD1-CE1 3.86Å; E27-Y53 HydrophobicContact CB-CD1 4.47Å; E27-Y53 HydrophobicContact CB-CE1 3.46Å; E27-Y53 VanDerWaalsContact CB-CE1 3.46Å; E27-Y53 WeakPolarHBondContact CB-OH 3.43Å; E27-Y53 VanDerWaalsContact CD-OH 3.23Å; E27-Y53 PolarHBondContact OE2-OH 3.44Å; A28-Y53 HydrophobicContact CB-CD1 3.95Å; L31-Y53 HydrophobicContact CD2-CD2 3.98Å; L31-Y53 HydrophobicContact CD2-CG 4.21Å; A49-Y53 WeakPolarHBondContact O-CB 3.4Å; A49-Y53 PolarHBondContact O-N 2.87Å; A50-Y53 WeakPolarHBondContact O-CB 3.44Å; A50-Y53 PolarHBondContact O-N 3.07Å; V51-Y53 VanDerWaalsContact C-N 3.26Å; V51-Y53 PolarHBondContact O-N 3.41Å; Y53-D56 PolarHBondContact O-N 2.89Å
54L98.3Very high96.4Very high0 Ų020.7 Ų20.70%011%0.113CC..Hα-helixtrans-71-36176-62.4173.7000112.3V6 L24 A28 A50 V51 A52 D56 C57 T60 V199V6-L54 HydrophobicContact CB-CD1 4.43Å; L24-L54 HydrophobicContact CD1-CD2 3.92Å; L24-L54 HydrophobicContact CD2-CD2 3.98Å; L24-L54 HydrophobicContact CG-CD2 3.6Å; A28-L54 HydrophobicContact CB-CD2 3.86Å; A28-L54 HydrophobicContact CB-CG 4.09Å; A50-L54 WeakPolarHBondContact O-CG 3.02Å; A50-L54 PolarHBondContact O-N 3.44Å; A50-L54 VanDerWaalsContact O-N 3.17Å; V51-L54 CarbonylContact O-C 3.41Å; V51-L54 WeakPolarHBondContact O-CA 3.49Å; V51-L54 WeakPolarHBondContact O-CB 3.07Å; V51-L54 PolarHBondContact O-N 3.11Å; A52-L54 VanDerWaalsContact C-N 3.33Å; A52-L54 PolarHBondContact O-N 2.93Å; L54-D56 VanDerWaalsContact C-N 3.29Å; L54-C57 PolarHBondContact O-N 2.95Å; L54-T60 WeakPolarHBondContact O-CG2 3.42Å; L54-T60 PolarHBondContact O-OG1 2.72Å; L54-V199 HydrophobicContact CB-CB 3.93Å; L54-V199 HydrophobicContact CB-CG1 3.96Å; L54-V199 HydrophobicContact CB-CG2 4.06Å; L54-V199 HydrophobicContact CD1-CB 3.91Å; L54-V199 HydrophobicContact CD1-CG1 4.48Å
55E97.9Very high95.8Very high0 Ų020.2 Ų20.20%011%0.112CC..Hα-helixtrans-66.3-28.4174.2-73.1174.515500112.9V51 A52 C57 A62 I64 N99 P100 V101 S215V51-E55 HydrophobicContact CG1-CG 4.22Å; V51-E55 WeakPolarHBondContact O-CG 3.38Å; V51-E55 PolarHBondContact O-N 3.42Å; A52-E55 PolarHBondContact O-N 2.73Å; E55-C57 PolarHBondContact O-N 3.19Å; E55-A62 WeakPolarHBondContact CA-O 3.46Å; E55-A62 HydrophobicContact CG-CB 4Å; E55-A62 VanDerWaalsContact O-O 3.05Å; E55-I64 WeakPolarHBondContact O-CG2 3.46Å; E55-I64 PolarHBondContact O-N 3.48Å; E55-I64 VanDerWaalsContact O-N 3.11Å; E55-N99 WeakPolarHBondContact OE2-CA 3.42Å; E55-N99 WeakPolarHBondContact OE2-CB 3.31Å; E55-N99 PolarHBondContact OE2-ND2 3.2Å; E55-P100 WeakPolarHBondContact OE1-CD 3.49Å; E55-V101 PolarHBondContact OE1-N 3.36Å; E55-V101 WeakPolarHBondContact OE2-CG1 3.29Å; E55-S215 WeakPolarHBondContact OE1-CB 3.37Å; E55-S215 PolarHBondContact OE1-OG 3.01Å
56D97.3Very high95.6Very high66 Ų6618.1 Ų18.135%0.35310%0.101SC..THydrogen-bonded Turntrans-77.80.9178-82.8-1.2000113.1A52 Y53 L54 K98 N99A52-D56 PolarHBondContact O-N 2.83Å; Y53-D56 PolarHBondContact O-N 2.89Å; L54-D56 VanDerWaalsContact C-N 3.29Å; D56-K98 WeakPolarHBondContact OD1-CE 3.21Å; D56-K98 IonicContact OD1-NZ 3.43Å; D56-K98 PolarHBondContact OD1-NZ 2.95Å; D56-K98 IonicContact OD2-NZ 2.68Å; D56-K98 PolarHBondContact OD2-NZ 3.42Å; D56-N99 PolarHBondContact OD1-ND2 2.92Å
57C95.1Very high95.4Very high31 Ų3118.8 Ų18.821%0.20910%0.104CC..  trans-109.7114.1-176.9-167.40000112.6L24 L54 E55 L59 T60L24-C57 HydrophobicContact CD1-CB 3.64Å; L24-C57 HydrophobicContact CD2-CB 3.97Å; L24-C57 HydrophobicContact CG-CB 4.48Å; L54-C57 PolarHBondContact O-N 2.95Å; E55-C57 PolarHBondContact O-N 3.19Å; C57-L59 PolarHBondContact O-N 3.04Å; C57-T60 HydrophobicContact CB-CG2 4.46Å; C57-T60 PolarHBondContact O-N 3.44Å; C57-T60 PolarHBondContact O-OG1 2.93Å
58P92.7Very high95.2Very high61 Ų6119 Ų1940%0.39611%0.105SC..THydrogen-bonded Turntrans-58.6-5.5175.4-2937000116.8T60 I64 T150P58-T60 VanDerWaalsContact C-N 3.34Å; P58-I64 HydrophobicContact CG-CG1 4.44Å; P58-T150 HydrophobicContact CB-CG2 4.07Å; P58-T150 HydrophobicContact CG-CG2 4.16Å
59L91.4Very high95.1Very high32 Ų3217.4 Ų17.417%0.16810%0.098CC..THydrogen-bonded Turntrans-76.2-26.1173.8-174.564.6000111.8K17 K20 Y21 L24 C57K17-L59 HydrophobicContact CB-CD1 4.49Å; K17-L59 HydrophobicContact CD-CD1 3.89Å; K20-L59 HydrophobicContact CB-CD2 3.7Å; Y21-L59 HydrophobicContact CD1-CD2 3.66Å; Y21-L59 HydrophobicContact CD1-CG 4.1Å; Y21-L59 HydrophobicContact CD2-CD2 3.96Å; Y21-L59 HydrophobicContact CD2-CG 4.45Å; Y21-L59 HydrophobicContact CE1-CD1 4.34Å; Y21-L59 HydrophobicContact CE1-CD2 3.75Å; Y21-L59 HydrophobicContact CE1-CG 3.63Å; Y21-L59 HydrophobicContact CE2-CD1 3.87Å; Y21-L59 HydrophobicContact CE2-CD2 4.03Å; Y21-L59 HydrophobicContact CE2-CG 4.01Å; Y21-L59 HydrophobicContact CG-CD2 3.77Å; Y21-L59 HydrophobicContact CG-CG 4.48Å; Y21-L59 PolarHBondContact OH-O 3.46Å; L24-L59 HydrophobicContact CD2-CD2 4.44Å; C57-L59 PolarHBondContact O-N 3.04Å
60T93.5Very high94.9Very high4 Ų417.8 Ų17.83%0.02510%0.097CC..SBendtrans-92.6170179.670.30000110.3A8 L24 L54 C57 P58 V199A8-T60 HydrophobicContact CB-CG2 4.46Å; L24-T60 HydrophobicContact CD2-CG2 3.48Å; L24-T60 VanDerWaalsContact CD2-CG2 3.48Å; L54-T60 WeakPolarHBondContact O-CG2 3.42Å; L54-T60 PolarHBondContact O-OG1 2.72Å; C57-T60 HydrophobicContact CB-CG2 4.46Å; C57-T60 PolarHBondContact O-N 3.44Å; C57-T60 PolarHBondContact O-OG1 2.93Å; P58-T60 VanDerWaalsContact C-N 3.34Å; T60-V199 HydrophobicContact CG2-CG1 3.8Å
61N93.1Very high94.8Very high4 Ų422.7 Ų22.72%0.02112%0.123CC..SBendtrans-110.457.5172.5172.244.9000108.8S66 N67 D197 S216 G217 G218N61-S66 WeakPolarHBondContact OD1-CA 3.44Å; N61-N67 PolarHBondContact ND2-ND2 2.6Å; N61-N67 VanDerWaalsContact OD1-CB 3.25Å; N61-N67 WeakPolarHBondContact OD1-CB 3.49Å; N61-N67 VanDerWaalsContact OD1-CG 3.28Å; N61-N67 PolarHBondContact OD1-N 3.38Å; N61-N67 PolarHBondContact OD1-ND2 3Å; N61-D197 CarbonylContact C-O 3.54Å; N61-D197 HydrophobicContact CB-CB 3.78Å; N61-D197 WeakPolarHBondContact CB-O 3.07Å; N61-S216 CarbonylContact O-C 3.42Å; N61-G217 PolarHBondContact O-N 3.04Å; N61-G218 PolarHBondContact ND2-O 3.32Å
62A91.2Very high94.7Very high0 Ų023.5 Ų23.50%013%0.131CC..SBendtrans-149.9140.4174.200000108.5E55 I64 V199E55-A62 WeakPolarHBondContact CA-O 3.46Å; E55-A62 HydrophobicContact CG-CB 4Å; E55-A62 VanDerWaalsContact O-O 3.05Å; A62-I64 PolarHBondContact O-N 2.82Å; A62-V199 HydrophobicContact CB-CG1 4.19Å; A62-V199 HydrophobicContact CB-CG2 3.61Å
63G93.1Very high94.6Very high0 Ų027.8 Ų27.80%015%0.146CC..SBendtrans60.8-125.9-175.700000112.3S66 K98G63-S66 PolarHBondContact N-OG 3Å; G63-S66 WeakPolarHBondContact O-CB 3.28Å; G63-S66 PolarHBondContact O-N 3.09Å; G63-S66 PolarHBondContact O-OG 3.08Å; G63-K98 WeakPolarHBondContact CA-O 3.49Å
64I93Very high94.5Very high39 Ų3924.1 Ų24.120%0.213%0.133CC..THydrogen-bonded Turntrans-68.5135.8-179.7-179.6162.8000111.4E55 P58 A62 S66 T150E55-I64 WeakPolarHBondContact O-CG2 3.46Å; E55-I64 PolarHBondContact O-N 3.48Å; E55-I64 VanDerWaalsContact O-N 3.11Å; P58-I64 HydrophobicContact CG-CG1 4.44Å; A62-I64 PolarHBondContact O-N 2.82Å; I64-S66 VanDerWaalsContact C-N 3.27Å; I64-S66 PolarHBondContact O-N 2.98Å; I64-T150 HydrophobicContact CD1-CG2 4.27Å; I64-T150 HydrophobicContact CG1-CG2 3.7Å
65G86.4Confident94.5Very high6 Ų624.4 Ų24.46%0.06213%0.134CC..THydrogen-bonded Turntrans80.36.9-179.800000114.8L148G65-L148 PolarHBondContact N-O 3.44Å; G65-L148 VanDerWaalsContact N-O 3.09Å
66S93.5Very high94.5Very high0 Ų024.4 Ų24.40%013%0.134CC..PPolyproline II helixtrans-49.8151.3170.1-680000112.9N61 G63 I64 L68 S153N61-S66 WeakPolarHBondContact OD1-CA 3.44Å; G63-S66 PolarHBondContact N-OG 3Å; G63-S66 WeakPolarHBondContact O-CB 3.28Å; G63-S66 PolarHBondContact O-N 3.09Å; G63-S66 PolarHBondContact O-OG 3.08Å; I64-S66 VanDerWaalsContact C-N 3.27Å; I64-S66 PolarHBondContact O-N 2.98Å; S66-L68 PolarHBondContact O-N 2.81Å; S66-S153 WeakPolarHBondContact O-CB 3.03Å
67N94.3Very high94.5Very high13 Ų1321.3 Ų21.37%0.0712%0.117CC..PPolyproline II helixtrans-53.9132.3165.8-76.4-28.1000109.1N61 G218 A220N61-N67 PolarHBondContact ND2-ND2 2.6Å; N61-N67 VanDerWaalsContact OD1-CB 3.25Å; N61-N67 WeakPolarHBondContact OD1-CB 3.49Å; N61-N67 VanDerWaalsContact OD1-CG 3.28Å; N61-N67 PolarHBondContact OD1-N 3.38Å; N61-N67 PolarHBondContact OD1-ND2 3Å; N67-G218 PolarHBondContact ND2-O 3.47Å; N67-A220 HydrophobicContact CB-CB 4.42Å
68L95.9Very high94.7Very high4 Ų419.8 Ų19.82%0.02111%0.107CC..BIsolated β-bridgetrans-85.9146.3-177-52.9-176.8000111S66 Y73 V74 V149 W157 M221S66-L68 PolarHBondContact O-N 2.81Å; L68-Y73 WeakPolarHBondContact CA-O 3.37Å; L68-V74 HydrophobicContact CD2-CG2 3.53Å; L68-V149 HydrophobicContact CD1-CG1 3.94Å; L68-V149 HydrophobicContact CD2-CG1 4.4Å; L68-V149 HydrophobicContact CD2-CG2 3.97Å; L68-W157 HydrophobicContact CB-CB 4.09Å; L68-W157 HydrophobicContact CB-CG 3.95Å; L68-W157 HydrophobicContact CD1-CB 3.76Å; L68-W157 HydrophobicContact CD1-CG 4.01Å; L68-W157 HydrophobicContact CG-CB 4.22Å; L68-W157 HydrophobicContact CG-CG 4.49Å; L68-M221 PolarHBondContact O-N 3.28Å
69S96.3Very high95Very high0 Ų016.9 Ų16.90%09%0.088CC..PPolyproline II helixtrans-63.7173.1172.172.70000112.4N71 G72 Y73 W157 K222 E224S69-N71 PolarHBondContact O-N 3.32Å; S69-N71 PolarHBondContact OG-N 3.43Å; S69-G72 PolarHBondContact O-N 3.06Å; S69-G72 PolarHBondContact OG-N 3.27Å; S69-Y73 PolarHBondContact N-O 2.6Å; S69-Y73 PolarHBondContact OG-N 3.43Å; S69-Y73 VanDerWaalsContact OG-N 3.08Å; S69-W157 VanDerWaalsContact O-CD1 3.27Å; S69-W157 PolarHBondContact O-NE1 3.19Å; S69-K222 CarbonylContact C-O 3.53Å; S69-K222 WeakPolarHBondContact CA-O 3.39Å; S69-E224 VanDerWaalsContact CB-OE1 3.25Å; S69-E224 WeakPolarHBondContact CB-OE1 3.5Å; S69-E224 PolarHBondContact OG-OE1 3.36Å
70I95.3Very high95.3Very high29 Ų2915.4 Ų15.415%0.1498%0.08CC..THydrogen-bonded Turntrans-55.6-33.2176.4-167.8164.7000113W157 F165 M221 K222 Y223 E224I70-W157 WeakPolarHBondContact O-CZ2 3.37Å; I70-F165 HydrophobicContact CD1-CZ 4.12Å; I70-F165 HydrophobicContact CG1-CZ 4.27Å; I70-M221 HydrophobicContact CG1-CE 4.05Å; I70-K222 PolarHBondContact N-O 3.47Å; I70-Y223 HydrophobicContact CD1-CE1 4.15Å; I70-Y223 HydrophobicContact CG2-CD1 4.42Å; I70-E224 WeakPolarHBondContact CG2-OE2 3.39Å
71N96.2Very high95.6Very high104 Ų10415.2 Ų15.256%0.5568%0.079SC*.THydrogen-bonded Turntrans-91.85.4174.4-55.8-62.6000114.5S69 Y73 E224S69-N71 PolarHBondContact O-N 3.32Å; S69-N71 PolarHBondContact OG-N 3.43Å; N71-Y73 HydrophobicContact CB-CD2 3.9Å; N71-Y73 HydrophobicContact CB-CE2 3.73Å; N71-E224 WeakPolarHBondContact CB-OE1 3.4Å; N71-E224 PolarHBondContact N-OE1 2.79Å; N71-E224 PolarHBondContact ND2-OE1 3.37Å; N71-E224 PolarHBondContact ND2-OE2 3.47Å
72G96.2Very high95.9Very high16 Ų1615 Ų1517%0.1658%0.078CC..SBendtrans89.318.3171.200000115S69S69-G72 PolarHBondContact O-N 3.06Å; S69-G72 PolarHBondContact OG-N 3.27Å
73Y97.3Very high96.2Very high96 Ų9615.1 Ų15.138%0.3768%0.079SC..  trans-92.7147.5178.8-61.8-69.4000112.2L68 S69 N71 R95 N145L68-Y73 WeakPolarHBondContact CA-O 3.37Å; S69-Y73 PolarHBondContact N-O 2.6Å; S69-Y73 PolarHBondContact OG-N 3.43Å; S69-Y73 VanDerWaalsContact OG-N 3.08Å; N71-Y73 HydrophobicContact CB-CD2 3.9Å; N71-Y73 HydrophobicContact CB-CE2 3.73Å; Y73-R95 VanDerWaalsContact CD2-CZ 3.45Å; Y73-N145 WeakPolarHBondContact CA-OD1 3.33Å; Y73-N145 WeakPolarHBondContact CD1-OD1 3.44Å
74V97.3Very high96.3Very high2 Ų218.1 Ų18.11%0.01210%0.1CC..BIsolated β-bridgetrans-75.2121.7159.31700000108L68 N145 L148 V149L68-V74 HydrophobicContact CD2-CG2 3.53Å; V74-N145 PolarHBondContact N-OD1 3.38Å; V74-N145 PolarHBondContact O-ND2 2.93Å; V74-L148 HydrophobicContact CB-CB 3.96Å; V74-L148 HydrophobicContact CB-CD1 4.34Å; V74-L148 HydrophobicContact CG1-CB 4.08Å; V74-L148 HydrophobicContact CG1-CD1 4.02Å; V74-L148 HydrophobicContact CG2-CB 3.83Å; V74-V149 HydrophobicContact CG2-CG2 4.05Å
75E97.3Very high96.5Very high5 Ų519 Ų192%0.02311%0.108CC..EExtended strand (participates in β ladder)trans-139.4125178.5-174.8-17990.900107.9A93 V94 R95 K222 E224 G225E75-A93 HydrophobicContact CG-CB 4.28Å; E75-V94 WeakPolarHBondContact CA-O 3.21Å; E75-R95 HydrophobicContact CB-CG 4.16Å; E75-R95 HydrophobicContact CG-CG 4.17Å; E75-R95 IonicContact OE2-NE 2.71Å; E75-K222 PolarHBondContact O-NZ 2.96Å; E75-K222 IonicContact OE1-NZ 3.55Å; E75-E224 WeakPolarHBondContact OE1-CA 3.23Å; E75-E224 VanDerWaalsContact OE2-CB 3.31Å; E75-E224 WeakPolarHBondContact OE2-CB 3.31Å; E75-G225 PolarHBondContact OE1-N 3.06Å
76C97.6Very high97Very high1 Ų122.7 Ų22.71%0.00713%0.125CC..EExtended strand (participates in β ladder)trans-125.5156.7-167.2-63.80000113A93 V94 P100 S216C76-A93 PolarHBondContact O-N 3.13Å; C76-V94 PolarHBondContact N-O 3.03Å; C76-V94 PolarHBondContact O-N 3.22Å; C76-V94 VanDerWaalsContact O-N 3.1Å; C76-P100 HydrophobicContact CB-CB 4.12Å; C76-P100 HydrophobicContact CB-CG 3.34Å; C76-S216 WeakPolarHBondContact CA-O 3.13Å
77D98.1Very high97.2Very high0 Ų025 Ų250%014%0.136CC..EExtended strand (participates in β ladder)trans-119.8136.6172.1-53.7-33.5000108.6I91 G92 A93 S215 S216 R226 G228 A230 C231D77-I91 CarbonylContact C-O 3.57Å; D77-I91 WeakPolarHBondContact CA-O 3.44Å; D77-G92 WeakPolarHBondContact OD1-CA 3.44Å; D77-A93 PolarHBondContact OD1-N 3.33Å; D77-S215 CarbonylContact O-C 3.54Å; D77-S215 WeakPolarHBondContact O-CA 3.43Å; D77-S216 PolarHBondContact N-O 3.42Å; D77-S216 PolarHBondContact O-N 3.48Å; D77-R226 IonicContact OD2-NH1 3.64Å; D77-G228 WeakPolarHBondContact OD2-CA 3.5Å; D77-G228 PolarHBondContact OD2-N 3.44Å; D77-A230 HydrophobicContact CB-CB 4.1Å; D77-C231 HydrophobicContact CB-CB 4.01Å
78A98.7Very high97.4Very high0 Ų024.6 Ų24.60%013%0.134CC..EExtended strand (participates in β ladder)trans-145.8153.9169.800000111.8G90 I91 P100 V101 S214 A230 C231A78-G90 CarbonylContact O-C 3.45Å; A78-G90 WeakPolarHBondContact O-CA 3.37Å; A78-I91 HydrophobicContact CB-CG1 4.45Å; A78-I91 PolarHBondContact N-O 3.09Å; A78-I91 PolarHBondContact O-N 2.86Å; A78-P100 HydrophobicContact CB-CB 3.57Å; A78-V101 HydrophobicContact CB-CB 4.44Å; A78-S214 CarbonylContact C-O 3.18Å; A78-S214 WeakPolarHBondContact CA-O 3.31Å; A78-S214 WeakPolarHBondContact CB-O 3.41Å; A78-A230 CarbonylContact C-O 3.54Å; A78-C231 WeakPolarHBondContact O-CB 3.21Å
79G98.8Very high97.5Very high0 Ų024.4 Ų24.40%013%0.133CC..EExtended strand (participates in β ladder)trans-145.6151.1178.200000111.2A89 A213 S214 A230G79-A89 CarbonylContact C-O 3.51Å; G79-A89 VanDerWaalsContact CA-O 3.3Å; G79-A89 WeakPolarHBondContact CA-O 3.4Å; G79-A213 CarbonylContact O-C 3.56Å; G79-A213 VanDerWaalsContact O-CA 3.23Å; G79-A213 WeakPolarHBondContact O-CA 3.45Å; G79-S214 PolarHBondContact N-O 3.18Å; G79-S214 PolarHBondContact O-N 3.01Å; G79-A230 VanDerWaalsContact CA-O 3.26Å; G79-A230 WeakPolarHBondContact CA-O 3.48Å; G79-A230 PolarHBondContact N-O 2.86Å; G79-A230 VanDerWaalsContact N-O 3.08Å
80I98.9Very high97.6Very high0 Ų024.4 Ų24.40%013%0.133CC..EExtended strand (participates in β ladder)trans-145.9137.8178.5-175165.6000109.7I44 V47 F88 A89 A104 R105 L108 A212 A213I44-I80 HydrophobicContact CG2-CD1 3.77Å; I44-I80 HydrophobicContact CG2-CG1 4.49Å; V47-I80 HydrophobicContact CG2-CD1 3.74Å; V47-I80 HydrophobicContact CG2-CG1 4.13Å; I80-F88 WeakPolarHBondContact O-CA 3.47Å; I80-F88 WeakPolarHBondContact O-CD2 3.31Å; I80-A89 HydrophobicContact CG2-CB 4.37Å; I80-A89 PolarHBondContact N-O 3.35Å; I80-A89 PolarHBondContact O-N 3.07Å; I80-A104 HydrophobicContact CG2-CB 3.87Å; I80-R105 HydrophobicContact CD1-CB 4.35Å; I80-L108 HydrophobicContact CD1-CD2 4.48Å; I80-L108 HydrophobicContact CG1-CD2 4.06Å; I80-L108 HydrophobicContact CG2-CB 4.08Å; I80-L108 HydrophobicContact CG2-CD2 3.97Å; I80-A212 CarbonylContact C-O 3.53Å; I80-A212 WeakPolarHBondContact CA-O 3.1Å; I80-A213 HydrophobicContact CB-CB 4.06Å; I80-A213 HydrophobicContact CD1-CB 4.26Å; I80-A213 HydrophobicContact CG1-CB 3.97Å
81M98.9Very high97.8Very high0 Ų023 Ų230%013%0.126CC..EExtended strand (participates in β ladder)trans-127.1135.2180-166.4168.4178.300110.7L86 Q87 F88 A211 A212 W238 A239M81-L86 HydrophobicContact CE-CB 4.38Å; M81-L86 HydrophobicContact CE-CD2 4.28Å; M81-Q87 WeakPolarHBondContact CA-O 3.46Å; M81-F88 HydrophobicContact CB-CD2 4.17Å; M81-F88 HydrophobicContact CG-CB 4.38Å; M81-A211 VanDerWaalsContact O-CA 3.3Å; M81-A211 WeakPolarHBondContact O-CA 3.27Å; M81-A211 WeakPolarHBondContact O-CB 3.49Å; M81-A212 PolarHBondContact N-O 3.38Å; M81-A212 PolarHBondContact O-N 2.89Å; M81-A212 VanDerWaalsContact O-N 3.08Å; M81-W238 HydrophobicContact CE-CD2 3.95Å; M81-W238 HydrophobicContact CE-CE3 3.8Å; M81-W238 HydrophobicContact CE-CH2 3.89Å; M81-W238 HydrophobicContact CE-CZ2 3.99Å; M81-W238 HydrophobicContact CE-CZ3 3.79Å; M81-W238 HydrophobicContact SD-CD2 3.78Å; M81-W238 HydrophobicContact SD-CE3 3.5Å; M81-W238 VanDerWaalsContact SD-CE3 3.5Å; M81-W238 HydrophobicContact SD-CG 4.25Å; M81-W238 HydrophobicContact SD-CZ3 4.01Å; M81-A239 HydrophobicContact CB-CB 4.34Å; M81-A239 WeakPolarHBondContact CE-O 3.26Å; M81-A239 HydrophobicContact CG-CB 4.4Å; M81-A239 PolarHBondContact SD-N 3.27Å
82S98.6Very high97.9Very high1 Ų118 Ų181%0.00710%0.099CC..EExtended strand (participates in β ladder)trans-94.2123.3167.5178.50000109.4S84 T85 L86 Q87S82-S84 VanDerWaalsContact C-N 3.3Å; S82-S84 PolarHBondContact OG-OG 2.98Å; S82-T85 WeakPolarHBondContact CB-OG1 3.42Å; S82-T85 PolarHBondContact OG-OG1 3.27Å; S82-L86 VanDerWaalsContact O-CA 3.24Å; S82-L86 WeakPolarHBondContact O-CA 3.42Å; S82-L86 PolarHBondContact O-N 3.13Å; S82-Q87 PolarHBondContact N-O 2.83Å
83G98.2Very high97.9Very high2 Ų217.6 Ų17.62%0.0219%0.094CC..THydrogen-bonded Turntrans-72.9-23176.400000114L86 I210 A239 E241G83-L86 WeakPolarHBondContact O-CD2 3.33Å; G83-I210 WeakPolarHBondContact CA-O 3.41Å; G83-I210 PolarHBondContact N-O 3.07Å; G83-A239 VanDerWaalsContact CA-O 3.27Å; G83-A239 WeakPolarHBondContact CA-O 3.48Å; G83-E241 PolarHBondContact O-N 3.46Å
84S96.1Very high97.9Very high62 Ų6213.1 Ų13.143%0.4348%0.076SC..THydrogen-bonded Turntrans-78.1-29.7-17963.90000113.5S82 E241S82-S84 VanDerWaalsContact C-N 3.3Å; S82-S84 PolarHBondContact OG-OG 2.98Å; S84-E241 WeakPolarHBondContact CA-OE1 3.43Å; S84-E241 WeakPolarHBondContact CB-OE1 3.25Å
85T96.6Very high97.9Very high59 Ų5916.8 Ų16.836%0.3629%0.09SC..THydrogen-bonded Turntrans-109.4-9.3178.864.90000113S82 Q87 I112S82-T85 WeakPolarHBondContact CB-OG1 3.42Å; S82-T85 PolarHBondContact OG-OG1 3.27Å; T85-Q87 PolarHBondContact O-N 3.14Å; T85-Q87 WeakPolarHBondContact OG1-CB 3.25Å; T85-Q87 PolarHBondContact OG1-N 3.1Å; T85-Q87 PolarHBondContact OG1-OE1 2.99Å; T85-I112 HydrophobicContact CG2-CG1 4.45Å
86L97Very high97.9Very high82 Ų8218.4 Ų18.443%0.42910%0.099SC..  trans54.115.9-170-55.5177.7000113.7M81 S82 G83 E240M81-L86 HydrophobicContact CE-CB 4.38Å; M81-L86 HydrophobicContact CE-CD2 4.28Å; S82-L86 VanDerWaalsContact O-CA 3.24Å; S82-L86 WeakPolarHBondContact O-CA 3.42Å; S82-L86 PolarHBondContact O-N 3.13Å; G83-L86 WeakPolarHBondContact O-CD2 3.33Å; L86-E240 HydrophobicContact CD2-CB 4.08Å; L86-E240 HydrophobicContact CD2-CG 3.97Å
87Q97.7Very high97.8Very high49 Ų4918.7 Ų18.723%0.22910%0.1CC..  trans-82140.7176-69.5173.5-52.500110.1M81 S82 T85 L108 Q111M81-Q87 WeakPolarHBondContact CA-O 3.46Å; S82-Q87 PolarHBondContact N-O 2.83Å; T85-Q87 PolarHBondContact O-N 3.14Å; T85-Q87 WeakPolarHBondContact OG1-CB 3.25Å; T85-Q87 PolarHBondContact OG1-N 3.1Å; T85-Q87 PolarHBondContact OG1-OE1 2.99Å; Q87-L108 HydrophobicContact CB-CD1 3.68Å; Q87-L108 WeakPolarHBondContact O-CD1 3.28Å; Q87-Q111 PolarHBondContact NE2-O 3.45Å; Q87-Q111 VanDerWaalsContact NE2-O 3.11Å
88F98.6Very high97.6Very high4 Ų423 Ų232%0.01812%0.119CC..EExtended strand (participates in β ladder)trans-122.6141.3175.3171.1-90.9000109.5I80 M81 Q111 V126 Y233I80-F88 WeakPolarHBondContact O-CA 3.47Å; I80-F88 WeakPolarHBondContact O-CD2 3.31Å; M81-F88 HydrophobicContact CB-CD2 4.17Å; M81-F88 HydrophobicContact CG-CB 4.38Å; F88-Q111 PolarHBondContact O-NE2 3.17Å; F88-Q111 VanDerWaalsContact O-NE2 3.07Å; F88-Q111 PolarHBondContact O-OE1 3.33Å; F88-V126 HydrophobicContact CE1-CG2 4.07Å; F88-Y233 HydrophobicContact CB-CD2 3.43Å; F88-Y233 VanDerWaalsContact CB-CD2 3.43Å; F88-Y233 HydrophobicContact CB-CE2 3.56Å; F88-Y233 AromaticContact CD1-CD2 3.77Å; F88-Y233 HydrophobicContact CD1-CD2 3.77Å; F88-Y233 HydrophobicContact CD2-CD2 4.42Å; F88-Y233 AromaticContact CG-CD2 3.62Å; F88-Y233 HydrophobicContact CG-CD2 3.62Å; F88-Y233 HydrophobicContact CG-CE2 4.25Å
89A98.7Very high97.6Very high0 Ų023.6 Ų23.60%012%0.122CC..EExtended strand (participates in β ladder)trans-128.3142.6167.800000111.3G79 I80 A104 L107 L108 S125G79-A89 CarbonylContact C-O 3.51Å; G79-A89 VanDerWaalsContact CA-O 3.3Å; G79-A89 WeakPolarHBondContact CA-O 3.4Å; I80-A89 HydrophobicContact CG2-CB 4.37Å; I80-A89 PolarHBondContact N-O 3.35Å; I80-A89 PolarHBondContact O-N 3.07Å; A89-A104 VanDerWaalsContact CB-O 3.24Å; A89-A104 WeakPolarHBondContact CB-O 3.39Å; A89-L107 HydrophobicContact CB-CB 3.93Å; A89-L107 HydrophobicContact CB-CD2 4.19Å; A89-L107 HydrophobicContact CB-CG 3.95Å; A89-L108 HydrophobicContact CB-CB 3.62Å; A89-L108 HydrophobicContact CB-CD1 4.48Å; A89-S125 CarbonylContact C-O 3.57Å; A89-S125 WeakPolarHBondContact CA-O 3.42Å
90G98.5Very high97.6Very high0 Ų023.6 Ų23.60%012%0.122CC..EExtended strand (participates in β ladder)trans-137.5150.4176.300000113A78 S125 V126 L127A78-G90 CarbonylContact O-C 3.45Å; A78-G90 WeakPolarHBondContact O-CA 3.37Å; G90-S125 PolarHBondContact N-O 3.49Å; G90-V126 VanDerWaalsContact O-CA 3.31Å; G90-V126 WeakPolarHBondContact O-CA 3.34Å; G90-L127 PolarHBondContact O-N 2.79Å; G90-L127 VanDerWaalsContact O-N 3.13Å
91I98.4Very high97.6Very high0 Ų023.6 Ų23.60%012%0.122CC..EExtended strand (participates in β ladder)trans-124.4137162.961.1116.7000109.7D77 A78 V94 P100 V103 A104 L127 C231D77-I91 CarbonylContact C-O 3.57Å; D77-I91 WeakPolarHBondContact CA-O 3.44Å; A78-I91 HydrophobicContact CB-CG1 4.45Å; A78-I91 PolarHBondContact N-O 3.09Å; A78-I91 PolarHBondContact O-N 2.86Å; I91-V94 HydrophobicContact CB-CG2 4.03Å; I91-V94 HydrophobicContact CD1-CB 4.04Å; I91-V94 HydrophobicContact CD1-CG2 3.77Å; I91-P100 HydrophobicContact CD1-CB 3.78Å; I91-V103 HydrophobicContact CD1-CB 4.34Å; I91-V103 HydrophobicContact CG1-CB 4.25Å; I91-V103 HydrophobicContact CG1-CG1 4.49Å; I91-V103 HydrophobicContact CG2-CB 4.35Å; I91-V103 HydrophobicContact CG2-CG1 3.79Å; I91-A104 HydrophobicContact CG1-CB 4.36Å; I91-L127 VanDerWaalsContact CA-O 3.25Å; I91-L127 WeakPolarHBondContact CA-O 3.07Å; I91-C231 VanDerWaalsContact O-CB 3.27Å; I91-C231 WeakPolarHBondContact O-CB 3.44Å
92G97.9Very high97.6Very high0 Ų026.6 Ų26.60%014%0.135CC..EExtended strand (participates in β ladder)trans-139.3147.4-170.400000113.9D77 V94 L127 V128 G129 L227D77-G92 WeakPolarHBondContact OD1-CA 3.44Å; G92-V94 WeakPolarHBondContact O-CG2 3.43Å; G92-V94 PolarHBondContact O-N 3.43Å; G92-L127 PolarHBondContact N-O 2.81Å; G92-L127 VanDerWaalsContact N-O 3.09Å; G92-V128 CarbonylContact O-C 3.46Å; G92-V128 WeakPolarHBondContact O-CA 3.38Å; G92-V128 VanDerWaalsContact O-CB 3.28Å; G92-V128 WeakPolarHBondContact O-CB 3.46Å; G92-G129 PolarHBondContact O-N 3.42Å; G92-L227 VanDerWaalsContact C-CD2 3.47Å
93A97.4Very high97.5Very high6 Ų626.6 Ų26.65%0.0514%0.135CC..EExtended strand (participates in β ladder)trans49.740.1-177.200000113.2E75 C76 D77 G129 L227E75-A93 HydrophobicContact CG-CB 4.28Å; C76-A93 PolarHBondContact O-N 3.13Å; D77-A93 PolarHBondContact OD1-N 3.33Å; A93-G129 WeakPolarHBondContact O-CA 3.4Å; A93-L227 HydrophobicContact CB-CD2 3.79Å
94V97.4Very high97.6Very high2 Ų226.5 Ų26.51%0.01213%0.134CC..EExtended strand (participates in β ladder)trans-102130-174.4-164.30000110.3E75 C76 I91 G92 M97 A132 H133E75-V94 WeakPolarHBondContact CA-O 3.21Å; C76-V94 PolarHBondContact N-O 3.03Å; C76-V94 PolarHBondContact O-N 3.22Å; C76-V94 VanDerWaalsContact O-N 3.1Å; I91-V94 HydrophobicContact CB-CG2 4.03Å; I91-V94 HydrophobicContact CD1-CB 4.04Å; I91-V94 HydrophobicContact CD1-CG2 3.77Å; G92-V94 WeakPolarHBondContact O-CG2 3.43Å; G92-V94 PolarHBondContact O-N 3.43Å; V94-M97 HydrophobicContact CB-CG 4.27Å; V94-M97 HydrophobicContact CG1-CE 4.14Å; V94-M97 HydrophobicContact CG1-CG 3.65Å; V94-A132 HydrophobicContact CG1-CB 4.2Å; V94-A132 HydrophobicContact CG2-CB 3.49Å; V94-A132 VanDerWaalsContact CG2-CB 3.49Å; V94-H133 HydrophobicContact CG1-CB 4.08Å
95R96.6Very high97.7Very high79 Ų7924.8 Ų24.830%0.29812%0.118SC..EExtended strand (participates in β ladder)trans-91.8171.4172.4-58.6-175.3-167.2169.38.4110.7Y73 E75 M97 E224Y73-R95 VanDerWaalsContact CD2-CZ 3.45Å; E75-R95 HydrophobicContact CB-CG 4.16Å; E75-R95 HydrophobicContact CG-CG 4.17Å; E75-R95 IonicContact OE2-NE 2.71Å; R95-M97 WeakPolarHBondContact O-CG 3.5Å; R95-M97 PolarHBondContact O-N 3.26Å; R95-M97 VanDerWaalsContact O-N 3.17Å; R95-E224 VanDerWaalsContact NH2-CG 3.33Å
96N96.8Very high97.7Very high40 Ų4024.7 Ų24.721%0.21412%0.115CC..SBendtrans62.125.2170.8-64.472.7000114S142 V143 N145N96-S142 WeakPolarHBondContact O-CA 3.44Å; N96-V143 WeakPolarHBondContact CA-O 3.41Å; N96-V143 WeakPolarHBondContact CB-O 3.36Å; N96-V143 PolarHBondContact ND2-O 3.08Å; N96-V143 WeakPolarHBondContact O-CG2 3.47Å; N96-V143 PolarHBondContact O-N 3.4Å; N96-N145 PolarHBondContact N-ND2 3.16Å; N96-N145 PolarHBondContact ND2-N 3.05Å
97M95.2Very high97.8Very high6 Ų620.9 Ų20.93%0.0310%0.095CC..  trans-115.4115.2179.6-64.2-58.1137.500110.6V94 R95 P100 V103 H133 A136 Y141 L148V94-M97 HydrophobicContact CB-CG 4.27Å; V94-M97 HydrophobicContact CG1-CE 4.14Å; V94-M97 HydrophobicContact CG1-CG 3.65Å; R95-M97 WeakPolarHBondContact O-CG 3.5Å; R95-M97 PolarHBondContact O-N 3.26Å; R95-M97 VanDerWaalsContact O-N 3.17Å; M97-P100 HydrophobicContact CB-CG 4.18Å; M97-V103 HydrophobicContact SD-CG2 3.8Å; M97-H133 VanDerWaalsContact CE-CD2 3.44Å; M97-H133 WeakPolarHBondContact CE-CD2 3.09Å; M97-A136 HydrophobicContact CE-CB 3.49Å; M97-A136 VanDerWaalsContact CE-CB 3.49Å; M97-A136 HydrophobicContact SD-CB 3.7Å; M97-Y141 VanDerWaalsContact CE-O 3.26Å; M97-Y141 WeakPolarHBondContact CE-O 3.4Å; M97-L148 WeakPolarHBondContact O-CD1 3.37Å
98K95.7Very high97.8Very high90 Ų9018.5 Ų18.539%0.3918%0.084SC..SBendtrans-66.8-49.9173.3-172.7-174.9177.8-153.50111.6D56 G63 P100 V143 L148D56-K98 WeakPolarHBondContact OD1-CE 3.21Å; D56-K98 IonicContact OD1-NZ 3.43Å; D56-K98 PolarHBondContact OD1-NZ 2.95Å; D56-K98 IonicContact OD2-NZ 2.68Å; D56-K98 PolarHBondContact OD2-NZ 3.42Å; G63-K98 WeakPolarHBondContact CA-O 3.49Å; K98-P100 WeakPolarHBondContact O-CD 3.48Å; K98-V143 HydrophobicContact CB-CG1 4.34Å; K98-V143 HydrophobicContact CB-CG2 4.18Å; K98-L148 HydrophobicContact CB-CD2 4.08Å; K98-L148 HydrophobicContact CG-CD2 4.22Å
99N97.8Very high97.7Very high14 Ų1420.9 Ų20.98%0.07510%0.095CC..  trans-123.182.8179.8-58.7114.5000111.4A52 E55 D56 V101 K102A52-N99 HydrophobicContact CB-CB 4.41Å; A52-N99 PolarHBondContact O-ND2 3.39Å; E55-N99 WeakPolarHBondContact OE2-CA 3.42Å; E55-N99 WeakPolarHBondContact OE2-CB 3.31Å; E55-N99 PolarHBondContact OE2-ND2 3.2Å; D56-N99 PolarHBondContact OD1-ND2 2.92Å; N99-V101 PolarHBondContact O-N 3.2Å; N99-K102 HydrophobicContact CB-CB 4.31Å; N99-K102 HydrophobicContact CB-CD 3.89Å; N99-K102 HydrophobicContact CB-CG 3.78Å; N99-K102 PolarHBondContact O-N 2.91Å; N99-K102 VanDerWaalsContact O-N 3.09Å
100P98.1Very high97.5Very high0 Ų022.5 Ų22.50%011%0.107CC..Hα-helixtrans-46-40.6175.2-3337.2000114.7E55 C76 A78 I91 M97 K98 K102 V103 A104E55-P100 WeakPolarHBondContact OE1-CD 3.49Å; C76-P100 HydrophobicContact CB-CB 4.12Å; C76-P100 HydrophobicContact CB-CG 3.34Å; A78-P100 HydrophobicContact CB-CB 3.57Å; I91-P100 HydrophobicContact CD1-CB 3.78Å; M97-P100 HydrophobicContact CB-CG 4.18Å; K98-P100 WeakPolarHBondContact O-CD 3.48Å; P100-K102 VanDerWaalsContact C-N 3.27Å; P100-K102 PolarHBondContact O-N 2.75Å; P100-V103 PolarHBondContact O-N 3.1Å; P100-V103 VanDerWaalsContact O-N 3.14Å; P100-A104 PolarHBondContact O-N 2.74Å; P100-A104 VanDerWaalsContact O-N 3.12Å
101V98.8Very high97.4Very high0 Ų023 Ų230%011%0.109CC..Hα-helixtrans-61.9-32.4-17976.90000113.4E48 V51 A52 E55 A78 N99 V103 A104 R105 A213E48-V101 HydrophobicContact CG-CG1 4.46Å; V51-V101 HydrophobicContact CB-CB 4.19Å; V51-V101 HydrophobicContact CB-CG1 3.99Å; V51-V101 HydrophobicContact CB-CG2 3.99Å; V51-V101 HydrophobicContact CG1-CB 3.65Å; V51-V101 HydrophobicContact CG1-CG1 3.8Å; V51-V101 HydrophobicContact CG1-CG2 3.81Å; A52-V101 HydrophobicContact CB-CG1 3.96Å; E55-V101 PolarHBondContact OE1-N 3.36Å; E55-V101 WeakPolarHBondContact OE2-CG1 3.29Å; A78-V101 HydrophobicContact CB-CB 4.44Å; N99-V101 PolarHBondContact O-N 3.2Å; V101-V103 VanDerWaalsContact C-N 3.31Å; V101-V103 PolarHBondContact O-N 3.28Å; V101-A104 PolarHBondContact O-N 2.82Å; V101-R105 WeakPolarHBondContact O-CB 3.07Å; V101-R105 PolarHBondContact O-N 2.93Å; V101-A213 HydrophobicContact CG2-CB 3.91Å
102K98.6Very high97.2Very high62 Ų6225.5 Ų25.527%0.2712%0.122SC..Hα-helixtrans-68.2-34.3178.2-63.2-168.5171.9171.40111.8E48 A52 N99 P100 R105 L106 Y141E48-K102 HydrophobicContact CG-CG 4.13Å; E48-K102 WeakPolarHBondContact OE1-CG 3.35Å; A52-K102 HydrophobicContact CB-CG 4.34Å; N99-K102 HydrophobicContact CB-CB 4.31Å; N99-K102 HydrophobicContact CB-CD 3.89Å; N99-K102 HydrophobicContact CB-CG 3.78Å; N99-K102 PolarHBondContact O-N 2.91Å; N99-K102 VanDerWaalsContact O-N 3.09Å; P100-K102 VanDerWaalsContact C-N 3.27Å; P100-K102 PolarHBondContact O-N 2.75Å; K102-R105 WeakPolarHBondContact O-CB 3.31Å; K102-R105 PolarHBondContact O-N 3.18Å; K102-L106 WeakPolarHBondContact O-CG 3.42Å; K102-L106 PolarHBondContact O-N 3.36Å; K102-Y141 HydrophobicContact CB-CD1 4.36Å; K102-Y141 HydrophobicContact CB-CE1 3.65Å; K102-Y141 HydrophobicContact CD-CE1 3.95Å; K102-Y141 HydrophobicContact CG-CE1 4.46Å
103V98.2Very high97Very high1 Ų129.7 Ų29.71%0.00614%0.144CC..Hα-helixtrans-70.7-42.3175.3-173.20000110.3I91 M97 P100 V101 R105 L106 L107 W135 A136 Y141I91-V103 HydrophobicContact CD1-CB 4.34Å; I91-V103 HydrophobicContact CG1-CB 4.25Å; I91-V103 HydrophobicContact CG1-CG1 4.49Å; I91-V103 HydrophobicContact CG2-CB 4.35Å; I91-V103 HydrophobicContact CG2-CG1 3.79Å; M97-V103 HydrophobicContact SD-CG2 3.8Å; P100-V103 PolarHBondContact O-N 3.1Å; P100-V103 VanDerWaalsContact O-N 3.14Å; V101-V103 VanDerWaalsContact C-N 3.31Å; V101-V103 PolarHBondContact O-N 3.28Å; V103-R105 VanDerWaalsContact C-N 3.3Å; V103-R105 PolarHBondContact O-N 3.21Å; V103-L106 PolarHBondContact O-N 3.39Å; V103-L107 PolarHBondContact O-N 2.89Å; V103-W135 HydrophobicContact CG1-CE3 4.04Å; V103-W135 HydrophobicContact CG1-CZ3 3.75Å; V103-A136 HydrophobicContact CG1-CB 3.61Å; V103-A136 HydrophobicContact CG2-CB 4.06Å; V103-Y141 HydrophobicContact CG2-CD1 4.19Å; V103-Y141 HydrophobicContact CG2-CG 4.18Å
104A98.6Very high96.8Very high0 Ų035.3 Ų35.30%017%0.169CC..Hα-helixtrans-60-41.1172.600000111.4I80 A89 I91 P100 V101 L106 L107 L108I80-A104 HydrophobicContact CG2-CB 3.87Å; A89-A104 VanDerWaalsContact CB-O 3.24Å; A89-A104 WeakPolarHBondContact CB-O 3.39Å; I91-A104 HydrophobicContact CG1-CB 4.36Å; P100-A104 PolarHBondContact O-N 2.74Å; P100-A104 VanDerWaalsContact O-N 3.12Å; V101-A104 PolarHBondContact O-N 2.82Å; A104-L106 PolarHBondContact O-N 3.02Å; A104-L107 PolarHBondContact O-N 3.32Å; A104-L108 PolarHBondContact O-N 3.26Å
105R98.7Very high96.4Very high27 Ų2739.1 Ų39.110%0.10219%0.194CC..Hα-helixtrans-59.2-45.6174172.876.6179.993.1-3.9112.8D45 E48 I80 V101 K102 V103 L107 L108 Q109D45-R105 IonicContact OD1-NE 3.19Å; D45-R105 IonicContact OD1-NH2 3.18Å; D45-R105 PolarHBondContact OD1-NH2 3.47Å; E48-R105 HydrophobicContact CG-CB 4.11Å; E48-R105 HydrophobicContact CG-CG 4.19Å; E48-R105 WeakPolarHBondContact OE2-CG 3.39Å; E48-R105 IonicContact OE2-NE 4Å; I80-R105 HydrophobicContact CD1-CB 4.35Å; V101-R105 WeakPolarHBondContact O-CB 3.07Å; V101-R105 PolarHBondContact O-N 2.93Å; K102-R105 WeakPolarHBondContact O-CB 3.31Å; K102-R105 PolarHBondContact O-N 3.18Å; V103-R105 VanDerWaalsContact C-N 3.3Å; V103-R105 PolarHBondContact O-N 3.21Å; R105-L107 VanDerWaalsContact C-N 3.27Å; R105-L107 PolarHBondContact O-N 3.4Å; R105-L108 WeakPolarHBondContact O-CB 3.33Å; R105-L108 PolarHBondContact O-N 3.39Å; R105-Q109 VanDerWaalsContact CZ-OE1 3.25Å; R105-Q109 PolarHBondContact O-N 2.93Å
106L97.8Very high96.1Very high57 Ų5740.2 Ų40.230%0.29821%0.209SC..Hα-helixtrans-60.5-40.5176.6-75.2176.6000111.4K102 V103 A104 Q109 S110 W135 K139 Y141K102-L106 WeakPolarHBondContact O-CG 3.42Å; K102-L106 PolarHBondContact O-N 3.36Å; V103-L106 PolarHBondContact O-N 3.39Å; A104-L106 PolarHBondContact O-N 3.02Å; L106-Q109 PolarHBondContact O-N 3.35Å; L106-S110 PolarHBondContact O-N 2.82Å; L106-W135 HydrophobicContact CB-CH2 3.93Å; L106-W135 HydrophobicContact CB-CZ3 4.31Å; L106-K139 HydrophobicContact CD1-CB 3.8Å; L106-K139 HydrophobicContact CD1-CG 4.26Å; L106-Y141 HydrophobicContact CD1-CD2 3.57Å; L106-Y141 HydrophobicContact CD1-CE2 3.35Å; L106-Y141 HydrophobicContact CD1-CG 4.48Å; L106-Y141 HydrophobicContact CG-CE2 4.38Å
107L97.7Very high95.4Very high1 Ų139.7 Ų39.71%0.00521%0.213CC..Hα-helixtrans-66.2-42.5177.3-176.561.3000110.9A89 V103 A104 R105 Q109 S110 Q111 P124 L127 W135A89-L107 HydrophobicContact CB-CB 3.93Å; A89-L107 HydrophobicContact CB-CD2 4.19Å; A89-L107 HydrophobicContact CB-CG 3.95Å; V103-L107 PolarHBondContact O-N 2.89Å; A104-L107 PolarHBondContact O-N 3.32Å; R105-L107 VanDerWaalsContact C-N 3.27Å; R105-L107 PolarHBondContact O-N 3.4Å; L107-Q109 PolarHBondContact O-N 3.48Å; L107-S110 PolarHBondContact O-N 2.71Å; L107-S110 PolarHBondContact O-OG 2.85Å; L107-Q111 PolarHBondContact O-N 3.48Å; L107-Q111 VanDerWaalsContact O-N 3.17Å; L107-P124 HydrophobicContact CD1-CG 4.1Å; L107-P124 WeakPolarHBondContact CD1-O 3.29Å; L107-L127 HydrophobicContact CD1-CD1 4.2Å; L107-L127 HydrophobicContact CD2-CD1 4.34Å; L107-L127 HydrophobicContact CD2-CG 4.14Å; L107-W135 HydrophobicContact CB-CH2 3.86Å; L107-W135 HydrophobicContact CB-CZ3 4.25Å; L107-W135 HydrophobicContact CD1-CH2 4.19Å; L107-W135 HydrophobicContact CD1-CZ2 4.06Å
108L98.4Very high95.1Very high0 Ų046.7 Ų46.70%025%0.246CC..Hα-helixtrans-59.5-46.2173.7-17962.1000111.5I44 I80 Q87 A89 A104 R105 S110 Q111 I112I44-L108 HydrophobicContact CD1-CD2 4.4Å; I44-L108 HydrophobicContact CG2-CD2 4.02Å; I80-L108 HydrophobicContact CD1-CD2 4.48Å; I80-L108 HydrophobicContact CG1-CD2 4.06Å; I80-L108 HydrophobicContact CG2-CB 4.08Å; I80-L108 HydrophobicContact CG2-CD2 3.97Å; Q87-L108 HydrophobicContact CB-CD1 3.68Å; Q87-L108 WeakPolarHBondContact O-CD1 3.28Å; A89-L108 HydrophobicContact CB-CB 3.62Å; A89-L108 HydrophobicContact CB-CD1 4.48Å; A104-L108 PolarHBondContact O-N 3.26Å; R105-L108 WeakPolarHBondContact O-CB 3.33Å; R105-L108 PolarHBondContact O-N 3.39Å; L108-S110 VanDerWaalsContact C-N 3.27Å; L108-S110 PolarHBondContact O-N 2.9Å; L108-Q111 WeakPolarHBondContact O-CB 3.38Å; L108-Q111 PolarHBondContact O-N 3.34Å; L108-Q111 VanDerWaalsContact O-N 3.08Å; L108-I112 HydrophobicContact CD1-CD1 4.33Å; L108-I112 HydrophobicContact CG-CD1 4Å; L108-I112 WeakPolarHBondContact O-CG1 3.3Å; L108-I112 PolarHBondContact O-N 2.84Å; L108-I112 VanDerWaalsContact O-N 3.08Å
109Q97.1Very high94.9Very high53 Ų5350.5 Ų50.525%0.24827%0.269CS..Hα-helixtrans-60.1-40.6178.3-165.657.851.800111.2R105 L106 L107 Q111 I112 D113R105-Q109 VanDerWaalsContact CZ-OE1 3.25Å; R105-Q109 PolarHBondContact O-N 2.93Å; L106-Q109 PolarHBondContact O-N 3.35Å; L107-Q109 PolarHBondContact O-N 3.48Å; Q109-Q111 VanDerWaalsContact C-N 3.27Å; Q109-Q111 PolarHBondContact O-N 3.03Å; Q109-I112 PolarHBondContact O-N 3.11Å; Q109-I112 VanDerWaalsContact O-N 3.16Å; Q109-D113 VanDerWaalsContact CG-OD2 3.32Å; Q109-D113 WeakPolarHBondContact CG-OD2 3.17Å; Q109-D113 PolarHBondContact NE2-OD1 3.35Å; Q109-D113 PolarHBondContact NE2-OD2 2.79Å; Q109-D113 WeakPolarHBondContact O-CB 3.23Å; Q109-D113 PolarHBondContact O-N 3.03Å
110S94.5Very high94.7Very high35 Ų3552.4 Ų52.425%0.24529%0.292CS..Hα-helixtrans-64.1-30.817776.90000113.4L106 L107 L108 H114L106-S110 PolarHBondContact O-N 2.82Å; L107-S110 PolarHBondContact O-N 2.71Å; L107-S110 PolarHBondContact O-OG 2.85Å; L108-S110 VanDerWaalsContact C-N 3.27Å; L108-S110 PolarHBondContact O-N 2.9Å; S110-H114 WeakPolarHBondContact O-CB 3.34Å; S110-H114 PolarHBondContact O-N 3.35Å; S110-H114 VanDerWaalsContact O-N 3.11Å
111Q94.9Very high94.4Very high9 Ų959.5 Ų59.54%0.04232%0.319CS..Hα-helixtrans-72.1-36.7173.6-66.3172.240.900112.2Q87 F88 L107 L108 Q109 P115 P123 P124Q87-Q111 PolarHBondContact NE2-O 3.45Å; Q87-Q111 VanDerWaalsContact NE2-O 3.11Å; F88-Q111 PolarHBondContact O-NE2 3.17Å; F88-Q111 VanDerWaalsContact O-NE2 3.07Å; F88-Q111 PolarHBondContact O-OE1 3.33Å; L107-Q111 PolarHBondContact O-N 3.48Å; L107-Q111 VanDerWaalsContact O-N 3.17Å; L108-Q111 WeakPolarHBondContact O-CB 3.38Å; L108-Q111 PolarHBondContact O-N 3.34Å; L108-Q111 VanDerWaalsContact O-N 3.08Å; Q109-Q111 VanDerWaalsContact C-N 3.27Å; Q109-Q111 PolarHBondContact O-N 3.03Å; Q111-P115 WeakPolarHBondContact O-CA 3.46Å; Q111-P123 HydrophobicContact CG-CB 3.97Å; Q111-P124 PolarHBondContact NE2-O 3.28Å
112I95.1Very high94Very high53 Ų5365.6 Ų65.627%0.27236%0.356SS..Hα-helixtrans-70.9-48.9179-67.6166.5000110.3I44 T85 L108 Q109I44-I112 HydrophobicContact CD1-CD1 4.22Å; T85-I112 HydrophobicContact CG2-CG1 4.45Å; L108-I112 HydrophobicContact CD1-CD1 4.33Å; L108-I112 HydrophobicContact CG-CD1 4Å; L108-I112 WeakPolarHBondContact O-CG1 3.3Å; L108-I112 PolarHBondContact O-N 2.84Å; L108-I112 VanDerWaalsContact O-N 3.08Å; Q109-I112 PolarHBondContact O-N 3.11Å; Q109-I112 VanDerWaalsContact O-N 3.16Å
113D94.6Very high93.8Very high89 Ų8963.9 Ų63.948%0.47635%0.351SS..Hα-helixtrans-77.1-30.9-173.8-66.1-19000112.8Q109Q109-D113 VanDerWaalsContact CG-OD2 3.32Å; Q109-D113 WeakPolarHBondContact CG-OD2 3.17Å; Q109-D113 PolarHBondContact NE2-OD1 3.35Å; Q109-D113 PolarHBondContact NE2-OD2 2.79Å; Q109-D113 WeakPolarHBondContact O-CB 3.23Å; Q109-D113 PolarHBondContact O-N 3.03Å
114H92.5Very high93.6Very high124 Ų12466.6 Ų66.657%0.57437%0.369SS*.  trans-13365.8-174.4-56-50.9000111.2S110 V116 P123S110-H114 WeakPolarHBondContact O-CB 3.34Å; S110-H114 PolarHBondContact O-N 3.35Å; S110-H114 VanDerWaalsContact O-N 3.11Å; H114-V116 PolarHBondContact O-N 2.8Å; H114-P123 WeakPolarHBondContact O-CG 3.5Å
115P89.3Confident93.5Very high81 Ų8169.5 Ų69.553%0.52639%0.389SS..SBendtrans-60.6-22-176.925.3-35.4000113.2Q111 P123Q111-P115 WeakPolarHBondContact O-CA 3.46Å; P115-P123 VanDerWaalsContact O-CD 3.28Å; P115-P123 WeakPolarHBondContact O-CD 3.47Å
116V90Very high93.5Very high103 Ų10371 Ų7162%0.62440%0.402SS*.SBendtrans-123.7113.1169.2-175.50000107.9H114H114-V116 PolarHBondContact O-N 2.8Å
117G82.7Confident93.5Very high28 Ų2870 Ų7029%0.28940%0.396SS..  trans-83-173.7176.900000113.1L119 G120 R121G117-L119 PolarHBondContact O-N 3.17Å; G117-G120 PolarHBondContact O-N 2.93Å; G117-G120 VanDerWaalsContact O-N 3.12Å; G117-R121 PolarHBondContact N-O 3.45Å
118E87.9Confident93.6Very high153 Ų15373.3 Ų73.372%0.71542%0.416SS*.G310 helixtrans-52.2140.1174.8-66.3177.4175.200112G120 R121E118-G120 PolarHBondContact O-N 2.69Å; E118-R121 WeakPolarHBondContact O-CG 3.2Å; E118-R121 PolarHBondContact O-N 2.89Å; E118-R121 PolarHBondContact O-NE 3.26Å; E118-R121 VanDerWaalsContact O-NE 3.15Å; E118-R121 IonicContact OE2-NH2 3.13Å
119L92.4Very high93.5Very high170 Ų17074.5 Ų74.589%0.8943%0.429SS*.G310 helixtrans61.422.5-177.7-52.1173.8000113.9G117 R121G117-L119 PolarHBondContact O-N 3.17Å; L119-R121 VanDerWaalsContact C-N 3.28Å; L119-R121 PolarHBondContact O-N 2.92Å
120G92.3Very high93.5Very high54 Ų5477.9 Ų77.956%0.55745%0.449SS*.G310 helixtrans75.116.4179.100000113.8G117 E118G117-G120 PolarHBondContact O-N 2.93Å; G117-G120 VanDerWaalsContact O-N 3.12Å; E118-G120 PolarHBondContact O-N 2.69Å
121R92.1Very high93.6Very high150 Ų15078.6 Ų78.657%0.56646%0.461SS*.PPolyproline II helixtrans-74.5139.8-179.1-66.6-176.8-64.6174.60.8111.1G117 E118 L119G117-R121 PolarHBondContact N-O 3.45Å; E118-R121 WeakPolarHBondContact O-CG 3.2Å; E118-R121 PolarHBondContact O-N 2.89Å; E118-R121 PolarHBondContact O-NE 3.26Å; E118-R121 VanDerWaalsContact O-NE 3.15Å; E118-R121 IonicContact OE2-NH2 3.13Å; L119-R121 VanDerWaalsContact C-N 3.28Å; L119-R121 PolarHBondContact O-N 2.92Å
122V91.6Very high93.7Very high128 Ų12878.2 Ų78.278%0.77646%0.459SS*.PPolyproline II helixtrans-76.2130.2169.1-179.30000108.5
123P92.5Very high93.9Very high25 Ų2577.6 Ų77.616%0.16246%0.455CS..PPolyproline II helixtrans-60.7145.5175.8-20.130.1000111.8Q111 H114 P115Q111-P123 HydrophobicContact CG-CB 3.97Å; H114-P123 WeakPolarHBondContact O-CG 3.5Å; P115-P123 VanDerWaalsContact O-CD 3.28Å; P115-P123 WeakPolarHBondContact O-CD 3.47Å
124P95.2Very high94Very high59 Ų5977.3 Ų77.338%0.38346%0.457SS..PPolyproline II helixtrans-70.9136.9-177.225.1-28.1000111.5L107 Q111 L127L107-P124 HydrophobicContact CD1-CG 4.1Å; L107-P124 WeakPolarHBondContact CD1-O 3.29Å; Q111-P124 PolarHBondContact NE2-O 3.28Å; P124-L127 HydrophobicContact CB-CD2 4.09Å; P124-L127 HydrophobicContact CB-CG 4.45Å; P124-L127 HydrophobicContact CG-CD1 4.48Å; P124-L127 HydrophobicContact CG-CD2 3.85Å; P124-L127 HydrophobicContact CG-CG 4.13Å
125S96.7Very high94.3Very high61 Ų6174.2 Ų74.243%0.42744%0.44SS..SBendtrans-74.4-29.9168.9-55.20000112.3A89 G90A89-S125 CarbonylContact C-O 3.57Å; A89-S125 WeakPolarHBondContact CA-O 3.42Å; G90-S125 PolarHBondContact N-O 3.49Å
126V98.3Very high94.7Very high59 Ų5970.4 Ų70.436%0.35842%0.415SS..EExtended strand (participates in β ladder)trans-138.4134.5-177.8-1770000110.3F88 G90 V128F88-V126 HydrophobicContact CE1-CG2 4.07Å; G90-V126 VanDerWaalsContact O-CA 3.31Å; G90-V126 WeakPolarHBondContact O-CA 3.34Å; V126-V128 HydrophobicContact CG1-CG1 3.82Å
127L98.3Very high95Very high35 Ų3567.4 Ų67.418%0.18340%0.401CS..EExtended strand (participates in β ladder)trans-117.9141.2166.9-66.9174.8000109.1G90 I91 G92 L107 P124 A132 W135G90-L127 PolarHBondContact O-N 2.79Å; G90-L127 VanDerWaalsContact O-N 3.13Å; I91-L127 VanDerWaalsContact CA-O 3.25Å; I91-L127 WeakPolarHBondContact CA-O 3.07Å; G92-L127 PolarHBondContact N-O 2.81Å; G92-L127 VanDerWaalsContact N-O 3.09Å; L107-L127 HydrophobicContact CD1-CD1 4.2Å; L107-L127 HydrophobicContact CD2-CD1 4.34Å; L107-L127 HydrophobicContact CD2-CG 4.14Å; P124-L127 HydrophobicContact CB-CD2 4.09Å; P124-L127 HydrophobicContact CB-CG 4.45Å; P124-L127 HydrophobicContact CG-CD1 4.48Å; P124-L127 HydrophobicContact CG-CD2 3.85Å; P124-L127 HydrophobicContact CG-CG 4.13Å; L127-A132 HydrophobicContact CB-CB 3.75Å; L127-W135 HydrophobicContact CD1-CB 3.97Å; L127-W135 HydrophobicContact CD1-CD2 3.59Å; L127-W135 HydrophobicContact CD1-CE3 3.96Å; L127-W135 HydrophobicContact CD1-CG 3.58Å
128V98.3Very high95.7Very high70 Ų7070 Ų7042%0.42442%0.415SS..EExtended strand (participates in β ladder)trans-133.2161.4-179.5-58.50000113.7G92 V126 A132 L227G92-V128 CarbonylContact O-C 3.46Å; G92-V128 WeakPolarHBondContact O-CA 3.38Å; G92-V128 VanDerWaalsContact O-CB 3.28Å; G92-V128 WeakPolarHBondContact O-CB 3.46Å; V126-V128 HydrophobicContact CG1-CG1 3.82Å; V128-A132 PolarHBondContact O-N 2.68Å; V128-L227 HydrophobicContact CG1-CD1 4.08Å; V128-L227 HydrophobicContact CG1-CD2 4.04Å
129G96.9Very high96.1Very high26 Ų2668.2 Ų68.227%0.26841%0.405SS..Hα-helixtrans58.7-142170.500000113.6G92 A93 G131 A132 H133G92-G129 PolarHBondContact O-N 3.42Å; A93-G129 WeakPolarHBondContact O-CA 3.4Å; G129-G131 VanDerWaalsContact C-N 3.33Å; G129-G131 PolarHBondContact O-N 3.35Å; G129-A132 PolarHBondContact O-N 3.18Å; G129-H133 PolarHBondContact O-N 3.19Å
130D96.7Very high96.3Very high124 Ų12463.4 Ų63.466%0.66340%0.397SS*.Hα-helixtrans-62.4-38.3-177.9-167.362.5000112.5A132 H133 V134D130-A132 VanDerWaalsContact C-N 3.31Å; D130-A132 PolarHBondContact O-N 3.06Å; D130-H133 WeakPolarHBondContact O-CB 3.5Å; D130-H133 PolarHBondContact O-N 3.01Å; D130-H133 VanDerWaalsContact O-N 3.09Å; D130-V134 WeakPolarHBondContact O-CG2 3.37Å; D130-V134 PolarHBondContact O-N 3.33Å
131G97.5Very high96.4Very high49 Ų4964.5 Ų64.551%0.50538%0.384SS..Hα-helixtrans-61.2-38.9176.500000112.9G129 W135G129-G131 VanDerWaalsContact C-N 3.33Å; G129-G131 PolarHBondContact O-N 3.35Å; G131-W135 VanDerWaalsContact O-CB 3.27Å; G131-W135 WeakPolarHBondContact O-CB 3.32Å; G131-W135 PolarHBondContact O-N 3.13Å; G131-W135 VanDerWaalsContact O-N 3.07Å
132A97.7Very high96.6Very high1 Ų160.2 Ų60.21%0.00838%0.377CS..Hα-helixtrans-69-38.617300000112.5V94 L127 V128 G129 D130 W135 A136V94-A132 HydrophobicContact CG1-CB 4.2Å; V94-A132 HydrophobicContact CG2-CB 3.49Å; V94-A132 VanDerWaalsContact CG2-CB 3.49Å; L127-A132 HydrophobicContact CB-CB 3.75Å; V128-A132 PolarHBondContact O-N 2.68Å; G129-A132 PolarHBondContact O-N 3.18Å; D130-A132 VanDerWaalsContact C-N 3.31Å; D130-A132 PolarHBondContact O-N 3.06Å; A132-W135 PolarHBondContact O-N 3.07Å; A132-A136 VanDerWaalsContact O-CB 3.25Å; A132-A136 WeakPolarHBondContact O-CB 3.36Å; A132-A136 PolarHBondContact O-N 3.44Å
133H97.5Very high96.8Very high40 Ų4056.6 Ų56.619%0.18536%0.355CS..Hα-helixtrans-61.6-51.7176.4172.2-98.9000111.7V94 M97 G129 D130 W135 A136 A137 S142V94-H133 HydrophobicContact CG1-CB 4.08Å; M97-H133 VanDerWaalsContact CE-CD2 3.44Å; M97-H133 WeakPolarHBondContact CE-CD2 3.09Å; G129-H133 PolarHBondContact O-N 3.19Å; D130-H133 WeakPolarHBondContact O-CB 3.5Å; D130-H133 PolarHBondContact O-N 3.01Å; D130-H133 VanDerWaalsContact O-N 3.09Å; H133-W135 VanDerWaalsContact C-N 3.3Å; H133-W135 PolarHBondContact O-N 3.11Å; H133-A136 PolarHBondContact O-N 3Å; H133-A137 WeakPolarHBondContact O-CB 3.22Å; H133-A137 PolarHBondContact O-N 2.92Å; H133-S142 PolarHBondContact NE2-OG 2.95Å
134V97.9Very high97Very high84 Ų8459.6 Ų59.651%0.50937%0.37SS..Hα-helixtrans-59.2-43.8177.5172.20000110.7D130 A137 S138D130-V134 WeakPolarHBondContact O-CG2 3.37Å; D130-V134 PolarHBondContact O-N 3.33Å; V134-A137 PolarHBondContact O-N 2.84Å; V134-S138 PolarHBondContact O-N 2.92Å
135W97.4Very high97.1Very high59 Ų5957.2 Ų57.222%0.22335%0.354CS..Hα-helixtrans-62-47.2176.7-175.189.7000112V103 L106 L107 L127 G131 A132 H133 A137 S138 K139V103-W135 HydrophobicContact CG1-CE3 4.04Å; V103-W135 HydrophobicContact CG1-CZ3 3.75Å; L106-W135 HydrophobicContact CB-CH2 3.93Å; L106-W135 HydrophobicContact CB-CZ3 4.31Å; L107-W135 HydrophobicContact CB-CH2 3.86Å; L107-W135 HydrophobicContact CB-CZ3 4.25Å; L107-W135 HydrophobicContact CD1-CH2 4.19Å; L107-W135 HydrophobicContact CD1-CZ2 4.06Å; L127-W135 HydrophobicContact CD1-CB 3.97Å; L127-W135 HydrophobicContact CD1-CD2 3.59Å; L127-W135 HydrophobicContact CD1-CE3 3.96Å; L127-W135 HydrophobicContact CD1-CG 3.58Å; G131-W135 VanDerWaalsContact O-CB 3.27Å; G131-W135 WeakPolarHBondContact O-CB 3.32Å; G131-W135 PolarHBondContact O-N 3.13Å; G131-W135 VanDerWaalsContact O-N 3.07Å; A132-W135 PolarHBondContact O-N 3.07Å; H133-W135 VanDerWaalsContact C-N 3.3Å; H133-W135 PolarHBondContact O-N 3.11Å; W135-A137 PolarHBondContact O-N 2.9Å; W135-S138 WeakPolarHBondContact O-CB 3.31Å; W135-S138 PolarHBondContact O-N 2.81Å; W135-S138 PolarHBondContact O-OG 2.97Å; W135-K139 HydrophobicContact CH2-CG 4.39Å; W135-K139 HydrophobicContact CZ2-CG 4.48Å; W135-K139 HydrophobicContact CZ3-CG 4.43Å; W135-K139 PolarHBondContact O-N 2.92Å
136A97.7Very high97.1Very high0 Ų057.9 Ų57.90%036%0.359CS..Hα-helixtrans-62.9-42.2177.800000112.2M97 V103 A132 H133 S138 K139 G140 Y141M97-A136 HydrophobicContact CE-CB 3.49Å; M97-A136 VanDerWaalsContact CE-CB 3.49Å; M97-A136 HydrophobicContact SD-CB 3.7Å; V103-A136 HydrophobicContact CG1-CB 3.61Å; V103-A136 HydrophobicContact CG2-CB 4.06Å; A132-A136 VanDerWaalsContact O-CB 3.25Å; A132-A136 WeakPolarHBondContact O-CB 3.36Å; A132-A136 PolarHBondContact O-N 3.44Å; H133-A136 PolarHBondContact O-N 3Å; A136-S138 VanDerWaalsContact C-N 3.28Å; A136-S138 PolarHBondContact O-N 3.33Å; A136-K139 CarbonylContact O-C 3.54Å; A136-K139 WeakPolarHBondContact O-CA 3.45Å; A136-K139 WeakPolarHBondContact O-CB 3.49Å; A136-K139 PolarHBondContact O-N 3.1Å; A136-G140 PolarHBondContact O-N 2.79Å; A136-Y141 CarbonylContact C-O 3.54Å; A136-Y141 PolarHBondContact O-N 3.33Å
137A97.7Very high97Very high41 Ų4160.7 Ų60.734%0.33937%0.372SS..Hα-helixtrans-59.9-39175.700000111.4H133 V134 W135 K139 G140 Y141H133-A137 WeakPolarHBondContact O-CB 3.22Å; H133-A137 PolarHBondContact O-N 2.92Å; V134-A137 PolarHBondContact O-N 2.84Å; W135-A137 PolarHBondContact O-N 2.9Å; A137-K139 PolarHBondContact O-N 3.46Å; A137-K139 VanDerWaalsContact O-N 3.16Å; A137-G140 PolarHBondContact O-N 3.17Å; A137-Y141 WeakPolarHBondContact CA-O 3.12Å; A137-Y141 PolarHBondContact N-O 3.16Å
138S97.3Very high96.9Very high83 Ų8359.3 Ų59.358%0.5836%0.364SS*.Hα-helixtrans-62.4-19.217484.50000114V134 W135 A136V134-S138 PolarHBondContact O-N 2.92Å; W135-S138 WeakPolarHBondContact O-CB 3.31Å; W135-S138 PolarHBondContact O-N 2.81Å; W135-S138 PolarHBondContact O-OG 2.97Å; A136-S138 VanDerWaalsContact C-N 3.28Å; A136-S138 PolarHBondContact O-N 3.33Å
139K96.4Very high96.8Very high115 Ų11557.8 Ų57.850%0.536%0.356SS..THydrogen-bonded Turntrans-97.36.4174.9-54.3-55.1-179.6-177.70113.1L106 W135 A136 A137 Y141L106-K139 HydrophobicContact CD1-CB 3.8Å; L106-K139 HydrophobicContact CD1-CG 4.26Å; W135-K139 HydrophobicContact CH2-CG 4.39Å; W135-K139 HydrophobicContact CZ2-CG 4.48Å; W135-K139 HydrophobicContact CZ3-CG 4.43Å; W135-K139 PolarHBondContact O-N 2.92Å; A136-K139 CarbonylContact O-C 3.54Å; A136-K139 WeakPolarHBondContact O-CA 3.45Å; A136-K139 WeakPolarHBondContact O-CB 3.49Å; A136-K139 PolarHBondContact O-N 3.1Å; A137-K139 PolarHBondContact O-N 3.46Å; A137-K139 VanDerWaalsContact O-N 3.16Å; K139-Y141 HydrophobicContact CB-CD2 4.17Å; K139-Y141 WeakPolarHBondContact O-CD2 3.35Å
140G96.7Very high96.7Very high69 Ų6957.7 Ų57.771%0.71135%0.35SS*.THydrogen-bonded Turntrans83.313-177.400000114.6A136 A137A136-G140 PolarHBondContact O-N 2.79Å; A137-G140 PolarHBondContact O-N 3.17Å
141Y94.8Very high96.6Very high77 Ų7760.9 Ų60.930%0.30236%0.358SS..  trans-105.895.3177.9-72.5-99.5000110.2M97 K102 V103 L106 A136 A137 K139M97-Y141 VanDerWaalsContact CE-O 3.26Å; M97-Y141 WeakPolarHBondContact CE-O 3.4Å; K102-Y141 HydrophobicContact CB-CD1 4.36Å; K102-Y141 HydrophobicContact CB-CE1 3.65Å; K102-Y141 HydrophobicContact CD-CE1 3.95Å; K102-Y141 HydrophobicContact CG-CE1 4.46Å; V103-Y141 HydrophobicContact CG2-CD1 4.19Å; V103-Y141 HydrophobicContact CG2-CG 4.18Å; L106-Y141 HydrophobicContact CD1-CD2 3.57Å; L106-Y141 HydrophobicContact CD1-CE2 3.35Å; L106-Y141 HydrophobicContact CD1-CG 4.48Å; L106-Y141 HydrophobicContact CG-CE2 4.38Å; A136-Y141 CarbonylContact C-O 3.54Å; A136-Y141 PolarHBondContact O-N 3.33Å; A137-Y141 WeakPolarHBondContact CA-O 3.12Å; A137-Y141 PolarHBondContact N-O 3.16Å; K139-Y141 HydrophobicContact CB-CD2 4.17Å; K139-Y141 WeakPolarHBondContact O-CD2 3.35Å
142S95.6Very high96.3Very high60 Ų6061.7 Ų61.742%0.4235%0.348SS..  trans-161.9139.3169.7-174.10000109.2N96 H133N96-S142 WeakPolarHBondContact O-CA 3.44Å; H133-S142 PolarHBondContact NE2-OG 2.95Å
143V96.2Very high96.1Very high51 Ų5161.9 Ų61.931%0.30935%0.349SS..  trans-134.2164172.8-62.70000109.7N96 K98 N145 L148N96-V143 WeakPolarHBondContact CA-O 3.41Å; N96-V143 WeakPolarHBondContact CB-O 3.36Å; N96-V143 PolarHBondContact ND2-O 3.08Å; N96-V143 WeakPolarHBondContact O-CG2 3.47Å; N96-V143 PolarHBondContact O-N 3.4Å; K98-V143 HydrophobicContact CB-CG1 4.34Å; K98-V143 HydrophobicContact CB-CG2 4.18Å; V143-N145 PolarHBondContact O-N 3.19Å; V143-L148 HydrophobicContact CG2-CD1 3.93Å; V143-L148 HydrophobicContact CG2-CD2 3.88Å; V143-L148 HydrophobicContact CG2-CG 3.95Å
144D96.4Very high96Very high88 Ų8864.8 Ų64.847%0.47136%0.358SS..  trans-64.6137.6171-163.1-65.3000109.9S146 D147D144-S146 VanDerWaalsContact CG-OG 3.31Å; D144-S146 PolarHBondContact O-N 2.68Å; D144-S146 VanDerWaalsContact OD1-CB 3.27Å; D144-S146 WeakPolarHBondContact OD1-CB 3.36Å; D144-S146 PolarHBondContact OD1-N 2.8Å; D144-S146 PolarHBondContact OD1-OG 2.57Å; D144-D147 PolarHBondContact O-N 2.84Å
145N96.9Very high95.8Very high10 Ų1065.1 Ų65.15%0.05336%0.361CS..SBendtrans-65-32.3179.6-163.7-104.1000112Y73 V74 N96 V143 D147 L148Y73-N145 WeakPolarHBondContact CA-OD1 3.33Å; Y73-N145 WeakPolarHBondContact CD1-OD1 3.44Å; V74-N145 PolarHBondContact N-OD1 3.38Å; V74-N145 PolarHBondContact O-ND2 2.93Å; N96-N145 PolarHBondContact N-ND2 3.16Å; N96-N145 PolarHBondContact ND2-N 3.05Å; V143-N145 PolarHBondContact O-N 3.19Å; N145-D147 PolarHBondContact O-N 2.94Å; N145-L148 WeakPolarHBondContact O-CB 3.2Å; N145-L148 PolarHBondContact O-N 2.83Å
146S96.3Very high95.5Very high75 Ų7563 Ų6352%0.52436%0.355SS..G310 helixtrans-63-30.9178.663.90000112.5D144 L148 V149D144-S146 VanDerWaalsContact CG-OG 3.31Å; D144-S146 PolarHBondContact O-N 2.68Å; D144-S146 VanDerWaalsContact OD1-CB 3.27Å; D144-S146 WeakPolarHBondContact OD1-CB 3.36Å; D144-S146 PolarHBondContact OD1-N 2.8Å; D144-S146 PolarHBondContact OD1-OG 2.57Å; S146-L148 PolarHBondContact O-N 3.2Å; S146-V149 PolarHBondContact O-N 3.45Å
147D96Very high95.3Very high118 Ų11864.2 Ų64.263%0.63136%0.359SS*.G310 helixtrans-67.9-20175.1-66.2-27.8000112.9D144 N145D144-D147 PolarHBondContact O-N 2.84Å; N145-D147 PolarHBondContact O-N 2.94Å
148L96.7Very high95.2Very high5 Ų566.6 Ų66.63%0.02636%0.364CS..G310 helixtrans-88.4-17177.5-55.8176.2000112.6G65 V74 M97 K98 V143 N145 S146 T150G65-L148 PolarHBondContact N-O 3.44Å; G65-L148 VanDerWaalsContact N-O 3.09Å; V74-L148 HydrophobicContact CB-CB 3.96Å; V74-L148 HydrophobicContact CB-CD1 4.34Å; V74-L148 HydrophobicContact CG1-CB 4.08Å; V74-L148 HydrophobicContact CG1-CD1 4.02Å; V74-L148 HydrophobicContact CG2-CB 3.83Å; M97-L148 WeakPolarHBondContact O-CD1 3.37Å; K98-L148 HydrophobicContact CB-CD2 4.08Å; K98-L148 HydrophobicContact CG-CD2 4.22Å; V143-L148 HydrophobicContact CG2-CD1 3.93Å; V143-L148 HydrophobicContact CG2-CD2 3.88Å; V143-L148 HydrophobicContact CG2-CG 3.95Å; N145-L148 WeakPolarHBondContact O-CB 3.2Å; N145-L148 PolarHBondContact O-N 2.83Å; S146-L148 PolarHBondContact O-N 3.2Å; L148-T150 PolarHBondContact O-N 2.8Å
149V96.4Very high94.8Very high39 Ų3965.9 Ų65.924%0.23635%0.35CS..  trans-83.7109.9-178.6179.60000109.8L68 V74 S146 R154L68-V149 HydrophobicContact CD1-CG1 3.94Å; L68-V149 HydrophobicContact CD2-CG1 4.4Å; L68-V149 HydrophobicContact CD2-CG2 3.97Å; V74-V149 HydrophobicContact CG2-CG2 4.05Å; S146-V149 PolarHBondContact O-N 3.45Å; V149-R154 HydrophobicContact CG1-CB 4.07Å
150T94.7Very high94.5Very high24 Ų2463.3 Ų63.315%0.14734%0.338CS..  trans-83.8159.2176.170.50000111.4P58 I64 L148 H152 S153 R154P58-T150 HydrophobicContact CB-CG2 4.07Å; P58-T150 HydrophobicContact CG-CG2 4.16Å; I64-T150 HydrophobicContact CD1-CG2 4.27Å; I64-T150 HydrophobicContact CG1-CG2 3.7Å; L148-T150 PolarHBondContact O-N 2.8Å; T150-H152 PolarHBondContact O-N 3.1Å; T150-S153 PolarHBondContact N-OG 3.01Å; T150-S153 PolarHBondContact O-N 3.1Å; T150-S153 PolarHBondContact O-OG 2.83Å; T150-S153 VanDerWaalsContact O-OG 3.11Å; T150-S153 PolarHBondContact OG1-N 3.43Å; T150-S153 PolarHBondContact OG1-OG 2.94Å; T150-S153 VanDerWaalsContact OG1-OG 3.09Å; T150-R154 WeakPolarHBondContact O-CB 3.4Å; T150-R154 PolarHBondContact O-N 3.24Å
151K95Very high94.2Very high191 Ų19164.1 Ų64.183%0.8332%0.321SS*.Hα-helixtrans-53.1-40.3171.4-66.5-177.5-179.7179.90111.8V155K151-V155 VanDerWaalsContact O-CG2 3.3Å; K151-V155 WeakPolarHBondContact O-CG2 3.22Å; K151-V155 PolarHBondContact O-N 3.47Å
152H91Very high94Very high66 Ų6662 Ų6231%0.30632%0.318SS..Hα-helixtrans-66-47.5179.617969.9000112.4T150 R154 V155 S156 R195T150-H152 PolarHBondContact O-N 3.1Å; H152-R154 VanDerWaalsContact C-N 3.34Å; H152-R154 PolarHBondContact O-N 2.94Å; H152-V155 PolarHBondContact O-N 3.48Å; H152-S156 WeakPolarHBondContact O-CB 3.34Å; H152-S156 PolarHBondContact O-N 2.91Å; H152-R195 PolarHBondContact CE1-NH1 2.93Å; H152-R195 PolarHBondContact NE2-NH1 2.72Å; H152-R195 VanDerWaalsContact NE2-NH1 3.13Å; H152-R195 PolarHBondContact NE2-NH2 2.87Å
153S92.9Very high93.6Very high4 Ų461.5 Ų61.53%0.02831%0.307CS..Hα-helixtrans-66.5-36.5178.758.50000111.8S66 T150 S156 W157S66-S153 WeakPolarHBondContact O-CB 3.03Å; T150-S153 PolarHBondContact N-OG 3.01Å; T150-S153 PolarHBondContact O-N 3.1Å; T150-S153 PolarHBondContact O-OG 2.83Å; T150-S153 VanDerWaalsContact O-OG 3.11Å; T150-S153 PolarHBondContact OG1-N 3.43Å; T150-S153 PolarHBondContact OG1-OG 2.94Å; T150-S153 VanDerWaalsContact OG1-OG 3.09Å; S153-S156 PolarHBondContact O-N 3.34Å; S153-W157 WeakPolarHBondContact O-CB 3.43Å; S153-W157 PolarHBondContact O-N 2.97Å
154R95.1Very high92.9Very high101 Ų10164 Ų6438%0.38132%0.318SS..Hα-helixtrans-63-48.8174.4-168.968.6173.873.87112.8V149 T150 H152 S156 W157 E158V149-R154 HydrophobicContact CG1-CB 4.07Å; T150-R154 WeakPolarHBondContact O-CB 3.4Å; T150-R154 PolarHBondContact O-N 3.24Å; H152-R154 VanDerWaalsContact C-N 3.34Å; H152-R154 PolarHBondContact O-N 2.94Å; R154-S156 VanDerWaalsContact C-N 3.34Å; R154-S156 PolarHBondContact O-N 2.86Å; R154-W157 WeakPolarHBondContact O-CB 3.35Å; R154-W157 PolarHBondContact O-N 3Å; R154-E158 IonicContact CZ-OE1 3.06Å; R154-E158 VanDerWaalsContact CZ-OE1 3.27Å; R154-E158 IonicContact NH1-OE1 3.23Å; R154-E158 PolarHBondContact NH1-OE1 3.23Å; R154-E158 IonicContact NH2-OE1 3.1Å; R154-E158 PolarHBondContact NH2-OE1 2.84Å; R154-E158 WeakPolarHBondContact O-CG 3.36Å; R154-E158 PolarHBondContact O-N 3.2Å
155V94.1Very high92.4Very high91 Ų9165.4 Ų65.455%0.55232%0.32SS*.Hα-helixtrans-62.8-42.6177.3168.60000111K151 H152 W157 E158 K159K151-V155 VanDerWaalsContact O-CG2 3.3Å; K151-V155 WeakPolarHBondContact O-CG2 3.22Å; K151-V155 PolarHBondContact O-N 3.47Å; H152-V155 PolarHBondContact O-N 3.48Å; V155-W157 VanDerWaalsContact C-N 3.31Å; V155-W157 PolarHBondContact O-N 3Å; V155-E158 PolarHBondContact O-N 3.33Å; V155-K159 PolarHBondContact O-N 3.4Å; V155-K159 VanDerWaalsContact O-N 3.12Å
156S91.3Very high91.7Very high15 Ų1570.2 Ų70.211%0.10535%0.346CS..Hα-helixtrans-58.8-45.4175.5-168.50000110.9H152 S153 R154 K159 Y160 R195H152-S156 WeakPolarHBondContact O-CB 3.34Å; H152-S156 PolarHBondContact O-N 2.91Å; S153-S156 PolarHBondContact O-N 3.34Å; R154-S156 VanDerWaalsContact C-N 3.34Å; R154-S156 PolarHBondContact O-N 2.86Å; S156-K159 PolarHBondContact O-N 2.86Å; S156-Y160 WeakPolarHBondContact O-CD2 3.26Å; S156-Y160 PolarHBondContact O-N 2.7Å; S156-Y160 WeakPolarHBondContact OG-CE2 3.42Å; S156-R195 PolarHBondContact OG-NH2 3.45Å
157W94.1Very high90.4Very high25 Ų2569.6 Ų69.610%0.09535%0.352CS..Hα-helixtrans-63-43.9178.1178.585000113L68 S69 I70 S153 R154 V155 K159 Y160 K161 M221L68-W157 HydrophobicContact CB-CB 4.09Å; L68-W157 HydrophobicContact CB-CG 3.95Å; L68-W157 HydrophobicContact CD1-CB 3.76Å; L68-W157 HydrophobicContact CD1-CG 4.01Å; L68-W157 HydrophobicContact CG-CB 4.22Å; L68-W157 HydrophobicContact CG-CG 4.49Å; S69-W157 VanDerWaalsContact O-CD1 3.27Å; S69-W157 PolarHBondContact O-NE1 3.19Å; I70-W157 WeakPolarHBondContact O-CZ2 3.37Å; S153-W157 WeakPolarHBondContact O-CB 3.43Å; S153-W157 PolarHBondContact O-N 2.97Å; R154-W157 WeakPolarHBondContact O-CB 3.35Å; R154-W157 PolarHBondContact O-N 3Å; V155-W157 VanDerWaalsContact C-N 3.31Å; V155-W157 PolarHBondContact O-N 3Å; W157-K159 VanDerWaalsContact C-N 3.28Å; W157-K159 PolarHBondContact O-N 3.26Å; W157-Y160 PolarHBondContact O-N 3.37Å; W157-K161 HydrophobicContact CE3-CD 4.32Å; W157-K161 HydrophobicContact CH2-CD 3.56Å; W157-K161 HydrophobicContact CZ2-CD 3.76Å; W157-K161 HydrophobicContact CZ3-CD 3.81Å; W157-K161 VanDerWaalsContact O-CB 3.24Å; W157-K161 WeakPolarHBondContact O-CB 3.44Å; W157-K161 PolarHBondContact O-N 2.97Å; W157-M221 HydrophobicContact CG-SD 4.09Å; W157-M221 PolarHBondContact NE1-SD 3.09Å; W157-M221 VanDerWaalsContact NE1-SD 3.39Å
158E94.5Very high88.6Confident92 Ų9268.1 Ų68.143%0.4334%0.344SS..Hα-helixtrans-59.2-41.5176.6-70.9174.5161.700112R154 V155 K161 S162R154-E158 IonicContact CZ-OE1 3.06Å; R154-E158 VanDerWaalsContact CZ-OE1 3.27Å; R154-E158 IonicContact NH1-OE1 3.23Å; R154-E158 PolarHBondContact NH1-OE1 3.23Å; R154-E158 IonicContact NH2-OE1 3.1Å; R154-E158 PolarHBondContact NH2-OE1 2.84Å; R154-E158 WeakPolarHBondContact O-CG 3.36Å; R154-E158 PolarHBondContact O-N 3.2Å; V155-E158 PolarHBondContact O-N 3.33Å; E158-K161 PolarHBondContact O-N 3.16Å; E158-S162 WeakPolarHBondContact O-CB 3.48Å; E158-S162 PolarHBondContact O-N 3.09Å
159K90.6Very high86.4Confident67 Ų6775 Ų7529%0.29138%0.376SS..Hα-helixtrans-61.5-51.1175.9-177.5173.3176.7176.40111.5V155 S156 W157 K161 S162 W163 T174V155-K159 PolarHBondContact O-N 3.4Å; V155-K159 VanDerWaalsContact O-N 3.12Å; S156-K159 PolarHBondContact O-N 2.86Å; W157-K159 VanDerWaalsContact C-N 3.28Å; W157-K159 PolarHBondContact O-N 3.26Å; K159-K161 PolarHBondContact O-N 3.23Å; K159-S162 PolarHBondContact O-N 3.48Å; K159-W163 HydrophobicContact CD-CH2 4.18Å; K159-W163 HydrophobicContact CD-CZ2 4.12Å; K159-W163 HydrophobicContact CG-CD2 4.34Å; K159-W163 HydrophobicContact CG-CH2 4.18Å; K159-W163 HydrophobicContact CG-CZ2 3.95Å; K159-W163 HydrophobicContact CG-CZ3 4.41Å; K159-W163 PolarHBondContact O-N 2.93Å; K159-W163 VanDerWaalsContact O-N 3.15Å; K159-T174 PolarHBondContact NZ-O 2.71Å
160Y90Very high84.1Confident62 Ų6277.9 Ų77.924%0.24339%0.388CS..Hα-helixtrans-65-37.6178.1-77-71.9000112.7S156 W157 W163 L164 A220 M221S156-Y160 WeakPolarHBondContact O-CD2 3.26Å; S156-Y160 PolarHBondContact O-N 2.7Å; S156-Y160 WeakPolarHBondContact OG-CE2 3.42Å; W157-Y160 PolarHBondContact O-N 3.37Å; Y160-W163 AromaticContact CD1-CE3 3.56Å; Y160-W163 HydrophobicContact CD1-CE3 3.56Å; Y160-W163 AromaticContact CD1-CZ3 3.71Å; Y160-W163 HydrophobicContact CD1-CZ3 3.71Å; Y160-W163 AromaticContact CE1-CE3 3.9Å; Y160-W163 HydrophobicContact CE1-CE3 3.9Å; Y160-W163 AromaticContact CE1-CZ3 3.55Å; Y160-W163 HydrophobicContact CE1-CZ3 3.55Å; Y160-W163 HydrophobicContact CG-CE3 4.27Å; Y160-W163 HydrophobicContact CG-CZ3 4.47Å; Y160-W163 PolarHBondContact O-N 3.36Å; Y160-L164 WeakPolarHBondContact O-CB 3.39Å; Y160-L164 PolarHBondContact O-N 2.96Å; Y160-A220 HydrophobicContact CD2-CB 3.64Å; Y160-A220 HydrophobicContact CE2-CB 3.73Å; Y160-A220 HydrophobicContact CG-CB 4.11Å; Y160-M221 VanDerWaalsContact CB-CG 3.47Å; Y160-M221 HydrophobicContact CG-CG 4.4Å
161K90.6Very high81.5Confident85 Ų8580.9 Ų80.937%0.3740%0.403SS..Hα-helixtrans-62-43.7175.1-172174.3-178171.40111.3W157 E158 K159 W163 L164 F165 M221W157-K161 HydrophobicContact CE3-CD 4.32Å; W157-K161 HydrophobicContact CH2-CD 3.56Å; W157-K161 HydrophobicContact CZ2-CD 3.76Å; W157-K161 HydrophobicContact CZ3-CD 3.81Å; W157-K161 VanDerWaalsContact O-CB 3.24Å; W157-K161 WeakPolarHBondContact O-CB 3.44Å; W157-K161 PolarHBondContact O-N 2.97Å; E158-K161 PolarHBondContact O-N 3.16Å; K159-K161 PolarHBondContact O-N 3.23Å; K161-W163 VanDerWaalsContact C-N 3.33Å; K161-W163 PolarHBondContact O-N 3.37Å; K161-L164 PolarHBondContact O-N 2.7Å; K161-F165 HydrophobicContact CG-CD2 3.61Å; K161-F165 HydrophobicContact CG-CE2 3.89Å; K161-F165 WeakPolarHBondContact O-CD2 3.48Å; K161-F165 PolarHBondContact O-N 3.08Å; K161-M221 HydrophobicContact CB-CE 3.91Å; K161-M221 HydrophobicContact CB-SD 4.2Å; K161-M221 HydrophobicContact CG-CE 4.14Å
162S89.6Confident78.9Confident34 Ų3474 Ų7424%0.23838%0.382CS..Hα-helixtrans-60.5-41.5175.4177.40000112.2E158 K159 N166 N168E158-S162 WeakPolarHBondContact O-CB 3.48Å; E158-S162 PolarHBondContact O-N 3.09Å; K159-S162 PolarHBondContact O-N 3.48Å; S162-N166 VanDerWaalsContact O-CB 3.24Å; S162-N166 WeakPolarHBondContact O-CB 3.44Å; S162-N166 PolarHBondContact O-N 3.43Å; S162-N168 PolarHBondContact OG-ND2 2.89Å
163W86.7Confident76.2Confident48 Ų4875.6 Ų75.618%0.18240%0.396CS..Hα-helixtrans-65.9-42.3176.3-65.4-28.5000112.9K159 Y160 K161 M170K159-W163 HydrophobicContact CD-CH2 4.18Å; K159-W163 HydrophobicContact CD-CZ2 4.12Å; K159-W163 HydrophobicContact CG-CD2 4.34Å; K159-W163 HydrophobicContact CG-CH2 4.18Å; K159-W163 HydrophobicContact CG-CZ2 3.95Å; K159-W163 HydrophobicContact CG-CZ3 4.41Å; K159-W163 PolarHBondContact O-N 2.93Å; K159-W163 VanDerWaalsContact O-N 3.15Å; Y160-W163 AromaticContact CD1-CE3 3.56Å; Y160-W163 HydrophobicContact CD1-CE3 3.56Å; Y160-W163 AromaticContact CD1-CZ3 3.71Å; Y160-W163 HydrophobicContact CD1-CZ3 3.71Å; Y160-W163 AromaticContact CE1-CE3 3.9Å; Y160-W163 HydrophobicContact CE1-CE3 3.9Å; Y160-W163 AromaticContact CE1-CZ3 3.55Å; Y160-W163 HydrophobicContact CE1-CZ3 3.55Å; Y160-W163 HydrophobicContact CG-CE3 4.27Å; Y160-W163 HydrophobicContact CG-CZ3 4.47Å; Y160-W163 PolarHBondContact O-N 3.36Å; K161-W163 VanDerWaalsContact C-N 3.33Å; K161-W163 PolarHBondContact O-N 3.37Å; W163-M170 HydrophobicContact CD2-CG 4.03Å; W163-M170 HydrophobicContact CE3-CE 3.84Å; W163-M170 HydrophobicContact CE3-CG 4.01Å; W163-M170 HydrophobicContact CH2-CE 4.46Å; W163-M170 HydrophobicContact CH2-CG 4.07Å; W163-M170 HydrophobicContact CH2-SD 4.42Å; W163-M170 HydrophobicContact CZ2-CG 4.12Å; W163-M170 HydrophobicContact CZ3-CE 3.72Å; W163-M170 HydrophobicContact CZ3-CG 4.06Å; W163-M170 HydrophobicContact CZ3-SD 4.24Å
164L83.1Confident73.5Confident103 Ų10378.4 Ų78.454%0.53941%0.413SS..Hα-helixtrans-70-40.8-175.6-172.263.5000112.7Y160 K161 M221Y160-L164 WeakPolarHBondContact O-CB 3.39Å; Y160-L164 PolarHBondContact O-N 2.96Å; K161-L164 PolarHBondContact O-N 2.7Å; L164-M221 HydrophobicContact CD2-CE 4.13Å
165F84.8Confident70.7Confident118 Ų11883.6 Ų83.652%0.51843%0.433SS..Hα-helixtrans-102.7-28.5-170.8-66.3-72000114.7I70 K161 M221I70-F165 HydrophobicContact CD1-CZ 4.12Å; I70-F165 HydrophobicContact CG1-CZ 4.27Å; K161-F165 HydrophobicContact CG-CD2 3.61Å; K161-F165 HydrophobicContact CG-CE2 3.89Å; K161-F165 WeakPolarHBondContact O-CD2 3.48Å; K161-F165 PolarHBondContact O-N 3.08Å; F165-M221 HydrophobicContact CE2-CE 4.06Å
166N82.3Confident68Low112 Ų11281 Ų8160%0.59942%0.416SS*.SBendtrans-96.31.9-174.9-56.2-9.4000112.6S162 N168S162-N166 VanDerWaalsContact O-CB 3.24Å; S162-N166 WeakPolarHBondContact O-CB 3.44Å; S162-N166 PolarHBondContact O-N 3.43Å; N166-N168 PolarHBondContact O-N 3.13Å
167G68.6Low65.3Low62 Ų6285.2 Ų85.264%0.63944%0.443SS*.  trans59.814.2-174.400000113.3E169G167-E169 PolarHBondContact O-N 2.8Å
168N58.6Low62.6Low86 Ų8688.7 Ų88.746%0.4646%0.46SS..  trans-59.6104.5168.7-78.5-11.8000105.6S162 N166S162-N168 PolarHBondContact OG-ND2 2.89Å; N166-N168 PolarHBondContact O-N 3.13Å
169E50.7Low60.2Low150 Ų15088.3 Ų88.370%0.70146%0.457SS*.  trans-49.3150.3173.3-74.1-169.1160.900108.4G167 N171G167-E169 PolarHBondContact O-N 2.8Å; E169-N171 PolarHBondContact O-N 3.01Å
170M47Very low57.3Low100 Ų10090.1 Ų90.149%0.49347%0.47SS..  trans-62.179.6157-77-168.6-167.100106.6W163 A172W163-M170 HydrophobicContact CD2-CG 4.03Å; W163-M170 HydrophobicContact CE3-CE 3.84Å; W163-M170 HydrophobicContact CE3-CG 4.01Å; W163-M170 HydrophobicContact CH2-CE 4.46Å; W163-M170 HydrophobicContact CH2-CG 4.07Å; W163-M170 HydrophobicContact CH2-SD 4.42Å; W163-M170 HydrophobicContact CZ2-CG 4.12Å; W163-M170 HydrophobicContact CZ3-CE 3.72Å; W163-M170 HydrophobicContact CZ3-CG 4.06Å; W163-M170 HydrophobicContact CZ3-SD 4.24Å; M170-A172 PolarHBondContact O-N 3.5Å
171N40.7Very low54.5Low87 Ų8794.9 Ų94.947%0.46549%0.494SS..  trans-54.5115.9168.5-86.3-12.5000104E169 T173 T174E169-N171 PolarHBondContact O-N 3.01Å; N171-T173 PolarHBondContact O-N 3.14Å; N171-T174 HydrophobicContact CB-CG2 3.93Å; N171-T174 PolarHBondContact O-N 2.9Å; N171-T174 PolarHBondContact O-OG1 2.83Å
172A39.9Very low51.7Low47 Ų4798 Ų9839%0.38851%0.51SS..THydrogen-bonded Turntrans-54.9-12.4-17900000111.3M170 R190M170-A172 PolarHBondContact O-N 3.5Å; A172-R190 VanDerWaalsContact C-NH1 3.26Å; A172-R190 HydrophobicContact CB-CB 4.49Å; A172-R190 HydrophobicContact CB-CG 4.32Å; A172-R190 VanDerWaalsContact O-CD 3.29Å; A172-R190 WeakPolarHBondContact O-CD 2.98Å; A172-R190 PolarHBondContact O-NE 3.35Å; A172-R190 PolarHBondContact O-NH1 3.1Å
173T34.6Very low49.3Very low99 Ų99104 Ų10461%0.60753%0.534SS*.THydrogen-bonded Turntrans-101.40.8176.956.50000115.4N171 R175N171-T173 PolarHBondContact O-N 3.14Å; T173-R175 WeakPolarHBondContact O-CG 3.42Å; T173-R175 PolarHBondContact O-N 2.93Å
174T37.2Very low46.9Very low62 Ų62110 Ų11038%0.3857%0.57SS.*  trans-72.670.2168.152.10000109.7K159 N171 D176K159-T174 PolarHBondContact NZ-O 2.71Å; N171-T174 HydrophobicContact CB-CG2 3.93Å; N171-T174 PolarHBondContact O-N 2.9Å; N171-T174 PolarHBondContact O-OG1 2.83Å; T174-D176 PolarHBondContact O-N 2.97Å
175R34.8Very low44.6Very low210 Ų210109.3 Ų109.379%0.79257%0.57SS**  trans-37.9108.3171.2-68.9168.8-178.5-179.3-0.5108.2T173 P177T173-R175 WeakPolarHBondContact O-CG 3.42Å; T173-R175 PolarHBondContact O-N 2.93Å; R175-P177 WeakPolarHBondContact O-CD 3.46Å
176D38.1Very low42Very low37 Ų37108.7 Ų108.720%0.19858%0.577CS.*  trans-65.1120.6154.2176.5-23.8000105.2T174 H178 F179T174-D176 PolarHBondContact O-N 2.97Å; D176-H178 PolarHBondContact O-N 2.93Å; D176-H178 WeakPolarHBondContact OD1-CB 3.46Å; D176-H178 IonicContact OD1-CD2 3.51Å; D176-H178 IonicContact OD1-CG 3.74Å; D176-H178 PolarHBondContact OD1-N 2.91Å; D176-F179 HydrophobicContact CB-CB 4.35Å; D176-F179 HydrophobicContact CB-CD2 3.34Å; D176-F179 HydrophobicContact CB-CE2 3.88Å; D176-F179 HydrophobicContact CB-CG 4.15Å; D176-F179 WeakPolarHBondContact O-CB 3.44Å; D176-F179 PolarHBondContact O-N 2.77Å; D176-F179 WeakPolarHBondContact OD2-CD2 3.08Å; D176-F179 WeakPolarHBondContact OD2-CE2 3.5Å
177P35.7Very low39.7Very low104 Ų104111.2 Ų111.268%0.67559%0.585SS**THydrogen-bonded Turntrans-60.1-9.6-177.221.6-30.6000113.3R175R175-P177 WeakPolarHBondContact O-CD 3.46Å
178H37.7Very low38Very low97 Ų97116.6 Ų116.645%0.44960%0.598SS.*THydrogen-bonded Turntrans-90.80.8171.7-59.8-57.6000115.1D176D176-H178 PolarHBondContact O-N 2.93Å; D176-H178 WeakPolarHBondContact OD1-CB 3.46Å; D176-H178 IonicContact OD1-CD2 3.51Å; D176-H178 IonicContact OD1-CG 3.74Å; D176-H178 PolarHBondContact OD1-N 2.91Å
179F43Very low36.7Very low84 Ų84120.5 Ų120.537%0.36861%0.611SS.*  trans-107.922.6-177.3-79.8-102.7000114.1Y12 D176 V193Y12-F179 AromaticContact CD1-CE1 3.86Å; Y12-F179 HydrophobicContact CD1-CE1 3.86Å; Y12-F179 HydrophobicContact CD1-CZ 4.1Å; Y12-F179 HydrophobicContact CE1-CD1 4.08Å; Y12-F179 AromaticContact CE1-CE1 3.29Å; Y12-F179 HydrophobicContact CE1-CE1 3.29Å; Y12-F179 AromaticContact CE1-CZ 3.82Å; Y12-F179 HydrophobicContact CE1-CZ 3.82Å; D176-F179 HydrophobicContact CB-CB 4.35Å; D176-F179 HydrophobicContact CB-CD2 3.34Å; D176-F179 HydrophobicContact CB-CE2 3.88Å; D176-F179 HydrophobicContact CB-CG 4.15Å; D176-F179 WeakPolarHBondContact O-CB 3.44Å; D176-F179 PolarHBondContact O-N 2.77Å; D176-F179 WeakPolarHBondContact OD2-CD2 3.08Å; D176-F179 WeakPolarHBondContact OD2-CE2 3.5Å; F179-V193 HydrophobicContact CE1-CB 4.48Å; F179-V193 HydrophobicContact CE1-CG1 3.92Å; F179-V193 HydrophobicContact CE1-CG2 4.38Å; F179-V193 HydrophobicContact CZ-CB 4.49Å; F179-V193 HydrophobicContact CZ-CG1 3.91Å
180N28.9Very low36.2Very low105 Ų105120 Ų12056%0.56160%0.603SS**  trans-69.3134.9164.7-74.8-19.6000108.9
181H32.7Very low35.7Very low163 Ų163116.9 Ų116.976%0.75559%0.591SS**SBendtrans109.3100.4168.3-53.1-64.7000116.8
182H31.7Very low35.8Very low150 Ų150120.9 Ų120.969%0.69460%0.6SS**  trans77.6137.3164.4-58.7-88.6000116.7
183E38.6Very low36.1Very low161 Ų161121 Ų12175%0.75260%0.595SS**  cis-160.2164.28.5-119.6158.7-148.500107V185E183-V185 PolarHBondContact O-N 2.7Å
184N35.4Very low36.7Very low173 Ų173119.4 Ų119.493%0.92558%0.581SS**  trans-53.499.2-176.7-69.1-37.7000113.1
185V36.5Very low37.5Very low89 Ų89118.9 Ų118.954%0.53957%0.572SS.*  trans-115.7130.8168.2-176.70000108.5E183E183-V185 PolarHBondContact O-N 2.7Å
186P29.5Very low38.6Very low104 Ų104109.8 Ų109.868%0.67554%0.538SS*.  trans-52.7144-177.3-27.433.9000114.5L188 K189P186-L188 PolarHBondContact O-N 3.23Å; P186-K189 PolarHBondContact O-N 2.98Å
187E33.8Very low40.4Very low165 Ų165108.1 Ų108.177%0.77153%0.529SS*.G310 helixtrans-50.1-29.8-170-109.3168.4167.400115.8K189E187-K189 PolarHBondContact O-N 3.27Å
188L32.7Very low43.2Very low175 Ų175103.4 Ų103.492%0.91650%0.498SS*.G310 helixtrans-85.9-1.2-174-143.474.5000114.7P186P186-L188 PolarHBondContact O-N 3.23Å
189K31.7Very low46Very low168 Ų16898.8 Ų98.873%0.7348%0.477SS*.G310 helixtrans-131.537.5-178.2-69.4-170.8-179.6-178.50113.8P186 E187 S191P186-K189 PolarHBondContact O-N 2.98Å; E187-K189 PolarHBondContact O-N 3.27Å; K189-S191 PolarHBondContact O-N 3.24Å
190R39.4Very low48.7Very low141 Ų14194.8 Ų94.853%0.53246%0.459SS..  trans-70.675.6159.6-69-155.5-179.3107.42.1108.3A172 R192A172-R190 VanDerWaalsContact C-NH1 3.26Å; A172-R190 HydrophobicContact CB-CB 4.49Å; A172-R190 HydrophobicContact CB-CG 4.32Å; A172-R190 VanDerWaalsContact O-CD 3.29Å; A172-R190 WeakPolarHBondContact O-CD 2.98Å; A172-R190 PolarHBondContact O-NE 3.35Å; A172-R190 PolarHBondContact O-NH1 3.1Å; R190-R192 PolarHBondContact O-N 2.98Å
191S36.6Very low52Low33 Ų3389.8 Ų89.823%0.23143%0.433CS..  trans-43133.9176.560.30000109.6K189 V193 R331K189-S191 PolarHBondContact O-N 3.24Å; S191-V193 WeakPolarHBondContact O-CG2 3.43Å; S191-V193 PolarHBondContact O-N 2.98Å; S191-R331 PolarHBondContact OG-NH2 3.08Å
192R44.5Very low55.2Low172 Ų17282 Ų8265%0.64940%0.397SS*.  trans-38.6101.4163.4-63.7171.5177.4179.6-2.1108.2R190 H194R190-R192 PolarHBondContact O-N 2.98Å; R192-H194 WeakPolarHBondContact CB-NE2 3.21Å; R192-H194 PolarHBondContact O-CD2 2.8Å; R192-H194 PolarHBondContact O-N 2.76Å
193V44.4Very low58.4Low49 Ų4974.9 Ų74.930%0.29736%0.364SS..  trans-76.384.2-178.6-176.80000106.1Y12 F179 S191 R195Y12-V193 HydrophobicContact CD1-CG1 3.74Å; Y12-V193 HydrophobicContact CG-CG1 3.96Å; F179-V193 HydrophobicContact CE1-CB 4.48Å; F179-V193 HydrophobicContact CE1-CG1 3.92Å; F179-V193 HydrophobicContact CE1-CG2 4.38Å; F179-V193 HydrophobicContact CZ-CB 4.49Å; F179-V193 HydrophobicContact CZ-CG1 3.91Å; S191-V193 WeakPolarHBondContact O-CG2 3.43Å; S191-V193 PolarHBondContact O-N 2.98Å; V193-R195 PolarHBondContact O-N 3Å
194H48.3Very low61.2Low65 Ų6567.2 Ų67.230%0.30133%0.328SS..  trans-70.9113.9177.5-68.2-77000108.5R192 F196R192-H194 WeakPolarHBondContact CB-NE2 3.21Å; R192-H194 PolarHBondContact O-CD2 2.8Å; R192-H194 PolarHBondContact O-N 2.76Å; H194-F196 VanDerWaalsContact C-N 3.26Å; H194-F196 HydrophobicContact CB-CD1 3.82Å; H194-F196 HydrophobicContact CB-CD2 3.47Å; H194-F196 VanDerWaalsContact CB-CD2 3.47Å; H194-F196 HydrophobicContact CB-CE1 3.47Å; H194-F196 VanDerWaalsContact CB-CE1 3.47Å; H194-F196 HydrophobicContact CB-CE2 3.11Å; H194-F196 HydrophobicContact CB-CG 3.82Å; H194-F196 HydrophobicContact CB-CZ 3.11Å; H194-F196 AromaticContact CD2-CE2 3.93Å; H194-F196 AromaticContact CD2-CZ 3.5Å; H194-F196 AromaticContact CG-CE1 3.67Å; H194-F196 AromaticContact CG-CE2 3.68Å; H194-F196 AromaticContact CG-CZ 3.21Å; H194-F196 AromaticContact ND1-CE1 3.88Å; H194-F196 AromaticContact ND1-CZ 3.81Å; H194-F196 PolarHBondContact O-N 3.01Å; H194-F196 VanDerWaalsContact O-N 3.07Å
195R53.9Low64.1Low51 Ų5159.4 Ų59.419%0.19229%0.286CS..  trans-73.486.4160.3-73.1-155.6-59-119.9-0.2107.9H152 S156 V193 D197H152-R195 PolarHBondContact CE1-NH1 2.93Å; H152-R195 PolarHBondContact NE2-NH1 2.72Å; H152-R195 VanDerWaalsContact NE2-NH1 3.13Å; H152-R195 PolarHBondContact NE2-NH2 2.87Å; S156-R195 PolarHBondContact OG-NH2 3.45Å; V193-R195 PolarHBondContact O-N 3Å; R195-D197 PolarHBondContact O-N 3.32Å
196F57.7Low66.8Low20 Ų2058.8 Ų58.89%0.08828%0.279CS..  trans-88.574.9175.3-62.8-60.9000109.1A10 H194 S253 F304A10-F196 PolarHBondContact N-O 2.95Å; A10-F196 VanDerWaalsContact O-CB 3.28Å; A10-F196 WeakPolarHBondContact O-CB 3.3Å; H194-F196 VanDerWaalsContact C-N 3.26Å; H194-F196 HydrophobicContact CB-CD1 3.82Å; H194-F196 HydrophobicContact CB-CD2 3.47Å; H194-F196 VanDerWaalsContact CB-CD2 3.47Å; H194-F196 HydrophobicContact CB-CE1 3.47Å; H194-F196 VanDerWaalsContact CB-CE1 3.47Å; H194-F196 HydrophobicContact CB-CE2 3.11Å; H194-F196 HydrophobicContact CB-CG 3.82Å; H194-F196 HydrophobicContact CB-CZ 3.11Å; H194-F196 AromaticContact CD2-CE2 3.93Å; H194-F196 AromaticContact CD2-CZ 3.5Å; H194-F196 AromaticContact CG-CE1 3.67Å; H194-F196 AromaticContact CG-CE2 3.68Å; H194-F196 AromaticContact CG-CZ 3.21Å; H194-F196 AromaticContact ND1-CE1 3.88Å; H194-F196 AromaticContact ND1-CZ 3.81Å; H194-F196 PolarHBondContact O-N 3.01Å; H194-F196 VanDerWaalsContact O-N 3.07Å; F196-S253 PolarHBondContact O-OG 3.3Å; F196-F304 HydrophobicContact CD2-CB 4.37Å; F196-F304 HydrophobicContact CD2-CD2 4.47Å; F196-F304 HydrophobicContact CD2-CG 4.44Å; F196-F304 HydrophobicContact CE2-CB 4Å; F196-F304 AromaticContact CE2-CD2 3.4Å; F196-F304 HydrophobicContact CE2-CD2 3.4Å; F196-F304 AromaticContact CE2-CE2 3.95Å; F196-F304 HydrophobicContact CE2-CE2 3.95Å; F196-F304 AromaticContact CE2-CG 3.73Å; F196-F304 HydrophobicContact CE2-CG 3.73Å; F196-F304 AromaticContact CZ-CD2 3.72Å; F196-F304 HydrophobicContact CZ-CD2 3.72Å; F196-F304 HydrophobicContact CZ-CE2 4.26Å; F196-F304 HydrophobicContact CZ-CG 4.42Å
197D75Confident69.8Low2 Ų261.3 Ų61.31%0.01128%0.282CS..  trans-109.370.6-168.9-45.5-26.7000111.2N61 R195N61-D197 CarbonylContact C-O 3.54Å; N61-D197 HydrophobicContact CB-CB 3.78Å; N61-D197 WeakPolarHBondContact CB-O 3.07Å; R195-D197 PolarHBondContact O-N 3.32Å
198T94.3Very high72.6Confident4 Ų454.2 Ų54.23%0.02525%0.253CS..  trans-75.4136.3160.7-60.60000109H7 G9 S214 S215 S216 Q229 S253H7-T198 PolarHBondContact CE1-O 2.84Å; H7-T198 PolarHBondContact ND1-O 2.81Å; G9-T198 VanDerWaalsContact CA-O 3.23Å; G9-T198 WeakPolarHBondContact CA-O 3.44Å; G9-T198 PolarHBondContact N-O 2.65Å; G9-T198 VanDerWaalsContact N-O 3.16Å; T198-S214 WeakPolarHBondContact CG2-OG 3.23Å; T198-S215 WeakPolarHBondContact CG2-O 3.47Å; T198-S216 PolarHBondContact OG1-OG 2.87Å; T198-Q229 PolarHBondContact OG1-NE2 3.11Å; T198-S253 PolarHBondContact O-OG 2.88Å
199V98.3Very high75.6Confident0 Ų049.3 Ų49.30%022%0.224CC..EExtended strand (participates in β ladder)trans-99.5154.5172.4-56.20000109.8H7 V51 L54 T60 A62 S214 S215H7-V199 WeakPolarHBondContact O-CA 3.48Å; V51-V199 HydrophobicContact CG1-CG2 4.06Å; L54-V199 HydrophobicContact CB-CB 3.93Å; L54-V199 HydrophobicContact CB-CG1 3.96Å; L54-V199 HydrophobicContact CB-CG2 4.06Å; L54-V199 HydrophobicContact CD1-CB 3.91Å; L54-V199 HydrophobicContact CD1-CG1 4.48Å; T60-V199 HydrophobicContact CG2-CG1 3.8Å; A62-V199 HydrophobicContact CB-CG1 4.19Å; A62-V199 HydrophobicContact CB-CG2 3.61Å; V199-S214 WeakPolarHBondContact O-CA 3.16Å; V199-S214 PolarHBondContact O-OG 2.84Å; V199-S215 WeakPolarHBondContact CG2-O 3.37Å; V199-S215 PolarHBondContact N-O 3.24Å; V199-S215 PolarHBondContact O-N 3Å
200G98.7Very high78.7Confident0 Ų041.4 Ų41.40%019%0.19CC..EExtended strand (participates in β ladder)trans-167.5160.5177.500000113V6 H7 A213V6-G200 CarbonylContact C-O 3.6Å; V6-G200 VanDerWaalsContact CA-O 3.29Å; V6-G200 WeakPolarHBondContact CA-O 3.37Å; H7-G200 PolarHBondContact CE1-N 2.87Å; H7-G200 PolarHBondContact N-O 2.79Å; H7-G200 WeakPolarHBondContact NE2-CA 3.21Å; H7-G200 PolarHBondContact NE2-N 2.85Å; H7-G200 PolarHBondContact O-N 3.07Å; G200-A213 CarbonylContact C-O 3.57Å; G200-A213 WeakPolarHBondContact CA-O 3.38Å
201A98.9Very high81.6Confident0 Ų034.7 Ų34.70%016%0.164CC..EExtended strand (participates in β ladder)trans-143.2149179.100000111.8V5 V6 V47 A50 V51 A212 A213 V251V5-A201 CarbonylContact O-C 3.54Å; V5-A201 WeakPolarHBondContact O-CA 3.24Å; V6-A201 HydrophobicContact CG1-CB 4.02Å; V47-A201 HydrophobicContact CB-CB 4.37Å; V47-A201 HydrophobicContact CG1-CB 4.29Å; A50-A201 HydrophobicContact CB-CB 3.78Å; V51-A201 HydrophobicContact CG2-CB 3.86Å; A201-A212 CarbonylContact O-C 3.55Å; A201-A212 VanDerWaalsContact O-CA 3.31Å; A201-A212 WeakPolarHBondContact O-CA 3.48Å; A201-A213 PolarHBondContact N-O 3.5Å; A201-A213 PolarHBondContact O-N 2.84Å; A201-V251 WeakPolarHBondContact O-CG1 3.41Å
202V99Very high84.5Confident0 Ų033.1 Ų33.10%015%0.153CC..EExtended strand (participates in β ladder)trans-126.7132.2166.8-175.70000107.4V5 I210 A211 A212 V251 V310V5-V202 HydrophobicContact CB-CB 4.38Å; V5-V202 PolarHBondContact N-O 2.91Å; V5-V202 PolarHBondContact O-N 2.86Å; V202-I210 HydrophobicContact CG1-CD1 3.99Å; V202-I210 HydrophobicContact CG1-CG1 4.06Å; V202-A211 WeakPolarHBondContact CA-O 3.32Å; V202-A212 HydrophobicContact CG2-CB 4.02Å; V202-V251 HydrophobicContact CG2-CB 4.45Å; V202-V251 HydrophobicContact CG2-CG1 3.81Å; V202-V251 HydrophobicContact CG2-CG2 4.03Å; V202-V310 HydrophobicContact CB-CG1 4.3Å; V202-V310 HydrophobicContact CG1-CG1 3.56Å
203C98.9Very high87.1Confident0 Ų024.9 Ų24.90%012%0.123CC..EExtended strand (participates in β ladder)trans-130.5143.6177.4-66.60000111.1C3 L36 A43 A46 V47 I210 A211C3-C203 CarbonylContact O-C 3.52Å; C3-C203 VanDerWaalsContact O-CA 3.23Å; C3-C203 WeakPolarHBondContact O-CA 3.35Å; L36-C203 HydrophobicContact CD1-CB 4.07Å; A43-C203 HydrophobicContact CB-CB 4.48Å; A43-C203 WeakPolarHBondContact CB-O 3.45Å; A46-C203 HydrophobicContact CB-CB 3.93Å; V47-C203 HydrophobicContact CG1-CB 3.65Å; C203-I210 WeakPolarHBondContact O-CA 3.4Å; C203-I210 WeakPolarHBondContact O-CG1 3.32Å; C203-A211 PolarHBondContact N-O 3.36Å; C203-A211 PolarHBondContact O-N 2.91Å
204I97.9Very high89.7Confident0 Ų022.6 Ų22.60%011%0.108CC..EExtended strand (participates in β ladder)trans-115.3131.2167.2-57.5176.4000107.1A2 C3 K209 I210 V310 A312A2-I204 CarbonylContact C-O 3.6Å; A2-I204 VanDerWaalsContact CA-O 3.25Å; A2-I204 WeakPolarHBondContact CA-O 3.45Å; C3-I204 HydrophobicContact CB-CB 4.16Å; C3-I204 HydrophobicContact CB-CD1 4.47Å; C3-I204 HydrophobicContact CB-CG1 4.49Å; C3-I204 PolarHBondContact N-O 2.86Å; C3-I204 PolarHBondContact O-N 2.9Å; I204-K209 CarbonylContact C-O 3.6Å; I204-K209 VanDerWaalsContact CA-O 3.25Å; I204-K209 WeakPolarHBondContact CA-O 3.42Å; I204-I210 HydrophobicContact CD1-CD1 4.16Å; I204-I210 HydrophobicContact CG1-CB 4.32Å; I204-I210 HydrophobicContact CG1-CD1 3.8Å; I204-I210 HydrophobicContact CG1-CG1 3.97Å; I204-V310 HydrophobicContact CD1-CB 4.46Å; I204-V310 HydrophobicContact CD1-CG1 3.8Å; I204-V310 HydrophobicContact CD1-CG2 3.78Å; I204-V310 HydrophobicContact CG1-CG1 4.02Å; I204-A312 HydrophobicContact CD1-CB 3.59Å
205D96.9Very high92.1Very high9 Ų919.5 Ų19.55%0.0489%0.094CC..  trans-90.6179.8177.766.328.4000114.1M1 L36 A43 E207 G208 K209M1-D205 CarbonylContact C-O 3.53Å; M1-D205 PolarHBondContact N-O 2.73Å; M1-D205 VanDerWaalsContact N-O 3.11Å; M1-D205 CarbonylContact O-C 3.49Å; L36-D205 HydrophobicContact CD2-CB 3.67Å; A43-D205 HydrophobicContact CB-CB 4.26Å; A43-D205 PolarHBondContact N-OD2 3.19Å; D205-E207 PolarHBondContact O-N 3.08Å; D205-E207 WeakPolarHBondContact OD1-CA 3.26Å; D205-E207 WeakPolarHBondContact OD1-CB 3.43Å; D205-E207 PolarHBondContact OD1-N 2.89Å; D205-G208 PolarHBondContact O-N 2.83Å; D205-G208 PolarHBondContact OD1-N 2.98Å; D205-G208 VanDerWaalsContact OD1-N 3.17Å; D205-K209 PolarHBondContact N-O 2.91Å; D205-K209 PolarHBondContact OD1-N 3.4Å; D205-K209 WeakPolarHBondContact OD2-CB 3.41Å
206I93.4Very high94.2Very high77 Ų7717.2 Ų17.240%0.3959%0.086SC..THydrogen-bonded Turntrans-62.3-24.7-176.556.7154.4000112.8M1 A2 L36 H40 G208M1-I206 PolarHBondContact N-O 2.88Å; A2-I206 HydrophobicContact CB-CG2 4.5Å; L36-I206 WeakPolarHBondContact O-CG2 3.46Å; H40-I206 HydrophobicContact CB-CD1 4.36Å; H40-I206 VanDerWaalsContact ND1-CD1 3.29Å; H40-I206 WeakPolarHBondContact ND1-CD1 3.44Å; I206-G208 VanDerWaalsContact C-N 3.34Å
207E91.5Very high96Very high156 Ų15616.3 Ų16.373%0.7298%0.082SC*.THydrogen-bonded Turntrans-85.7-5.5177.2-59.7-177.5-177.900113D205 K209D205-E207 PolarHBondContact O-N 3.08Å; D205-E207 WeakPolarHBondContact OD1-CA 3.26Å; D205-E207 WeakPolarHBondContact OD1-CB 3.43Å; D205-E207 PolarHBondContact OD1-N 2.89Å; E207-K209 VanDerWaalsContact C-N 3.35Å; E207-K209 HydrophobicContact CB-CG 4.22Å
208G92Very high96.9Very high16 Ų1616.5 Ų16.517%0.1658%0.084CC..SBendtrans86.64.8-178.600000113.9D205 I206D205-G208 PolarHBondContact O-N 2.83Å; D205-G208 PolarHBondContact OD1-N 2.98Å; D205-G208 VanDerWaalsContact OD1-N 3.17Å; I206-G208 VanDerWaalsContact C-N 3.34Å
209K95.7Very high96.9Very high73 Ų7319.7 Ų19.732%0.31710%0.101SC..  trans-72.7146.9174.7-53.6-64.1177.9-179.60109.7A43 I204 D205 E207 E241A43-K209 WeakPolarHBondContact CB-O 3.25Å; I204-K209 CarbonylContact C-O 3.6Å; I204-K209 VanDerWaalsContact CA-O 3.25Å; I204-K209 WeakPolarHBondContact CA-O 3.42Å; D205-K209 PolarHBondContact N-O 2.91Å; D205-K209 PolarHBondContact OD1-N 3.4Å; D205-K209 WeakPolarHBondContact OD2-CB 3.41Å; E207-K209 VanDerWaalsContact C-N 3.35Å; E207-K209 HydrophobicContact CB-CG 4.22Å; K209-E241 WeakPolarHBondContact CD-OE1 3.17Å; K209-E241 VanDerWaalsContact NZ-CD 3.35Å; K209-E241 IonicContact NZ-OE1 3.16Å; K209-E241 PolarHBondContact NZ-OE1 3.09Å; K209-E241 VanDerWaalsContact NZ-OE1 3.16Å; K209-E241 IonicContact NZ-OE2 2.72Å; K209-E241 PolarHBondContact NZ-OE2 3.35Å
210I98.4Very high96.6Very high1 Ų121 Ų211%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-124.9146.6-172.3-167.4161000111.8G83 V202 C203 I204 A239 E241 V310G83-I210 WeakPolarHBondContact CA-O 3.41Å; G83-I210 PolarHBondContact N-O 3.07Å; V202-I210 HydrophobicContact CG1-CD1 3.99Å; V202-I210 HydrophobicContact CG1-CG1 4.06Å; C203-I210 WeakPolarHBondContact O-CA 3.4Å; C203-I210 WeakPolarHBondContact O-CG1 3.32Å; I204-I210 HydrophobicContact CD1-CD1 4.16Å; I204-I210 HydrophobicContact CG1-CB 4.32Å; I204-I210 HydrophobicContact CG1-CD1 3.8Å; I204-I210 HydrophobicContact CG1-CG1 3.97Å; I210-A239 HydrophobicContact CG1-CB 4.49Å; I210-A239 HydrophobicContact CG2-CB 4.26Å; I210-E241 HydrophobicContact CG2-CG 4.38Å; I210-V310 HydrophobicContact CD1-CG1 4.22Å
211A98.9Very high96.3Very high0 Ų022 Ų220%012%0.116CC..EExtended strand (participates in β ladder)trans-143.8157.7171.300000110.4A43 I44 V47 M81 V202 C203A43-A211 HydrophobicContact CB-CB 3.87Å; I44-A211 HydrophobicContact CB-CB 4.41Å; I44-A211 HydrophobicContact CG1-CB 3.97Å; V47-A211 HydrophobicContact CG1-CB 4.19Å; V47-A211 WeakPolarHBondContact CG1-O 3.49Å; V47-A211 HydrophobicContact CG2-CB 3.78Å; M81-A211 VanDerWaalsContact O-CA 3.3Å; M81-A211 WeakPolarHBondContact O-CA 3.27Å; M81-A211 WeakPolarHBondContact O-CB 3.49Å; V202-A211 WeakPolarHBondContact CA-O 3.32Å; C203-A211 PolarHBondContact N-O 3.36Å; C203-A211 PolarHBondContact O-N 2.91Å
212A99Very high96.1Very high0 Ų022.2 Ų22.20%012%0.117CC..EExtended strand (participates in β ladder)trans-139.6143.417600000110.4I80 M81 A201 V202 C237 W238 A239 V251I80-A212 CarbonylContact C-O 3.53Å; I80-A212 WeakPolarHBondContact CA-O 3.1Å; M81-A212 PolarHBondContact N-O 3.38Å; M81-A212 PolarHBondContact O-N 2.89Å; M81-A212 VanDerWaalsContact O-N 3.08Å; A201-A212 CarbonylContact O-C 3.55Å; A201-A212 VanDerWaalsContact O-CA 3.31Å; A201-A212 WeakPolarHBondContact O-CA 3.48Å; V202-A212 HydrophobicContact CG2-CB 4.02Å; A212-C237 HydrophobicContact CB-CB 3.86Å; A212-W238 VanDerWaalsContact CB-O 3.23Å; A212-W238 WeakPolarHBondContact CB-O 3.21Å; A212-A239 HydrophobicContact CB-CB 3.92Å; A212-V251 HydrophobicContact CB-CG1 4.1Å
213A98.9Very high95.9Very high0 Ų030.6 Ų30.60%015%0.15CC..EExtended strand (participates in β ladder)trans-143.5150.5177.900000111.9V47 V51 G79 I80 V101 G200 A201 V251V47-A213 HydrophobicContact CB-CB 3.97Å; V47-A213 HydrophobicContact CG2-CB 3.95Å; V51-A213 HydrophobicContact CG2-CB 3.9Å; G79-A213 CarbonylContact O-C 3.56Å; G79-A213 VanDerWaalsContact O-CA 3.23Å; G79-A213 WeakPolarHBondContact O-CA 3.45Å; I80-A213 HydrophobicContact CB-CB 4.06Å; I80-A213 HydrophobicContact CD1-CB 4.26Å; I80-A213 HydrophobicContact CG1-CB 3.97Å; V101-A213 HydrophobicContact CG2-CB 3.91Å; G200-A213 CarbonylContact C-O 3.57Å; G200-A213 WeakPolarHBondContact CA-O 3.38Å; A201-A213 PolarHBondContact N-O 3.5Å; A201-A213 PolarHBondContact O-N 2.84Å; A213-V251 WeakPolarHBondContact O-CG1 3.25Å
214S98.8Very high95.8Very high0 Ų032.7 Ų32.70%016%0.16CC..EExtended strand (participates in β ladder)trans-141.3148.4178.9-171.10000111.2A78 G79 T198 V199A78-S214 CarbonylContact C-O 3.18Å; A78-S214 WeakPolarHBondContact CA-O 3.31Å; A78-S214 WeakPolarHBondContact CB-O 3.41Å; G79-S214 PolarHBondContact N-O 3.18Å; G79-S214 PolarHBondContact O-N 3.01Å; T198-S214 WeakPolarHBondContact CG2-OG 3.23Å; V199-S214 WeakPolarHBondContact O-CA 3.16Å; V199-S214 PolarHBondContact O-OG 2.84Å
215S98.5Very high95.8Very high0 Ų035 Ų350%018%0.183CC..EExtended strand (participates in β ladder)trans-146.3144.4177.2-174.80000112E55 D77 T198 V199E55-S215 WeakPolarHBondContact OE1-CB 3.37Å; E55-S215 PolarHBondContact OE1-OG 3.01Å; D77-S215 CarbonylContact O-C 3.54Å; D77-S215 WeakPolarHBondContact O-CA 3.43Å; T198-S215 WeakPolarHBondContact CG2-O 3.47Å; V199-S215 WeakPolarHBondContact CG2-O 3.37Å; V199-S215 PolarHBondContact N-O 3.24Å; V199-S215 PolarHBondContact O-N 3Å
216S97.4Very high95.8Very high4 Ų436.2 Ų36.23%0.02819%0.187CC..EExtended strand (participates in β ladder)trans-155.7138.2-173.8-169.60000112.6N61 C76 D77 T198 G218N61-S216 CarbonylContact O-C 3.42Å; C76-S216 WeakPolarHBondContact CA-O 3.13Å; D77-S216 PolarHBondContact N-O 3.42Å; D77-S216 PolarHBondContact O-N 3.48Å; T198-S216 PolarHBondContact OG1-OG 2.87Å; S216-G218 VanDerWaalsContact C-N 3.31Å; S216-G218 PolarHBondContact OG-N 2.84Å; S216-G218 VanDerWaalsContact OG-N 3.1Å
217G95.9Very high95.9Very high0 Ų035.6 Ų35.60%019%0.185CC..  trans-81.4-9.8165.100000113.2N61 K222N61-G217 PolarHBondContact O-N 3.04Å; G217-K222 WeakPolarHBondContact O-CE 3.15Å; G217-K222 PolarHBondContact O-NZ 3.09Å
218G94.5Very high96.1Very high6 Ų628.2 Ų28.26%0.06215%0.15CC..  trans77-158.8-177.500000113.6N61 N67 S216N61-G218 PolarHBondContact ND2-O 3.32Å; N67-G218 PolarHBondContact ND2-O 3.47Å; S216-G218 VanDerWaalsContact C-N 3.31Å; S216-G218 PolarHBondContact OG-N 2.84Å; S216-G218 VanDerWaalsContact OG-N 3.1Å
219I93Very high96.4Very high71 Ų7127.5 Ų27.536%0.36414%0.143SC..SBendtrans-88.6151.8-176.162.6177.2000112K222I219-K222 HydrophobicContact CG1-CB 3.9Å; I219-K222 WeakPolarHBondContact O-CB 3.42Å; I219-K222 PolarHBondContact O-N 3.12Å
220A92.1Very high96.5Very high27 Ų2724 Ų2422%0.22313%0.128CC..THydrogen-bonded Turntrans-58.5139.717400000111.4N67 Y160 K222N67-A220 HydrophobicContact CB-CB 4.42Å; Y160-A220 HydrophobicContact CD2-CB 3.64Å; Y160-A220 HydrophobicContact CE2-CB 3.73Å; Y160-A220 HydrophobicContact CG-CB 4.11Å; A220-K222 PolarHBondContact O-N 3.14Å
221M92.8Very high96.5Very high22 Ų2224.1 Ų24.111%0.10813%0.128CC..THydrogen-bonded Turntrans60.622.2-178.7-55.7-62.8-6500114.2L68 I70 W157 Y160 K161 L164 F165L68-M221 PolarHBondContact O-N 3.28Å; I70-M221 HydrophobicContact CG1-CE 4.05Å; W157-M221 HydrophobicContact CG-SD 4.09Å; W157-M221 PolarHBondContact NE1-SD 3.09Å; W157-M221 VanDerWaalsContact NE1-SD 3.39Å; Y160-M221 VanDerWaalsContact CB-CG 3.47Å; Y160-M221 HydrophobicContact CG-CG 4.4Å; K161-M221 HydrophobicContact CB-CE 3.91Å; K161-M221 HydrophobicContact CB-SD 4.2Å; K161-M221 HydrophobicContact CG-CE 4.14Å; L164-M221 HydrophobicContact CD2-CE 4.13Å; F165-M221 HydrophobicContact CE2-CE 4.06Å
222K94.5Very high96.4Very high5 Ų526 Ų262%0.02214%0.14CC..PPolyproline II helixtrans-56.8149.4173.470.2-180-169.5-175.30110.9S69 I70 E75 G217 I219 A220 R226S69-K222 CarbonylContact C-O 3.53Å; S69-K222 WeakPolarHBondContact CA-O 3.39Å; I70-K222 PolarHBondContact N-O 3.47Å; E75-K222 PolarHBondContact O-NZ 2.96Å; E75-K222 IonicContact OE1-NZ 3.55Å; G217-K222 WeakPolarHBondContact O-CE 3.15Å; G217-K222 PolarHBondContact O-NZ 3.09Å; I219-K222 HydrophobicContact CG1-CB 3.9Å; I219-K222 WeakPolarHBondContact O-CB 3.42Å; I219-K222 PolarHBondContact O-N 3.12Å; A220-K222 PolarHBondContact O-N 3.14Å; K222-R226 HydrophobicContact CB-CB 4.38Å; K222-R226 HydrophobicContact CD-CB 4.42Å
223Y96.1Very high96.4Very high175 Ų17531.2 Ų31.269%0.68616%0.16SC*.PPolyproline II helixtrans-62.6140.1161.9-68.8-74.9000109.6I70 R226I70-Y223 HydrophobicContact CD1-CE1 4.15Å; I70-Y223 HydrophobicContact CG2-CD1 4.42Å; Y223-R226 WeakPolarHBondContact O-CB 3.39Å; Y223-R226 PolarHBondContact O-N 3.23Å
224E96.5Very high96.4Very high44 Ų4431.2 Ų31.221%0.20616%0.16CC..THydrogen-bonded Turntrans-63142.3169.1-62.493.8165.600110.5S69 I70 N71 E75 R95 R226S69-E224 VanDerWaalsContact CB-OE1 3.25Å; S69-E224 WeakPolarHBondContact CB-OE1 3.5Å; S69-E224 PolarHBondContact OG-OE1 3.36Å; I70-E224 WeakPolarHBondContact CG2-OE2 3.39Å; N71-E224 WeakPolarHBondContact CB-OE1 3.4Å; N71-E224 PolarHBondContact N-OE1 2.79Å; N71-E224 PolarHBondContact ND2-OE1 3.37Å; N71-E224 PolarHBondContact ND2-OE2 3.47Å; E75-E224 WeakPolarHBondContact OE1-CA 3.23Å; E75-E224 VanDerWaalsContact OE2-CB 3.31Å; E75-E224 WeakPolarHBondContact OE2-CB 3.31Å; R95-E224 VanDerWaalsContact NH2-CG 3.33Å; E224-R226 VanDerWaalsContact C-N 3.3Å
225G96.8Very high96.4Very high48 Ų4831.3 Ų31.350%0.49516%0.161SC..THydrogen-bonded Turntrans87.6-6.9-171.100000113.9E75 L227E75-G225 PolarHBondContact OE1-N 3.06Å; G225-L227 PolarHBondContact O-N 3.42Å
226R96.6Very high96.4Very high35 Ų3531.3 Ų31.313%0.13216%0.161CC..  trans-66.4120.8173.1-179.1-82.4-177.3-177.70.9109.4D77 K222 Y223 E224 E257D77-R226 IonicContact OD2-NH1 3.64Å; K222-R226 HydrophobicContact CB-CB 4.38Å; K222-R226 HydrophobicContact CD-CB 4.42Å; Y223-R226 WeakPolarHBondContact O-CB 3.39Å; Y223-R226 PolarHBondContact O-N 3.23Å; E224-R226 VanDerWaalsContact C-N 3.3Å; R226-E257 IonicContact CZ-OE1 3.37Å; R226-E257 VanDerWaalsContact CZ-OE1 3.23Å; R226-E257 IonicContact NE-OE1 2.9Å; R226-E257 PolarHBondContact NE-OE1 2.88Å; R226-E257 VanDerWaalsContact NH2-CD 3.27Å; R226-E257 IonicContact NH2-OE1 3.23Å; R226-E257 PolarHBondContact NH2-OE1 2.93Å; R226-E257 IonicContact NH2-OE2 2.7Å; R226-E257 PolarHBondContact NH2-OE2 3.3Å; R226-E257 VanDerWaalsContact NH2-OE2 3.1Å
227L96.5Very high96.5Very high65 Ų6531.1 Ų31.134%0.3416%0.16SC..  trans-96133.8173.3-61.7178.2000111.8G92 A93 V128 G225G92-L227 VanDerWaalsContact C-CD2 3.47Å; A93-L227 HydrophobicContact CB-CD2 3.79Å; V128-L227 HydrophobicContact CG1-CD1 4.08Å; V128-L227 HydrophobicContact CG1-CD2 4.04Å; G225-L227 PolarHBondContact O-N 3.42Å
228G95.6Very high96.6Very high0 Ų031.8 Ų31.80%016%0.162CC..  trans-98.7-176.5171.400000114.2D77 A230 T232D77-G228 WeakPolarHBondContact OD2-CA 3.5Å; D77-G228 PolarHBondContact OD2-N 3.44Å; G228-A230 PolarHBondContact O-N 3.37Å; G228-T232 PolarHBondContact O-OG1 3.19Å
229Q97.9Very high96.8Very high2 Ų231.5 Ų31.51%0.00916%0.159CC..G310 helixtrans-64.7-28.4178.782.3-70.6-0.200112.7T198 C231 T232 C235 G236 L259 I260T198-Q229 PolarHBondContact OG1-NE2 3.11Å; Q229-C231 VanDerWaalsContact C-N 3.32Å; Q229-C231 PolarHBondContact O-N 2.93Å; Q229-T232 PolarHBondContact O-N 3.15Å; Q229-C235 HydrophobicContact CB-CB 3.91Å; Q229-G236 VanDerWaalsContact O-CA 3.27Å; Q229-G236 WeakPolarHBondContact O-CA 3.26Å; Q229-G236 PolarHBondContact O-N 3.06Å; Q229-L259 HydrophobicContact CB-CB 3.83Å; Q229-L259 HydrophobicContact CB-CD1 4.44Å; Q229-L259 HydrophobicContact CG-CB 4.01Å; Q229-L259 HydrophobicContact CG-CD1 3.7Å; Q229-I260 HydrophobicContact CB-CG1 4.05Å
230A98.1Very high97Very high0 Ų030.3 Ų30.30%015%0.152CC..G310 helixtrans-59.6-38.2-171.700000113.2D77 A78 G79 G228D77-A230 HydrophobicContact CB-CB 4.1Å; A78-A230 CarbonylContact C-O 3.54Å; G79-A230 VanDerWaalsContact CA-O 3.26Å; G79-A230 WeakPolarHBondContact CA-O 3.48Å; G79-A230 PolarHBondContact N-O 2.86Å; G79-A230 VanDerWaalsContact N-O 3.08Å; G228-A230 PolarHBondContact O-N 3.37Å
231C97.7Very high97.2Very high2 Ų231.7 Ų31.71%0.01415%0.154CC..G310 helixtrans-961.9175.975.10000113.9D77 A78 I91 Q229D77-C231 HydrophobicContact CB-CB 4.01Å; A78-C231 WeakPolarHBondContact O-CB 3.21Å; I91-C231 VanDerWaalsContact O-CB 3.27Å; I91-C231 WeakPolarHBondContact O-CB 3.44Å; Q229-C231 VanDerWaalsContact C-N 3.32Å; Q229-C231 PolarHBondContact O-N 2.93Å
232T98.4Very high97.2Very high41 Ų4133.3 Ų33.325%0.25216%0.163SC..SBendtrans-96.9125.2-175-56.90000110.1G228 Q229 G234 C235 I260G228-T232 PolarHBondContact O-OG1 3.19Å; Q229-T232 PolarHBondContact O-N 3.15Å; T232-G234 PolarHBondContact O-N 3.11Å; T232-C235 HydrophobicContact CG2-CB 4.15Å; T232-C235 VanDerWaalsContact CG2-SG 3.54Å; T232-C235 WeakPolarHBondContact O-CB 3.27Å; T232-C235 PolarHBondContact O-N 3.41Å; T232-I260 HydrophobicContact CG2-CG1 4.34Å
233Y98.5Very high97Very high109 Ų10935 Ų3543%0.42718%0.175SC..THydrogen-bonded Turntrans-49.6131.3179.8-173.6-100.9000111.8F88 C235 W238F88-Y233 HydrophobicContact CB-CD2 3.43Å; F88-Y233 VanDerWaalsContact CB-CD2 3.43Å; F88-Y233 HydrophobicContact CB-CE2 3.56Å; F88-Y233 AromaticContact CD1-CD2 3.77Å; F88-Y233 HydrophobicContact CD1-CD2 3.77Å; F88-Y233 HydrophobicContact CD2-CD2 4.42Å; F88-Y233 AromaticContact CG-CD2 3.62Å; F88-Y233 HydrophobicContact CG-CD2 3.62Å; F88-Y233 HydrophobicContact CG-CE2 4.25Å; Y233-C235 PolarHBondContact O-N 3.43Å; Y233-C235 VanDerWaalsContact O-N 3.12Å; Y233-C235 PolarHBondContact O-SG 3Å; Y233-W238 HydrophobicContact CD1-CZ3 4.42Å; Y233-W238 HydrophobicContact CE1-CH2 4.09Å; Y233-W238 AromaticContact CE1-CZ3 3.71Å; Y233-W238 HydrophobicContact CE1-CZ3 3.71Å; Y233-W238 HydrophobicContact CE2-CZ3 4.2Å; Y233-W238 AromaticContact CZ-CH2 3.9Å; Y233-W238 AromaticContact CZ-CZ3 3.59Å; Y233-W238 WeakPolarHBondContact OH-CH2 3.4Å
234G98.4Very high96.6Very high0 Ų032.2 Ų32.20%018%0.182CC..THydrogen-bonded Turntrans70.5-1.1179.200000116.3T232 Q263 A265 Q266T232-G234 PolarHBondContact O-N 3.11Å; G234-Q263 CarbonylContact O-C 3.5Å; G234-A265 WeakPolarHBondContact O-CB 3.11Å; G234-A265 PolarHBondContact O-N 2.9Å; G234-Q266 PolarHBondContact O-N 2.93Å
235C98.6Very high96.2Very high2 Ų235.6 Ų35.61%0.01420%0.196CC..THydrogen-bonded Turntrans-105.5-50.1-171.3-58.80000113.1Q229 T232 Y233 T252 I260Q229-C235 HydrophobicContact CB-CB 3.91Å; T232-C235 HydrophobicContact CG2-CB 4.15Å; T232-C235 VanDerWaalsContact CG2-SG 3.54Å; T232-C235 WeakPolarHBondContact O-CB 3.27Å; T232-C235 PolarHBondContact O-N 3.41Å; Y233-C235 PolarHBondContact O-N 3.43Å; Y233-C235 VanDerWaalsContact O-N 3.12Å; Y233-C235 PolarHBondContact O-SG 3Å; C235-T252 PolarHBondContact O-OG1 3.28Å; C235-I260 HydrophobicContact CB-CG1 4.36Å
236G98.5Very high95.9Very high0 Ų034 Ų340%018%0.177CC..SBendtrans-88.2-38.1-177.600000114.1Q229 V251 T252Q229-G236 VanDerWaalsContact O-CA 3.27Å; Q229-G236 WeakPolarHBondContact O-CA 3.26Å; Q229-G236 PolarHBondContact O-N 3.06Å; G236-V251 WeakPolarHBondContact O-CA 3.43Å; G236-T252 PolarHBondContact O-N 3.06Å
237C98.9Very high95.8Very high0 Ų032.5 Ų32.50%017%0.172CC..EExtended strand (participates in β ladder)trans-146.6152.8177.262.80000111.3A212 V250 V251A212-C237 HydrophobicContact CB-CB 3.86Å; C237-V250 CarbonylContact C-O 3.37Å; C237-V250 VanDerWaalsContact CA-O 3.24Å; C237-V250 WeakPolarHBondContact CA-O 3.38Å; C237-V251 HydrophobicContact CB-CG1 3.85Å
238W98.9Very high95.9Very high13 Ų1329.4 Ų29.45%0.04916%0.155CC..EExtended strand (participates in β ladder)trans-143.9142.8171.3-167.7-99.7000109.4M81 A212 Y233 E240 G249 V250 A265 Q266 A269M81-W238 HydrophobicContact CE-CD2 3.95Å; M81-W238 HydrophobicContact CE-CE3 3.8Å; M81-W238 HydrophobicContact CE-CH2 3.89Å; M81-W238 HydrophobicContact CE-CZ2 3.99Å; M81-W238 HydrophobicContact CE-CZ3 3.79Å; M81-W238 HydrophobicContact SD-CD2 3.78Å; M81-W238 HydrophobicContact SD-CE3 3.5Å; M81-W238 VanDerWaalsContact SD-CE3 3.5Å; M81-W238 HydrophobicContact SD-CG 4.25Å; M81-W238 HydrophobicContact SD-CZ3 4.01Å; A212-W238 VanDerWaalsContact CB-O 3.23Å; A212-W238 WeakPolarHBondContact CB-O 3.21Å; Y233-W238 HydrophobicContact CD1-CZ3 4.42Å; Y233-W238 HydrophobicContact CE1-CH2 4.09Å; Y233-W238 AromaticContact CE1-CZ3 3.71Å; Y233-W238 HydrophobicContact CE1-CZ3 3.71Å; Y233-W238 HydrophobicContact CE2-CZ3 4.2Å; Y233-W238 AromaticContact CZ-CH2 3.9Å; Y233-W238 AromaticContact CZ-CZ3 3.59Å; Y233-W238 WeakPolarHBondContact OH-CH2 3.4Å; W238-E240 PolarHBondContact NE1-OE2 2.86Å; W238-G249 CarbonylContact O-C 3.47Å; W238-G249 VanDerWaalsContact O-CA 3.24Å; W238-G249 WeakPolarHBondContact O-CA 3.4Å; W238-V250 PolarHBondContact N-O 2.97Å; W238-V250 PolarHBondContact O-N 3.11Å; W238-A265 HydrophobicContact CB-CB 4.1Å; W238-Q266 HydrophobicContact CD2-CB 3.8Å; W238-Q266 HydrophobicContact CD2-CG 3.87Å; W238-Q266 HydrophobicContact CE3-CB 3.64Å; W238-Q266 HydrophobicContact CE3-CG 3.85Å; W238-Q266 HydrophobicContact CG-CB 4.31Å; W238-Q266 HydrophobicContact CH2-CB 4.39Å; W238-Q266 VanDerWaalsContact CH2-CD 3.42Å; W238-Q266 HydrophobicContact CH2-CG 3.69Å; W238-Q266 HydrophobicContact CZ2-CG 3.76Å; W238-Q266 HydrophobicContact CZ3-CB 3.94Å; W238-Q266 HydrophobicContact CZ3-CG 3.74Å; W238-A269 HydrophobicContact CG-CB 4.08Å
239A98.8Very high96Very high0 Ų029.4 Ų29.40%016%0.155CC..EExtended strand (participates in β ladder)trans-146.1134.9173.500000108.5M81 G83 I210 A212 I248M81-A239 HydrophobicContact CB-CB 4.34Å; M81-A239 WeakPolarHBondContact CE-O 3.26Å; M81-A239 HydrophobicContact CG-CB 4.4Å; M81-A239 PolarHBondContact SD-N 3.27Å; G83-A239 VanDerWaalsContact CA-O 3.27Å; G83-A239 WeakPolarHBondContact CA-O 3.48Å; I210-A239 HydrophobicContact CG1-CB 4.49Å; I210-A239 HydrophobicContact CG2-CB 4.26Å; A212-A239 HydrophobicContact CB-CB 3.92Å; A239-I248 CarbonylContact C-O 3.52Å; A239-I248 WeakPolarHBondContact CA-O 3.38Å
240E97.8Very high96.1Very high46 Ų4629.3 Ų29.322%0.21516%0.155CC..EExtended strand (participates in β ladder)trans-155.8138.2-174.2176.3170.4-17400111.1L86 W238 L242 S247 I248L86-E240 HydrophobicContact CD2-CB 4.08Å; L86-E240 HydrophobicContact CD2-CG 3.97Å; W238-E240 PolarHBondContact NE1-OE2 2.86Å; E240-L242 HydrophobicContact CG-CD2 4.13Å; E240-S247 CarbonylContact O-C 3.51Å; E240-S247 VanDerWaalsContact O-CA 3.29Å; E240-S247 WeakPolarHBondContact O-CA 3.12Å; E240-I248 HydrophobicContact CB-CG2 4.01Å; E240-I248 PolarHBondContact N-O 2.82Å; E240-I248 PolarHBondContact O-N 3.28Å
241E95.4Very high96.1Very high57 Ų5729.3 Ų29.327%0.26616%0.155SC..EExtended strand (participates in β ladder)trans-89102.6164.3-68.6172-147.900108.2G83 S84 K209 I210 S243 S246G83-E241 PolarHBondContact O-N 3.46Å; S84-E241 WeakPolarHBondContact CA-OE1 3.43Å; S84-E241 WeakPolarHBondContact CB-OE1 3.25Å; K209-E241 WeakPolarHBondContact CD-OE1 3.17Å; K209-E241 VanDerWaalsContact NZ-CD 3.35Å; K209-E241 IonicContact NZ-OE1 3.16Å; K209-E241 PolarHBondContact NZ-OE1 3.09Å; K209-E241 VanDerWaalsContact NZ-OE1 3.16Å; K209-E241 IonicContact NZ-OE2 2.72Å; K209-E241 PolarHBondContact NZ-OE2 3.35Å; I210-E241 HydrophobicContact CG2-CG 4.38Å; E241-S243 VanDerWaalsContact C-N 3.3Å; E241-S243 PolarHBondContact O-N 3.07Å; E241-S246 CarbonylContact C-O 3.54Å
242L92.8Very high96.2Very high55 Ų5529.2 Ų29.229%0.28815%0.154SC..  trans-70.3-29-176.6-65166.1000112.1E240 S246 I248 F272 Y311E240-L242 HydrophobicContact CG-CD2 4.13Å; L242-S246 PolarHBondContact N-O 3.21Å; L242-I248 HydrophobicContact CD1-CB 3.96Å; L242-I248 HydrophobicContact CD1-CG2 3.74Å; L242-I248 HydrophobicContact CD2-CG2 3.89Å; L242-I248 HydrophobicContact CG-CB 4.44Å; L242-I248 HydrophobicContact CG-CG2 3.73Å; L242-F272 HydrophobicContact CD1-CB 3.98Å; L242-F272 VanDerWaalsContact CD1-O 3.28Å; L242-F272 WeakPolarHBondContact CD1-O 3.25Å; L242-Y311 HydrophobicContact CD1-CD2 4.34Å; L242-Y311 HydrophobicContact CD1-CE2 3.84Å
243S90.8Very high96.1Very high41 Ų4127.2 Ų27.229%0.28714%0.142SC..SBendtrans-154.3-176.7175.674.20000109.9E241 F245 S246E241-S243 VanDerWaalsContact C-N 3.3Å; E241-S243 PolarHBondContact O-N 3.07Å; S243-F245 PolarHBondContact O-N 3.16Å; S243-F245 VanDerWaalsContact O-N 3.12Å; S243-F245 PolarHBondContact OG-N 3.42Å; S243-S246 PolarHBondContact N-O 3.01Å; S243-S246 PolarHBondContact OG-N 2.62Å; S243-S246 PolarHBondContact OG-OG 2.7Å
244S86.8Confident96Very high117 Ų11722.3 Ų22.382%0.81812%0.124SC*.SBendtrans-61.8-15170.5-56.60000114.1
245F87.6Confident95.9Very high114 Ų11423.5 Ų23.550%0.513%0.132SC..SBendtrans-126.1-5.7-172.8-56.6-70.1000113.5S243 N313 F314 E315S243-F245 PolarHBondContact O-N 3.16Å; S243-F245 VanDerWaalsContact O-N 3.12Å; S243-F245 PolarHBondContact OG-N 3.42Å; F245-N313 WeakPolarHBondContact O-CA 3.49Å; F245-F314 WeakPolarHBondContact O-CD2 3.28Å; F245-F314 PolarHBondContact O-N 2.89Å; F245-E315 HydrophobicContact CB-CB 4.38Å; F245-E315 HydrophobicContact CB-CG 3.3Å; F245-E315 HydrophobicContact CD2-CG 3.69Å; F245-E315 HydrophobicContact CG-CG 3.72Å
246S91.6Very high95.8Very high14 Ų1423.5 Ų23.510%0.09813%0.133CC..EExtended strand (participates in β ladder)trans-134.1141.6-175.860.30000112.9E241 L242 S243 A312E241-S246 CarbonylContact C-O 3.54Å; L242-S246 PolarHBondContact N-O 3.21Å; S243-S246 PolarHBondContact N-O 3.01Å; S243-S246 PolarHBondContact OG-N 2.62Å; S243-S246 PolarHBondContact OG-OG 2.7Å; S246-A312 CarbonylContact C-O 3.55Å; S246-A312 WeakPolarHBondContact CA-O 3.39Å; S246-A312 WeakPolarHBondContact CB-O 3.4Å
247S94.9Very high95.7Very high4 Ų427.1 Ų27.13%0.02815%0.15CC..EExtended strand (participates in β ladder)trans-143.1150.1-179.359.60000111.3E240 Y311 A312E240-S247 CarbonylContact O-C 3.51Å; E240-S247 VanDerWaalsContact O-CA 3.29Å; E240-S247 WeakPolarHBondContact O-CA 3.12Å; S247-Y311 WeakPolarHBondContact O-CA 3.45Å; S247-A312 PolarHBondContact N-O 3.01Å; S247-A312 PolarHBondContact O-N 2.97Å
248I97.5Very high95.6Very high0 Ų027.4 Ų27.40%015%0.151CC..EExtended strand (participates in β ladder)trans-135.4135.9-178.6-177.157.1000109.5A239 E240 L242 V250 A269 F272 V310 Y311 F325A239-I248 CarbonylContact C-O 3.52Å; A239-I248 WeakPolarHBondContact CA-O 3.38Å; E240-I248 HydrophobicContact CB-CG2 4.01Å; E240-I248 PolarHBondContact N-O 2.82Å; E240-I248 PolarHBondContact O-N 3.28Å; L242-I248 HydrophobicContact CD1-CB 3.96Å; L242-I248 HydrophobicContact CD1-CG2 3.74Å; L242-I248 HydrophobicContact CD2-CG2 3.89Å; L242-I248 HydrophobicContact CG-CB 4.44Å; L242-I248 HydrophobicContact CG-CG2 3.73Å; I248-V250 HydrophobicContact CD1-CG2 4.28Å; I248-V250 HydrophobicContact CG1-CG2 4.24Å; I248-A269 HydrophobicContact CG1-CB 3.83Å; I248-A269 HydrophobicContact CG2-CB 3.96Å; I248-F272 HydrophobicContact CD1-CD1 4.17Å; I248-F272 HydrophobicContact CD1-CD2 3.77Å; I248-F272 HydrophobicContact CD1-CE1 4.12Å; I248-F272 HydrophobicContact CD1-CE2 3.73Å; I248-F272 HydrophobicContact CD1-CG 4Å; I248-F272 HydrophobicContact CD1-CZ 3.91Å; I248-F272 HydrophobicContact CG1-CD2 3.93Å; I248-F272 HydrophobicContact CG1-CE2 4.32Å; I248-F272 HydrophobicContact CG1-CG 4.18Å; I248-V310 WeakPolarHBondContact CD1-O 3.49Å; I248-Y311 HydrophobicContact CB-CD2 4.46Å; I248-Y311 HydrophobicContact CD1-CD2 4.42Å; I248-F325 HydrophobicContact CD1-CE1 3.83Å; I248-F325 HydrophobicContact CD1-CZ 3.9Å
249G98.7Very high95.6Very high0 Ų026.8 Ų26.80%015%0.149CC..EExtended strand (participates in β ladder)trans-139.4138.7170.300000110.9W238 G309 V310W238-G249 CarbonylContact O-C 3.47Å; W238-G249 VanDerWaalsContact O-CA 3.24Å; W238-G249 WeakPolarHBondContact O-CA 3.4Å; G249-G309 CarbonylContact O-C 3.55Å; G249-G309 WeakPolarHBondContact O-CA 3.2Å; G249-V310 PolarHBondContact N-O 3.49Å; G249-V310 PolarHBondContact O-N 2.9Å; G249-V310 VanDerWaalsContact O-N 3.1Å
250V98.9Very high95.6Very high0 Ų029.3 Ų29.30%016%0.161CC..EExtended strand (participates in β ladder)trans-135.6136.6-174.8-175.20000109C237 W238 I248 T252 A265 A269 V307 F325C237-V250 CarbonylContact C-O 3.37Å; C237-V250 VanDerWaalsContact CA-O 3.24Å; C237-V250 WeakPolarHBondContact CA-O 3.38Å; W238-V250 PolarHBondContact N-O 2.97Å; W238-V250 PolarHBondContact O-N 3.11Å; I248-V250 HydrophobicContact CD1-CG2 4.28Å; I248-V250 HydrophobicContact CG1-CG2 4.24Å; V250-T252 HydrophobicContact CG1-CG2 4.44Å; V250-A265 HydrophobicContact CB-CB 4.46Å; V250-A265 HydrophobicContact CG1-CB 4.29Å; V250-A269 HydrophobicContact CG2-CB 4.01Å; V250-V307 HydrophobicContact CG1-CB 4.48Å; V250-F325 HydrophobicContact CG2-CZ 4.09Å
251V98.9Very high95.6Very high0 Ų031.6 Ų31.60%017%0.168CC..EExtended strand (participates in β ladder)trans-127.3149.6167.4-70.40000110.2H7 A201 V202 A212 A213 G236 C237 V307 A308H7-V251 WeakPolarHBondContact CD2-CG2 3.27Å; H7-V251 WeakPolarHBondContact NE2-CG2 3.41Å; A201-V251 WeakPolarHBondContact O-CG1 3.41Å; V202-V251 HydrophobicContact CG2-CB 4.45Å; V202-V251 HydrophobicContact CG2-CG1 3.81Å; V202-V251 HydrophobicContact CG2-CG2 4.03Å; A212-V251 HydrophobicContact CB-CG1 4.1Å; A213-V251 WeakPolarHBondContact O-CG1 3.25Å; G236-V251 WeakPolarHBondContact O-CA 3.43Å; C237-V251 HydrophobicContact CB-CG1 3.85Å; V251-V307 WeakPolarHBondContact O-CA 3.45Å; V251-A308 HydrophobicContact CG2-CB 4Å; V251-A308 WeakPolarHBondContact CG2-O 3.29Å; V251-A308 PolarHBondContact N-O 3.08Å; V251-A308 PolarHBondContact O-N 3.24Å
252T98.7Very high95.8Very high0 Ų029 Ų290%016%0.156CC..EExtended strand (participates in β ladder)trans-124.8153.7-173.170.50000113.7C235 G236 V250 L264 A265 G306 V307C235-T252 PolarHBondContact O-OG1 3.28Å; G236-T252 PolarHBondContact O-N 3.06Å; V250-T252 HydrophobicContact CG1-CG2 4.44Å; T252-L264 HydrophobicContact CG2-CB 4.2Å; T252-L264 HydrophobicContact CG2-CD2 4.4Å; T252-L264 HydrophobicContact CG2-CG 4.29Å; T252-A265 HydrophobicContact CG2-CB 3.75Å; T252-G306 VanDerWaalsContact CA-O 3.26Å; T252-G306 WeakPolarHBondContact CA-O 3.27Å; T252-V307 HydrophobicContact CG2-CG1 4.37Å
253S98.1Very high96Very high0 Ų030 Ų300%016%0.159CC..EExtended strand (participates in β ladder)trans-146.8152174.7-1650000110.5A10 F196 T198 A305 G306A10-S253 PolarHBondContact N-OG 2.87Å; F196-S253 PolarHBondContact O-OG 3.3Å; T198-S253 PolarHBondContact O-OG 2.88Å; S253-A305 CarbonylContact O-C 3.57Å; S253-A305 WeakPolarHBondContact O-CA 3.39Å; S253-G306 PolarHBondContact N-O 3.3Å; S253-G306 PolarHBondContact O-N 2.99Å
254G96.3Very high96.4Very high5 Ų528.1 Ų28.15%0.05215%0.146CC..EExtended strand (participates in β ladder)trans136.8-146.3-175.900000112.8G256 F304G254-G256 PolarHBondContact O-N 3.37Å; G254-F304 WeakPolarHBondContact CA-O 3.42Å
255T95.6Very high97Very high25 Ų2522.5 Ų22.515%0.15311%0.107CC..  trans-78.7111179.1-53.10000110.2E257 Q258 L259 F304T255-E257 VanDerWaalsContact C-N 3.33Å; T255-E257 PolarHBondContact O-N 3.23Å; T255-Q258 HydrophobicContact CG2-CB 4.27Å; T255-Q258 HydrophobicContact CG2-CG 3.71Å; T255-Q258 WeakPolarHBondContact O-CB 3.44Å; T255-Q258 PolarHBondContact O-N 3.46Å; T255-Q258 PolarHBondContact OG1-OE1 3.36Å; T255-Q258 VanDerWaalsContact OG1-OE1 3.14Å; T255-L259 WeakPolarHBondContact O-CG 3.38Å; T255-L259 PolarHBondContact O-N 3.45Å; T255-F304 PolarHBondContact N-O 2.93Å
256G95.8Very high97.5Very high3 Ų318.6 Ų18.63%0.0319%0.09CC..Hα-helixtrans-55-43.1-173.800000114.4G254 Q258 L259 I260G254-G256 PolarHBondContact O-N 3.37Å; G256-Q258 VanDerWaalsContact C-N 3.28Å; G256-Q258 PolarHBondContact O-N 3.44Å; G256-L259 PolarHBondContact O-N 3.46Å; G256-I260 WeakPolarHBondContact O-CB 3.44Å; G256-I260 VanDerWaalsContact O-CG1 3.27Å; G256-I260 WeakPolarHBondContact O-CG1 3.42Å; G256-I260 PolarHBondContact O-N 3.42Å
257E96.4Very high97.8Very high76 Ų7622 Ų2236%0.35510%0.101SC..Hα-helixtrans-66.6-29.4179.2-67.469.7-155.800112.4R226 T255 R261R226-E257 IonicContact CZ-OE1 3.37Å; R226-E257 VanDerWaalsContact CZ-OE1 3.23Å; R226-E257 IonicContact NE-OE1 2.9Å; R226-E257 PolarHBondContact NE-OE1 2.88Å; R226-E257 VanDerWaalsContact NH2-CD 3.27Å; R226-E257 IonicContact NH2-OE1 3.23Å; R226-E257 PolarHBondContact NH2-OE1 2.93Å; R226-E257 IonicContact NH2-OE2 2.7Å; R226-E257 PolarHBondContact NH2-OE2 3.3Å; R226-E257 VanDerWaalsContact NH2-OE2 3.1Å; T255-E257 VanDerWaalsContact C-N 3.33Å; T255-E257 PolarHBondContact O-N 3.23Å; E257-R261 WeakPolarHBondContact O-CB 3.42Å; E257-R261 VanDerWaalsContact O-CG 3.32Å; E257-R261 WeakPolarHBondContact O-CG 3.38Å; E257-R261 PolarHBondContact O-N 3.1Å; E257-R261 PolarHBondContact O-NE 3.48Å; E257-R261 VanDerWaalsContact O-NE 3.1Å
258Q97.9Very high98Very high6 Ų622 Ų223%0.02810%0.101CC..Hα-helixtrans-74.6-46.4175-63.7175.9-20.100109.8T255 G256 I260 R261 T262 F291 L297 D300 E302T255-Q258 HydrophobicContact CG2-CB 4.27Å; T255-Q258 HydrophobicContact CG2-CG 3.71Å; T255-Q258 WeakPolarHBondContact O-CB 3.44Å; T255-Q258 PolarHBondContact O-N 3.46Å; T255-Q258 PolarHBondContact OG1-OE1 3.36Å; T255-Q258 VanDerWaalsContact OG1-OE1 3.14Å; G256-Q258 VanDerWaalsContact C-N 3.28Å; G256-Q258 PolarHBondContact O-N 3.44Å; Q258-I260 VanDerWaalsContact C-N 3.33Å; Q258-I260 PolarHBondContact O-N 3.29Å; Q258-R261 PolarHBondContact O-N 3.44Å; Q258-T262 WeakPolarHBondContact O-CG2 3.46Å; Q258-T262 PolarHBondContact O-N 3.05Å; Q258-T262 PolarHBondContact O-OG1 3.18Å; Q258-T262 VanDerWaalsContact O-OG1 3.05Å; Q258-F291 HydrophobicContact CB-CE2 3.76Å; Q258-F291 HydrophobicContact CB-CZ 3.68Å; Q258-L297 HydrophobicContact CB-CD1 3.94Å; Q258-L297 HydrophobicContact CB-CD2 3.87Å; Q258-L297 HydrophobicContact CG-CD1 4.28Å; Q258-L297 HydrophobicContact CG-CD2 3.94Å; Q258-D300 PolarHBondContact NE2-OD1 3.01Å; Q258-E302 PolarHBondContact NE2-O 3.34Å
259L98.4Very high98Very high0 Ų022 Ų220%010%0.101CC..Hα-helixtrans-62.6-37.6179-64.2172.4000112.6Q229 T255 G256 T262 Q263 L264 F291 A305Q229-L259 HydrophobicContact CB-CB 3.83Å; Q229-L259 HydrophobicContact CB-CD1 4.44Å; Q229-L259 HydrophobicContact CG-CB 4.01Å; Q229-L259 HydrophobicContact CG-CD1 3.7Å; T255-L259 WeakPolarHBondContact O-CG 3.38Å; T255-L259 PolarHBondContact O-N 3.45Å; G256-L259 PolarHBondContact O-N 3.46Å; L259-T262 PolarHBondContact O-OG1 3.42Å; L259-Q263 WeakPolarHBondContact O-CA 3.49Å; L259-Q263 PolarHBondContact O-N 2.88Å; L259-L264 HydrophobicContact CD2-CB 3.95Å; L259-L264 HydrophobicContact CD2-CD2 3.46Å; L259-L264 VanDerWaalsContact CD2-CD2 3.46Å; L259-L264 HydrophobicContact CD2-CG 4.35Å; L259-L264 PolarHBondContact O-N 3.23Å; L259-F291 HydrophobicContact CD2-CD2 4.44Å; L259-F291 HydrophobicContact CD2-CE2 3.88Å; L259-F291 HydrophobicContact CD2-CZ 4.47Å; L259-A305 HydrophobicContact CD2-CB 3.88Å
260I98.5Very high98Very high53 Ų5326.8 Ų26.827%0.27212%0.123SC..Hα-helixtrans-63.9-51.9172.4-70.2166.6000110.4Q229 T232 C235 G256 Q258 T262 Q263Q229-I260 HydrophobicContact CB-CG1 4.05Å; T232-I260 HydrophobicContact CG2-CG1 4.34Å; C235-I260 HydrophobicContact CB-CG1 4.36Å; G256-I260 WeakPolarHBondContact O-CB 3.44Å; G256-I260 VanDerWaalsContact O-CG1 3.27Å; G256-I260 WeakPolarHBondContact O-CG1 3.42Å; G256-I260 PolarHBondContact O-N 3.42Å; Q258-I260 VanDerWaalsContact C-N 3.33Å; Q258-I260 PolarHBondContact O-N 3.29Å; I260-T262 PolarHBondContact O-N 3.34Å; I260-Q263 PolarHBondContact O-N 2.62Å; I260-Q263 VanDerWaalsContact O-N 3.14Å
261R98.4Very high97.8Very high94 Ų9430.4 Ų30.436%0.35514%0.136SC..Hα-helixtrans-60.7-28.4-178.4-80.7-175.4-69.9159.2-8.2113.2E257 Q258 Y296 L297 D300E257-R261 WeakPolarHBondContact O-CB 3.42Å; E257-R261 VanDerWaalsContact O-CG 3.32Å; E257-R261 WeakPolarHBondContact O-CG 3.38Å; E257-R261 PolarHBondContact O-N 3.1Å; E257-R261 PolarHBondContact O-NE 3.48Å; E257-R261 VanDerWaalsContact O-NE 3.1Å; Q258-R261 PolarHBondContact O-N 3.44Å; R261-Y296 PolarHBondContact NH1-O 2.89Å; R261-L297 HydrophobicContact CB-CD2 4.22Å; R261-L297 VanDerWaalsContact CZ-CD2 3.49Å; R261-D300 IonicContact CZ-OD1 3.29Å; R261-D300 IonicContact CZ-OD2 3.89Å; R261-D300 VanDerWaalsContact CZ-OD2 3.23Å; R261-D300 IonicContact NH1-OD2 3.74Å; R261-D300 PolarHBondContact NH1-OD2 2.71Å; R261-D300 IonicContact NH2-OD1 3.86Å; R261-D300 PolarHBondContact NH2-OD1 2.96Å; R261-D300 IonicContact NH2-OD2 2.83Å; R261-D300 PolarHBondContact NH2-OD2 3.5Å
262T98.6Very high97.5Very high1 Ų130.7 Ų30.71%0.00614%0.138CC..Hα-helixtrans-96.5-12.3178.359.70000114.2Q258 L259 I260 L264 R267 F291 L297Q258-T262 WeakPolarHBondContact O-CG2 3.46Å; Q258-T262 PolarHBondContact O-N 3.05Å; Q258-T262 PolarHBondContact O-OG1 3.18Å; Q258-T262 VanDerWaalsContact O-OG1 3.05Å; L259-T262 PolarHBondContact O-OG1 3.42Å; I260-T262 PolarHBondContact O-N 3.34Å; T262-L264 PolarHBondContact O-N 3.02Å; T262-R267 WeakPolarHBondContact O-CD 3.36Å; T262-F291 HydrophobicContact CG2-CD2 3.83Å; T262-F291 HydrophobicContact CG2-CE2 4.29Å; T262-L297 HydrophobicContact CG2-CD1 3.81Å; T262-L297 HydrophobicContact CG2-CD2 4.18Å; T262-L297 HydrophobicContact CG2-CG 3.82Å
263Q98.6Very high96.8Very high76 Ų7635.5 Ų35.536%0.35516%0.164SC..THydrogen-bonded Turntrans48.548.6-172.3-63.5172.163.800111.6G234 L259 I260 A265 Q266 R267G234-Q263 CarbonylContact O-C 3.5Å; L259-Q263 WeakPolarHBondContact O-CA 3.49Å; L259-Q263 PolarHBondContact O-N 2.88Å; I260-Q263 PolarHBondContact O-N 2.62Å; I260-Q263 VanDerWaalsContact O-N 3.14Å; Q263-A265 VanDerWaalsContact C-N 3.32Å; Q263-A265 PolarHBondContact O-N 2.8Å; Q263-Q266 PolarHBondContact O-N 2.89Å; Q263-R267 HydrophobicContact CB-CG 4.37Å; Q263-R267 WeakPolarHBondContact O-CB 3.24Å; Q263-R267 PolarHBondContact O-N 3.23Å; Q263-R267 VanDerWaalsContact O-N 3.08Å
264L98.7Very high95.7Very high2 Ų238.4 Ų38.41%0.0119%0.193CC..Hα-helixtrans-62.5-35.5-160.5-174.261.5000113.2T252 L259 T262 S268 F291 A305 V307T252-L264 HydrophobicContact CG2-CB 4.2Å; T252-L264 HydrophobicContact CG2-CD2 4.4Å; T252-L264 HydrophobicContact CG2-CG 4.29Å; L259-L264 HydrophobicContact CD2-CB 3.95Å; L259-L264 HydrophobicContact CD2-CD2 3.46Å; L259-L264 VanDerWaalsContact CD2-CD2 3.46Å; L259-L264 HydrophobicContact CD2-CG 4.35Å; L259-L264 PolarHBondContact O-N 3.23Å; T262-L264 PolarHBondContact O-N 3.02Å; L264-S268 VanDerWaalsContact O-CB 3.25Å; L264-S268 WeakPolarHBondContact O-CB 3.22Å; L264-S268 PolarHBondContact O-N 2.83Å; L264-S268 PolarHBondContact O-OG 3.33Å; L264-F291 HydrophobicContact CD1-CB 4.09Å; L264-F291 HydrophobicContact CD1-CD2 4.43Å; L264-F291 HydrophobicContact CD2-CD2 3.97Å; L264-F291 HydrophobicContact CD2-CG 4.34Å; L264-A305 HydrophobicContact CD2-CB 3.6Å; L264-V307 HydrophobicContact CD2-CG1 3.77Å; L264-V307 HydrophobicContact CG-CG1 4.01Å
265A98.8Very high94.7Very high0 Ų042.7 Ų42.70%022%0.215CC..Hα-helixtrans-64.3-57.3-177.700000111.3G234 W238 V250 T252 Q263 S268 A269G234-A265 WeakPolarHBondContact O-CB 3.11Å; G234-A265 PolarHBondContact O-N 2.9Å; W238-A265 HydrophobicContact CB-CB 4.1Å; V250-A265 HydrophobicContact CB-CB 4.46Å; V250-A265 HydrophobicContact CG1-CB 4.29Å; T252-A265 HydrophobicContact CG2-CB 3.75Å; Q263-A265 VanDerWaalsContact C-N 3.32Å; Q263-A265 PolarHBondContact O-N 2.8Å; A265-S268 PolarHBondContact O-N 3.42Å; A265-A269 PolarHBondContact O-N 3.14Å; A265-A269 VanDerWaalsContact O-N 3.16Å
266Q98.7Very high93.8Very high32 Ų3247.5 Ų47.515%0.1525%0.25CC..Hα-helixtrans-60.6-49.1179.9178.8179.33.400111.4G234 W238 Q263 S268 A269 E270G234-Q266 PolarHBondContact O-N 2.93Å; W238-Q266 HydrophobicContact CD2-CB 3.8Å; W238-Q266 HydrophobicContact CD2-CG 3.87Å; W238-Q266 HydrophobicContact CE3-CB 3.64Å; W238-Q266 HydrophobicContact CE3-CG 3.85Å; W238-Q266 HydrophobicContact CG-CB 4.31Å; W238-Q266 HydrophobicContact CH2-CB 4.39Å; W238-Q266 VanDerWaalsContact CH2-CD 3.42Å; W238-Q266 HydrophobicContact CH2-CG 3.69Å; W238-Q266 HydrophobicContact CZ2-CG 3.76Å; W238-Q266 HydrophobicContact CZ3-CB 3.94Å; W238-Q266 HydrophobicContact CZ3-CG 3.74Å; Q263-Q266 PolarHBondContact O-N 2.89Å; Q266-S268 PolarHBondContact O-N 3.02Å; Q266-A269 WeakPolarHBondContact O-CA 3.46Å; Q266-A269 WeakPolarHBondContact O-CB 3.41Å; Q266-A269 PolarHBondContact O-N 2.92Å; Q266-E270 HydrophobicContact CG-CG 4.25Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.38Å; Q266-E270 PolarHBondContact NE2-OE1 3.1Å; Q266-E270 WeakPolarHBondContact O-CG 3.36Å; Q266-E270 PolarHBondContact O-N 2.85Å
267R98.3Very high93.4Very high86 Ų8651.3 Ų51.333%0.32527%0.269SS..Hα-helixtrans-68.4-21.1-177.9-69.8-165.1175.6177.3-3.4114.3T262 Q263 R271T262-R267 WeakPolarHBondContact O-CD 3.36Å; Q263-R267 HydrophobicContact CB-CG 4.37Å; Q263-R267 WeakPolarHBondContact O-CB 3.24Å; Q263-R267 PolarHBondContact O-N 3.23Å; Q263-R267 VanDerWaalsContact O-N 3.08Å; R267-R271 WeakPolarHBondContact O-CD 3.34Å; R267-R271 WeakPolarHBondContact O-CG 3.49Å; R267-R271 PolarHBondContact O-NE 3.06Å
268S98.6Very high93.2Very high3 Ų350.3 Ų50.32%0.02127%0.27CS..Hα-helixtrans-73.7-40.8169.5-57.90000110.2L264 A265 Q266 R271 F272 S286L264-S268 VanDerWaalsContact O-CB 3.25Å; L264-S268 WeakPolarHBondContact O-CB 3.22Å; L264-S268 PolarHBondContact O-N 2.83Å; L264-S268 PolarHBondContact O-OG 3.33Å; A265-S268 PolarHBondContact O-N 3.42Å; Q266-S268 PolarHBondContact O-N 3.02Å; S268-R271 PolarHBondContact O-N 2.81Å; S268-F272 VanDerWaalsContact O-CD2 3.29Å; S268-F272 WeakPolarHBondContact O-CD2 3.44Å; S268-F272 WeakPolarHBondContact O-CE2 3.05Å; S268-S286 WeakPolarHBondContact OG-CB 3.43Å
269A98.1Very high93.1Very high0 Ų050.2 Ų50.20%027%0.269CS..Hα-helixtrans-66.2-41.8177.700000112.7W238 I248 V250 A265 Q266 R271 F272W238-A269 HydrophobicContact CG-CB 4.08Å; I248-A269 HydrophobicContact CG1-CB 3.83Å; I248-A269 HydrophobicContact CG2-CB 3.96Å; V250-A269 HydrophobicContact CG2-CB 4.01Å; A265-A269 PolarHBondContact O-N 3.14Å; A265-A269 VanDerWaalsContact O-N 3.16Å; Q266-A269 WeakPolarHBondContact O-CA 3.46Å; Q266-A269 WeakPolarHBondContact O-CB 3.41Å; Q266-A269 PolarHBondContact O-N 2.92Å; A269-R271 PolarHBondContact O-N 2.86Å; A269-F272 WeakPolarHBondContact O-CB 3.44Å; A269-F272 WeakPolarHBondContact O-CD2 3.42Å; A269-F272 PolarHBondContact O-N 3.12Å
270E96.7Very high93Very high100 Ų10053 Ų5347%0.46729%0.289SS..THydrogen-bonded Turntrans-59.7-18.7178.6-73.3172171.400113.9Q266 F272Q266-E270 HydrophobicContact CG-CG 4.25Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.38Å; Q266-E270 PolarHBondContact NE2-OE1 3.1Å; Q266-E270 WeakPolarHBondContact O-CG 3.36Å; Q266-E270 PolarHBondContact O-N 2.85Å; E270-F272 VanDerWaalsContact C-N 3.26Å; E270-F272 PolarHBondContact O-N 3.28Å
271R95.8Very high92.9Very high76 Ų7655.8 Ų55.829%0.28730%0.301SS..THydrogen-bonded Turntrans-76.9-12.7175.9-67165.8177-84.211.6113.1R267 S268 A269 N273 I282 S285 S286R267-R271 WeakPolarHBondContact O-CD 3.34Å; R267-R271 WeakPolarHBondContact O-CG 3.49Å; R267-R271 PolarHBondContact O-NE 3.06Å; S268-R271 PolarHBondContact O-N 2.81Å; A269-R271 PolarHBondContact O-N 2.86Å; R271-N273 VanDerWaalsContact C-N 3.31Å; R271-N273 PolarHBondContact O-N 2.97Å; R271-I282 HydrophobicContact CB-CG2 3.58Å; R271-S285 PolarHBondContact NH1-OG 3.5Å; R271-S285 PolarHBondContact NH2-O 3.2Å; R271-S286 WeakPolarHBondContact CD-OG 3.42Å
272F93.3Very high92.8Very high7 Ų751.9 Ų51.93%0.03129%0.287CS..  trans-88.170.4174.3-66.6-101.9000109.6L242 I248 S268 A269 E270 V279 I282 Y311 F325L242-F272 HydrophobicContact CD1-CB 3.98Å; L242-F272 VanDerWaalsContact CD1-O 3.28Å; L242-F272 WeakPolarHBondContact CD1-O 3.25Å; I248-F272 HydrophobicContact CD1-CD1 4.17Å; I248-F272 HydrophobicContact CD1-CD2 3.77Å; I248-F272 HydrophobicContact CD1-CE1 4.12Å; I248-F272 HydrophobicContact CD1-CE2 3.73Å; I248-F272 HydrophobicContact CD1-CG 4Å; I248-F272 HydrophobicContact CD1-CZ 3.91Å; I248-F272 HydrophobicContact CG1-CD2 3.93Å; I248-F272 HydrophobicContact CG1-CE2 4.32Å; I248-F272 HydrophobicContact CG1-CG 4.18Å; S268-F272 VanDerWaalsContact O-CD2 3.29Å; S268-F272 WeakPolarHBondContact O-CD2 3.44Å; S268-F272 WeakPolarHBondContact O-CE2 3.05Å; A269-F272 WeakPolarHBondContact O-CB 3.44Å; A269-F272 WeakPolarHBondContact O-CD2 3.42Å; A269-F272 PolarHBondContact O-N 3.12Å; E270-F272 VanDerWaalsContact C-N 3.26Å; E270-F272 PolarHBondContact O-N 3.28Å; F272-V279 HydrophobicContact CE1-CB 4.36Å; F272-V279 HydrophobicContact CE1-CG1 4.02Å; F272-V279 HydrophobicContact CE1-CG2 3.89Å; F272-V279 HydrophobicContact CZ-CG1 4.17Å; F272-I282 HydrophobicContact CD1-CD1 3.84Å; F272-I282 HydrophobicContact CD2-CG2 3.73Å; F272-I282 HydrophobicContact CE1-CD1 4.01Å; F272-I282 HydrophobicContact CE1-CG2 4.28Å; F272-I282 HydrophobicContact CE2-CB 4.36Å; F272-I282 HydrophobicContact CE2-CG2 3.33Å; F272-I282 HydrophobicContact CG-CD1 4.16Å; F272-I282 HydrophobicContact CG-CG2 4.35Å; F272-I282 HydrophobicContact CZ-CB 4.22Å; F272-I282 HydrophobicContact CZ-CD1 4.45Å; F272-I282 HydrophobicContact CZ-CG2 3.65Å; F272-Y311 HydrophobicContact CB-CD2 4.29Å; F272-Y311 HydrophobicContact CB-CE2 4.25Å; F272-Y311 HydrophobicContact CD1-CD1 4.06Å; F272-Y311 AromaticContact CD1-CD2 3.54Å; F272-Y311 HydrophobicContact CD1-CD2 3.54Å; F272-Y311 HydrophobicContact CD1-CE2 4.04Å; F272-Y311 AromaticContact CD1-CG 3.54Å; F272-Y311 HydrophobicContact CD1-CG 3.54Å; F272-Y311 HydrophobicContact CE1-CD1 4.27Å; F272-Y311 HydrophobicContact CE1-CD2 4.2Å; F272-Y311 AromaticContact CE1-CG 3.78Å; F272-Y311 HydrophobicContact CE1-CG 3.78Å; F272-Y311 HydrophobicContact CG-CD2 4.21Å; F272-F325 HydrophobicContact CE1-CE1 4.41Å; F272-F325 HydrophobicContact CE2-CE1 4.5Å; F272-F325 HydrophobicContact CE2-CZ 4.42Å; F272-F325 HydrophobicContact CZ-CD1 4.34Å; F272-F325 AromaticContact CZ-CE1 3.81Å; F272-F325 HydrophobicContact CZ-CE1 3.81Å; F272-F325 HydrophobicContact CZ-CZ 4.13Å
273N84.1Confident92.8Very high101 Ų10152 Ų5254%0.5429%0.287SS..SBendtrans-100.29.3-174.365.3-6.8000114.1R271 D275R271-N273 VanDerWaalsContact C-N 3.31Å; R271-N273 PolarHBondContact O-N 2.97Å; N273-D275 PolarHBondContact ND2-OD2 3.02Å; N273-D275 WeakPolarHBondContact OD1-CB 3.24Å; N273-D275 PolarHBondContact OD1-N 3.4Å; N273-D275 VanDerWaalsContact OD1-N 3.16Å; N273-D275 PolarHBondContact OD1-OD2 3.29Å; N273-D275 VanDerWaalsContact OD1-OD2 3.07Å
274G74.2Confident92.8Very high60 Ų6052.5 Ų52.562%0.61929%0.29SS*.SBendtrans88.11.6-178.700000115.3
275D75.3Confident92.7Very high95 Ų9553.6 Ų53.651%0.50830%0.298SS..  trans-61.2155.1172-70.6-27.2000111.3N273 I277N273-D275 PolarHBondContact ND2-OD2 3.02Å; N273-D275 WeakPolarHBondContact OD1-CB 3.24Å; N273-D275 PolarHBondContact OD1-N 3.4Å; N273-D275 VanDerWaalsContact OD1-N 3.16Å; N273-D275 PolarHBondContact OD1-OD2 3.29Å; N273-D275 VanDerWaalsContact OD1-OD2 3.07Å; D275-I277 HydrophobicContact CB-CD1 4.1Å; D275-I277 HydrophobicContact CB-CG1 4.06Å; D275-I277 PolarHBondContact O-N 2.88Å
276S76.3Confident92.7Very high126 Ų12653.7 Ų53.788%0.88130%0.298SS*.SBendtrans-73.429.6179.6-60.30000114.1
277I87.7Confident92.7Very high84 Ų8452.2 Ų52.243%0.43129%0.292SS..  trans-89.4137.4179.5-57.3174.1000108.2D275 E281 I282D275-I277 HydrophobicContact CB-CD1 4.1Å; D275-I277 HydrophobicContact CB-CG1 4.06Å; D275-I277 PolarHBondContact O-N 2.88Å; I277-E281 HydrophobicContact CG2-CB 3.58Å; I277-E281 WeakPolarHBondContact CG2-OE2 3.23Å; I277-I282 HydrophobicContact CB-CG1 4.31Å; I277-I282 HydrophobicContact CG2-CG1 3.83Å
278S92.8Very high92.7Very high54 Ų5448.9 Ų48.938%0.37828%0.281SS..  trans-69.3151178.466.20000112S280 E281 I282S278-S280 PolarHBondContact O-N 3.01Å; S278-E281 PolarHBondContact N-OE2 2.93Å; S278-E281 VanDerWaalsContact N-OE2 3.08Å; S278-E281 PolarHBondContact O-N 2.82Å; S278-E281 WeakPolarHBondContact OG-CB 3.2Å; S278-E281 VanDerWaalsContact OG-CD 3.28Å; S278-E281 VanDerWaalsContact OG-CG 3.25Å; S278-E281 WeakPolarHBondContact OG-CG 3.25Å; S278-E281 PolarHBondContact OG-N 3.08Å; S278-E281 PolarHBondContact OG-OE2 3.49Å; S278-I282 PolarHBondContact O-N 3.23Å
279V94.7Very high92.6Very high4 Ų453.2 Ų53.22%0.02430%0.303CS..Hα-helixtrans-55.9-35.7174174.80000111.6F272 E281 I282 V283 Y311 E323 F325 V363F272-V279 HydrophobicContact CE1-CB 4.36Å; F272-V279 HydrophobicContact CE1-CG1 4.02Å; F272-V279 HydrophobicContact CE1-CG2 3.89Å; F272-V279 HydrophobicContact CZ-CG1 4.17Å; V279-E281 PolarHBondContact O-N 2.91Å; V279-I282 PolarHBondContact O-N 3.35Å; V279-V283 HydrophobicContact CG1-CG2 4.29Å; V279-V283 VanDerWaalsContact O-CG2 3.24Å; V279-V283 WeakPolarHBondContact O-CG2 3.33Å; V279-V283 PolarHBondContact O-N 2.92Å; V279-Y311 HydrophobicContact CG2-CD1 3.93Å; V279-E323 HydrophobicContact CB-CB 4.47Å; V279-E323 WeakPolarHBondContact CB-OE2 3.39Å; V279-E323 HydrophobicContact CG1-CB 4.44Å; V279-E323 HydrophobicContact CG2-CB 3.99Å; V279-E323 HydrophobicContact CG2-CG 4.27Å; V279-E323 VanDerWaalsContact CG2-OE1 3.29Å; V279-E323 WeakPolarHBondContact CG2-OE1 3.27Å; V279-E323 VanDerWaalsContact CG2-OE2 3.27Å; V279-E323 WeakPolarHBondContact CG2-OE2 3.46Å; V279-F325 HydrophobicContact CG1-CB 4.02Å; V279-F325 HydrophobicContact CG1-CD1 3.73Å; V279-F325 HydrophobicContact CG1-CG 4.14Å; V279-V363 HydrophobicContact CB-CG1 4.18Å; V279-V363 HydrophobicContact CG1-CG1 3.99Å; V279-V363 HydrophobicContact CG1-CG2 4.22Å
280S96.1Very high92.6Very high58 Ų5853.8 Ų53.841%0.40631%0.31SS..Hα-helixtrans-61.5-43.8176.7-169.30000112.6S278 V283 H284S278-S280 PolarHBondContact O-N 3.01Å; S280-V283 PolarHBondContact O-N 3.03Å; S280-H284 WeakPolarHBondContact O-CB 3.44Å; S280-H284 PolarHBondContact O-N 2.84Å
281E96.8Very high92.7Very high112 Ų11249 Ų4952%0.52329%0.288SS..Hα-helixtrans-68.5-38.4176.6-73.5165150.400112.1I277 S278 V279 H284 S285I277-E281 HydrophobicContact CG2-CB 3.58Å; I277-E281 WeakPolarHBondContact CG2-OE2 3.23Å; S278-E281 PolarHBondContact N-OE2 2.93Å; S278-E281 VanDerWaalsContact N-OE2 3.08Å; S278-E281 PolarHBondContact O-N 2.82Å; S278-E281 WeakPolarHBondContact OG-CB 3.2Å; S278-E281 VanDerWaalsContact OG-CD 3.28Å; S278-E281 VanDerWaalsContact OG-CG 3.25Å; S278-E281 WeakPolarHBondContact OG-CG 3.25Å; S278-E281 PolarHBondContact OG-N 3.08Å; S278-E281 PolarHBondContact OG-OE2 3.49Å; V279-E281 PolarHBondContact O-N 2.91Å; E281-H284 WeakPolarHBondContact O-CB 3.35Å; E281-H284 PolarHBondContact O-N 3.13Å; E281-S285 PolarHBondContact O-N 3.23Å
282I97.4Very high92.9Very high13 Ų1346.8 Ų46.87%0.06728%0.281CS..Hα-helixtrans-61.3-46.6175.5-66.7169.5000110.5R271 F272 I277 S278 V279 H284 S285 S286R271-I282 HydrophobicContact CB-CG2 3.58Å; F272-I282 HydrophobicContact CD1-CD1 3.84Å; F272-I282 HydrophobicContact CD2-CG2 3.73Å; F272-I282 HydrophobicContact CE1-CD1 4.01Å; F272-I282 HydrophobicContact CE1-CG2 4.28Å; F272-I282 HydrophobicContact CE2-CB 4.36Å; F272-I282 HydrophobicContact CE2-CG2 3.33Å; F272-I282 HydrophobicContact CG-CD1 4.16Å; F272-I282 HydrophobicContact CG-CG2 4.35Å; F272-I282 HydrophobicContact CZ-CB 4.22Å; F272-I282 HydrophobicContact CZ-CD1 4.45Å; F272-I282 HydrophobicContact CZ-CG2 3.65Å; I277-I282 HydrophobicContact CB-CG1 4.31Å; I277-I282 HydrophobicContact CG2-CG1 3.83Å; S278-I282 PolarHBondContact O-N 3.23Å; V279-I282 PolarHBondContact O-N 3.35Å; I282-H284 VanDerWaalsContact C-N 3.3Å; I282-H284 PolarHBondContact O-N 3.18Å; I282-S285 PolarHBondContact O-N 3.2Å; I282-S286 WeakPolarHBondContact O-CB 3.36Å; I282-S286 PolarHBondContact O-N 2.87Å; I282-S286 PolarHBondContact O-OG 3.06Å
283V98.1Very high93.1Very high2 Ų252.1 Ų52.11%0.01231%0.31CS..Hα-helixtrans-64.8-38176.9175.30000110.6V279 S280 S286 L287 V307 F325 I361V279-V283 HydrophobicContact CG1-CG2 4.29Å; V279-V283 VanDerWaalsContact O-CG2 3.24Å; V279-V283 WeakPolarHBondContact O-CG2 3.33Å; V279-V283 PolarHBondContact O-N 2.92Å; S280-V283 PolarHBondContact O-N 3.03Å; V283-S286 WeakPolarHBondContact O-CB 3.38Å; V283-S286 PolarHBondContact O-N 3.39Å; V283-L287 HydrophobicContact CG1-CD1 4.27Å; V283-L287 PolarHBondContact O-N 2.93Å; V283-L287 VanDerWaalsContact O-N 3.1Å; V283-V307 HydrophobicContact CG1-CG2 3.97Å; V283-F325 HydrophobicContact CG2-CB 3.81Å; V283-F325 HydrophobicContact CG2-CD1 4.45Å; V283-F325 HydrophobicContact CG2-CD2 3.57Å; V283-F325 HydrophobicContact CG2-CE2 4.25Å; V283-F325 HydrophobicContact CG2-CG 3.69Å; V283-I361 HydrophobicContact CB-CG2 4.25Å; V283-I361 HydrophobicContact CG1-CD1 4.39Å; V283-I361 HydrophobicContact CG1-CG1 4.26Å; V283-I361 HydrophobicContact CG1-CG2 3.86Å
284H98.1Very high93.7Very high87 Ų8747.8 Ų47.840%0.40329%0.287SS..Hα-helixtrans-61.4-50.8174.6-173.780.4000112.4S280 E281 I282 S286 L287 T288 I361S280-H284 WeakPolarHBondContact O-CB 3.44Å; S280-H284 PolarHBondContact O-N 2.84Å; E281-H284 WeakPolarHBondContact O-CB 3.35Å; E281-H284 PolarHBondContact O-N 3.13Å; I282-H284 VanDerWaalsContact C-N 3.3Å; I282-H284 PolarHBondContact O-N 3.18Å; H284-S286 VanDerWaalsContact C-N 3.3Å; H284-S286 PolarHBondContact O-N 2.74Å; H284-L287 PolarHBondContact O-N 2.9Å; H284-T288 WeakPolarHBondContact O-CB 3.25Å; H284-T288 WeakPolarHBondContact O-CG2 3.35Å; H284-T288 PolarHBondContact O-N 3.02Å; H284-T288 PolarHBondContact O-OG1 2.75Å; H284-I361 VanDerWaalsContact CA-CD1 3.43Å; H284-I361 HydrophobicContact CB-CD1 3.59Å
285S97.7Very high94.9Very high26 Ų2652.3 Ų52.318%0.18229%0.29CS..Hα-helixtrans-66.2-32.7178.1-174.80000112.2R271 E281 I282 T288 D289 G290R271-S285 PolarHBondContact NH1-OG 3.5Å; R271-S285 PolarHBondContact NH2-O 3.2Å; E281-S285 PolarHBondContact O-N 3.23Å; I282-S285 PolarHBondContact O-N 3.2Å; S285-T288 WeakPolarHBondContact CA-OG1 3.3Å; S285-D289 PolarHBondContact O-N 3.42Å; S285-D289 PolarHBondContact OG-OD2 3.36Å; S285-G290 PolarHBondContact O-N 3.29Å
286S98.5Very high95.9Very high2 Ų252.5 Ų52.51%0.01428%0.284CS..Hα-helixtrans-59.8-46.5173.4-60.40000112S268 R271 I282 V283 H284 G290 F291S268-S286 WeakPolarHBondContact OG-CB 3.43Å; R271-S286 WeakPolarHBondContact CD-OG 3.42Å; I282-S286 WeakPolarHBondContact O-CB 3.36Å; I282-S286 PolarHBondContact O-N 2.87Å; I282-S286 PolarHBondContact O-OG 3.06Å; V283-S286 WeakPolarHBondContact O-CB 3.38Å; V283-S286 PolarHBondContact O-N 3.39Å; H284-S286 VanDerWaalsContact C-N 3.3Å; H284-S286 PolarHBondContact O-N 2.74Å; S286-G290 CarbonylContact O-C 3.47Å; S286-G290 WeakPolarHBondContact O-CA 3.3Å; S286-G290 PolarHBondContact O-N 3.27Å; S286-F291 PolarHBondContact O-N 3.45Å
287L98.6Very high97Very high1 Ų146.5 Ų46.51%0.00524%0.242CC..Hα-helixtrans-78.7-32179.5-69.3169.7000113.3V283 H284 F291 L292 A305 V307 G327 T359 I361V283-L287 HydrophobicContact CG1-CD1 4.27Å; V283-L287 PolarHBondContact O-N 2.93Å; V283-L287 VanDerWaalsContact O-N 3.1Å; H284-L287 PolarHBondContact O-N 2.9Å; L287-F291 WeakPolarHBondContact O-CB 3.3Å; L287-L292 WeakPolarHBondContact O-CB 3.4Å; L287-L292 VanDerWaalsContact O-CG 3.23Å; L287-L292 WeakPolarHBondContact O-CG 3.2Å; L287-L292 PolarHBondContact O-N 3.22Å; L287-A305 HydrophobicContact CD2-CB 4.27Å; L287-V307 HydrophobicContact CD1-CG2 4.4Å; L287-V307 HydrophobicContact CD2-CG1 4.32Å; L287-V307 HydrophobicContact CD2-CG2 4.26Å; L287-V307 HydrophobicContact CG-CG2 4.3Å; L287-G327 VanDerWaalsContact CD1-C 3.49Å; L287-T359 HydrophobicContact CB-CG2 3.81Å; L287-T359 HydrophobicContact CD1-CG2 4.16Å; L287-I361 HydrophobicContact CD1-CD1 4.46Å; L287-I361 HydrophobicContact CD1-CG1 4.14Å
288T97.9Very high97.4Very high16 Ų1647 Ų4710%0.09825%0.253CS..Iπ-helixtrans-84.4-79.5-179.952.90000110.9H284 S285 G290 F291 L292 N293H284-T288 WeakPolarHBondContact O-CB 3.25Å; H284-T288 WeakPolarHBondContact O-CG2 3.35Å; H284-T288 PolarHBondContact O-N 3.02Å; H284-T288 PolarHBondContact O-OG1 2.75Å; S285-T288 WeakPolarHBondContact CA-OG1 3.3Å; T288-G290 PolarHBondContact O-N 3.41Å; T288-F291 CarbonylContact O-C 3.21Å; T288-F291 PolarHBondContact O-N 2.88Å; T288-L292 PolarHBondContact O-N 3.27Å; T288-N293 PolarHBondContact O-N 3.49Å
289D97.6Very high97.4Very high93 Ų9350.1 Ų50.150%0.49727%0.274SS..Iπ-helixtrans-65-40.3-177-51.5-43.8000112.3S285 F291S285-D289 PolarHBondContact O-N 3.42Å; S285-D289 PolarHBondContact OG-OD2 3.36Å; D289-F291 VanDerWaalsContact C-N 3.32Å; D289-F291 PolarHBondContact O-N 3.08Å
290G98Very high97.4Very high13 Ų1351.6 Ų51.613%0.13428%0.282CS..Iπ-helixtrans-70.5-25.3-179.300000114S285 S286 T288S285-G290 PolarHBondContact O-N 3.29Å; S286-G290 CarbonylContact O-C 3.47Å; S286-G290 WeakPolarHBondContact O-CA 3.3Å; S286-G290 PolarHBondContact O-N 3.27Å; T288-G290 PolarHBondContact O-N 3.41Å
291F98.6Very high97Very high0 Ų057.9 Ų57.90%031%0.307CS..Iπ-helixtrans-133.5-71.2-172-168.5-98000113.8Q258 L259 T262 L264 S286 L287 T288 D289 N293 S294 L297 K303 F304 A305Q258-F291 HydrophobicContact CB-CE2 3.76Å; Q258-F291 HydrophobicContact CB-CZ 3.68Å; L259-F291 HydrophobicContact CD2-CD2 4.44Å; L259-F291 HydrophobicContact CD2-CE2 3.88Å; L259-F291 HydrophobicContact CD2-CZ 4.47Å; T262-F291 HydrophobicContact CG2-CD2 3.83Å; T262-F291 HydrophobicContact CG2-CE2 4.29Å; L264-F291 HydrophobicContact CD1-CB 4.09Å; L264-F291 HydrophobicContact CD1-CD2 4.43Å; L264-F291 HydrophobicContact CD2-CD2 3.97Å; L264-F291 HydrophobicContact CD2-CG 4.34Å; S286-F291 PolarHBondContact O-N 3.45Å; L287-F291 WeakPolarHBondContact O-CB 3.3Å; T288-F291 CarbonylContact O-C 3.21Å; T288-F291 PolarHBondContact O-N 2.88Å; D289-F291 VanDerWaalsContact C-N 3.32Å; D289-F291 PolarHBondContact O-N 3.08Å; F291-N293 VanDerWaalsContact C-N 3.32Å; F291-N293 PolarHBondContact O-N 3.06Å; F291-S294 WeakPolarHBondContact O-CB 3.45Å; F291-S294 PolarHBondContact O-N 2.85Å; F291-L297 HydrophobicContact CD1-CD1 4.4Å; F291-L297 HydrophobicContact CD2-CD1 3.91Å; F291-L297 HydrophobicContact CE1-CD1 4.19Å; F291-L297 HydrophobicContact CE2-CD1 3.66Å; F291-L297 HydrophobicContact CG-CD1 4.27Å; F291-L297 HydrophobicContact CZ-CD1 3.81Å; F291-K303 HydrophobicContact CD1-CB 4.4Å; F291-K303 HydrophobicContact CE1-CB 3.79Å; F291-F304 WeakPolarHBondContact CZ-O 3.48Å; F291-A305 HydrophobicContact CD1-CB 3.51Å; F291-A305 HydrophobicContact CD2-CB 3.96Å; F291-A305 HydrophobicContact CE1-CB 3.33Å; F291-A305 HydrophobicContact CE2-CB 3.81Å; F291-A305 HydrophobicContact CG-CB 3.82Å; F291-A305 HydrophobicContact CZ-CB 3.51Å
292L98.3Very high96.8Very high28 Ų2857.5 Ų57.515%0.14731%0.305CS..Iπ-helixtrans-58.8-40.8-173.7-70.4175.2000113.1L287 T288 K303 P358 T359L287-L292 WeakPolarHBondContact O-CB 3.4Å; L287-L292 VanDerWaalsContact O-CG 3.23Å; L287-L292 WeakPolarHBondContact O-CG 3.2Å; L287-L292 PolarHBondContact O-N 3.22Å; T288-L292 PolarHBondContact O-N 3.27Å; L292-K303 HydrophobicContact CD2-CB 3.77Å; L292-K303 HydrophobicContact CD2-CD 4.45Å; L292-K303 WeakPolarHBondContact O-CD 3.29Å; L292-K303 WeakPolarHBondContact O-CE 3.5Å; L292-K303 PolarHBondContact O-NZ 3.02Å; L292-P358 HydrophobicContact CD1-CB 4.03Å; L292-T359 HydrophobicContact CD1-CG2 3.68Å
293N97.9Very high96.7Very high119 Ų11959.1 Ų59.164%0.63631%0.312SS*.THydrogen-bonded Turntrans-98.610179.4-61.9-29.5000112.7T288 F291 K295T288-N293 PolarHBondContact O-N 3.49Å; F291-N293 VanDerWaalsContact C-N 3.32Å; F291-N293 PolarHBondContact O-N 3.06Å; N293-K295 PolarHBondContact O-N 3.02Å
294S98Very high96.6Very high10 Ų1061 Ų617%0.0732%0.32CS..  trans-64.9131.3-177.1-172.70000111.7F291 Y296 L297F291-S294 WeakPolarHBondContact O-CB 3.45Å; F291-S294 PolarHBondContact O-N 2.85Å; S294-Y296 PolarHBondContact O-N 3.39Å; S294-Y296 VanDerWaalsContact O-N 3.11Å; S294-Y296 WeakPolarHBondContact OG-CD2 3.24Å; S294-L297 PolarHBondContact O-N 3.34Å
295K97.8Very high96.5Very high156 Ų15656.9 Ų56.968%0.67830%0.301SS*.G310 helixtrans-56.6-28.4176.767.4179.8-179.9-178.60113.3N293 L297 S298N293-K295 PolarHBondContact O-N 3.02Å; K295-L297 PolarHBondContact O-N 3Å; K295-S298 WeakPolarHBondContact O-CB 3.31Å; K295-S298 PolarHBondContact O-N 2.84Å; K295-S298 PolarHBondContact O-OG 3.43Å
296Y98.1Very high96.6Very high98 Ų9855.6 Ų55.638%0.38429%0.292SS..G310 helixtrans-71.7-16.7179.4-56.1-75.6000113.3R261 S294R261-Y296 PolarHBondContact NH1-O 2.89Å; S294-Y296 PolarHBondContact O-N 3.39Å; S294-Y296 VanDerWaalsContact O-N 3.11Å; S294-Y296 WeakPolarHBondContact OG-CD2 3.24Å
297L98Very high96.6Very high0 Ų055.6 Ų55.60%029%0.292CS..G310 helixtrans-11321.6178.7-52.4-170.6000111.7Q258 R261 T262 F291 S294 K295 C299 D300 K303Q258-L297 HydrophobicContact CB-CD1 3.94Å; Q258-L297 HydrophobicContact CB-CD2 3.87Å; Q258-L297 HydrophobicContact CG-CD1 4.28Å; Q258-L297 HydrophobicContact CG-CD2 3.94Å; R261-L297 HydrophobicContact CB-CD2 4.22Å; R261-L297 VanDerWaalsContact CZ-CD2 3.49Å; T262-L297 HydrophobicContact CG2-CD1 3.81Å; T262-L297 HydrophobicContact CG2-CD2 4.18Å; T262-L297 HydrophobicContact CG2-CG 3.82Å; F291-L297 HydrophobicContact CD1-CD1 4.4Å; F291-L297 HydrophobicContact CD2-CD1 3.91Å; F291-L297 HydrophobicContact CE1-CD1 4.19Å; F291-L297 HydrophobicContact CE2-CD1 3.66Å; F291-L297 HydrophobicContact CG-CD1 4.27Å; F291-L297 HydrophobicContact CZ-CD1 3.81Å; S294-L297 PolarHBondContact O-N 3.34Å; K295-L297 PolarHBondContact O-N 3Å; L297-C299 PolarHBondContact O-N 2.93Å; L297-D300 WeakPolarHBondContact CA-OD2 3.46Å; L297-D300 HydrophobicContact CB-CB 4.3Å; L297-D300 PolarHBondContact O-N 3.18Å; L297-D300 VanDerWaalsContact O-N 3.13Å; L297-K303 HydrophobicContact CB-CD 4.05Å; L297-K303 HydrophobicContact CB-CG 4.48Å; L297-K303 HydrophobicContact CD1-CD 4.24Å; L297-K303 HydrophobicContact CD1-CG 4.29Å; L297-K303 WeakPolarHBondContact O-CE 3.32Å; L297-K303 PolarHBondContact O-NZ 3.16Å; L297-K303 VanDerWaalsContact O-NZ 3.08Å
298S96.2Very high96.6Very high94 Ų9455.5 Ų55.566%0.65729%0.291SS*.THydrogen-bonded Turntrans-61.2-30.1-178.346.60000113.4K295K295-S298 WeakPolarHBondContact O-CB 3.31Å; K295-S298 PolarHBondContact O-N 2.84Å; K295-S298 PolarHBondContact O-OG 3.43Å
299C94Very high96.6Very high121 Ų12154.8 Ų54.882%0.81829%0.287SS*.THydrogen-bonded Turntrans-90.1-3.5177.5-57.70000114.1L297L297-C299 PolarHBondContact O-N 2.93Å
300D93.9Very high96.7Very high35 Ų3550.3 Ų50.319%0.18726%0.263CS..  trans-91.6118.5-178.3-67.2-107.7000110.9Q258 R261 L297 K303Q258-D300 PolarHBondContact NE2-OD1 3.01Å; R261-D300 IonicContact CZ-OD1 3.29Å; R261-D300 IonicContact CZ-OD2 3.89Å; R261-D300 VanDerWaalsContact CZ-OD2 3.23Å; R261-D300 IonicContact NH1-OD2 3.74Å; R261-D300 PolarHBondContact NH1-OD2 2.71Å; R261-D300 IonicContact NH2-OD1 3.86Å; R261-D300 PolarHBondContact NH2-OD1 2.96Å; R261-D300 IonicContact NH2-OD2 2.83Å; R261-D300 PolarHBondContact NH2-OD2 3.5Å; L297-D300 WeakPolarHBondContact CA-OD2 3.46Å; L297-D300 HydrophobicContact CB-CB 4.3Å; L297-D300 PolarHBondContact O-N 3.18Å; L297-D300 VanDerWaalsContact O-N 3.13Å; D300-K303 HydrophobicContact CB-CG 4.12Å; D300-K303 WeakPolarHBondContact O-CE 3.49Å
301M88.2Confident96.6Very high189 Ų18951 Ų5193%0.93126%0.261SS*.SBendtrans-72.8-41.3179.3-68.1-62-62.700113.1
302E91.1Very high96.3Very high105 Ų10551 Ų5149%0.49126%0.261SS..SBendtrans-116.4128.1177.5-65.3-171.9112.100109.6Q258 F304Q258-E302 PolarHBondContact NE2-O 3.34Å; E302-F304 HydrophobicContact CB-CD2 4.47Å; E302-F304 HydrophobicContact CB-CE2 3.61Å; E302-F304 HydrophobicContact CB-CZ 3.73Å; E302-F304 HydrophobicContact CG-CZ 4.34Å
303K95.4Very high95.9Very high46 Ų4651.1 Ų51.120%0.226%0.262CS..  trans-122.8116.5-173.1-63.5173.4-168.9175.20110F291 L292 L297 D300 S329F291-K303 HydrophobicContact CD1-CB 4.4Å; F291-K303 HydrophobicContact CE1-CB 3.79Å; L292-K303 HydrophobicContact CD2-CB 3.77Å; L292-K303 HydrophobicContact CD2-CD 4.45Å; L292-K303 WeakPolarHBondContact O-CD 3.29Å; L292-K303 WeakPolarHBondContact O-CE 3.5Å; L292-K303 PolarHBondContact O-NZ 3.02Å; L297-K303 HydrophobicContact CB-CD 4.05Å; L297-K303 HydrophobicContact CB-CG 4.48Å; L297-K303 HydrophobicContact CD1-CD 4.24Å; L297-K303 HydrophobicContact CD1-CG 4.29Å; L297-K303 WeakPolarHBondContact O-CE 3.32Å; L297-K303 PolarHBondContact O-NZ 3.16Å; L297-K303 VanDerWaalsContact O-NZ 3.08Å; D300-K303 HydrophobicContact CB-CG 4.12Å; D300-K303 WeakPolarHBondContact O-CE 3.49Å; K303-S329 PolarHBondContact O-OG 3.32Å
304F96Very high95.2Very high42 Ų4248.6 Ų48.618%0.18425%0.246CC..  trans-121112.2-173.1-59.9-61.9000111.1F196 G254 T255 F291 E302 S329 T330F196-F304 HydrophobicContact CD2-CB 4.37Å; F196-F304 HydrophobicContact CD2-CD2 4.47Å; F196-F304 HydrophobicContact CD2-CG 4.44Å; F196-F304 HydrophobicContact CE2-CB 4Å; F196-F304 AromaticContact CE2-CD2 3.4Å; F196-F304 HydrophobicContact CE2-CD2 3.4Å; F196-F304 AromaticContact CE2-CE2 3.95Å; F196-F304 HydrophobicContact CE2-CE2 3.95Å; F196-F304 AromaticContact CE2-CG 3.73Å; F196-F304 HydrophobicContact CE2-CG 3.73Å; F196-F304 AromaticContact CZ-CD2 3.72Å; F196-F304 HydrophobicContact CZ-CD2 3.72Å; F196-F304 HydrophobicContact CZ-CE2 4.26Å; F196-F304 HydrophobicContact CZ-CG 4.42Å; G254-F304 WeakPolarHBondContact CA-O 3.42Å; T255-F304 PolarHBondContact N-O 2.93Å; F291-F304 WeakPolarHBondContact CZ-O 3.48Å; E302-F304 HydrophobicContact CB-CD2 4.47Å; E302-F304 HydrophobicContact CB-CE2 3.61Å; E302-F304 HydrophobicContact CB-CZ 3.73Å; E302-F304 HydrophobicContact CG-CZ 4.34Å; F304-S329 WeakPolarHBondContact CA-OG 3.25Å; F304-T330 HydrophobicContact CB-CG2 3.9Å; F304-T330 HydrophobicContact CD1-CG2 4.13Å; F304-T330 HydrophobicContact CG-CG2 4.45Å
305A97.8Very high94.3Very high0 Ų053.4 Ų53.40%027%0.267CS..EExtended strand (participates in β ladder)trans-138.6152.1172.200000111.1S253 L259 L264 L287 F291 H328 S329S253-A305 CarbonylContact O-C 3.57Å; S253-A305 WeakPolarHBondContact O-CA 3.39Å; L259-A305 HydrophobicContact CD2-CB 3.88Å; L264-A305 HydrophobicContact CD2-CB 3.6Å; L287-A305 HydrophobicContact CD2-CB 4.27Å; F291-A305 HydrophobicContact CD1-CB 3.51Å; F291-A305 HydrophobicContact CD2-CB 3.96Å; F291-A305 HydrophobicContact CE1-CB 3.33Å; F291-A305 HydrophobicContact CE2-CB 3.81Å; F291-A305 HydrophobicContact CG-CB 3.82Å; F291-A305 HydrophobicContact CZ-CB 3.51Å; A305-H328 CarbonylContact O-C 3.47Å; A305-H328 WeakPolarHBondContact O-CA 3.5Å; A305-H328 WeakPolarHBondContact O-CB 3.24Å; A305-S329 PolarHBondContact N-OG 3.01Å; A305-S329 PolarHBondContact O-N 2.96Å; A305-S329 PolarHBondContact O-OG 3.22Å
306G98.2Very high92.8Very high0 Ų052.1 Ų52.10%026%0.258CS..EExtended strand (participates in β ladder)trans-136.3143.2162.900000108.8T252 S253 G327T252-G306 VanDerWaalsContact CA-O 3.26Å; T252-G306 WeakPolarHBondContact CA-O 3.27Å; S253-G306 PolarHBondContact N-O 3.3Å; S253-G306 PolarHBondContact O-N 2.99Å; G306-G327 CarbonylContact C-O 3.59Å; G306-G327 WeakPolarHBondContact CA-O 3.33Å
307V98.7Very high91Very high1 Ų154.3 Ų54.31%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-122.7137.3172.8-62.60000108V250 V251 T252 L264 V283 L287 F326 G327V250-V307 HydrophobicContact CG1-CB 4.48Å; V251-V307 WeakPolarHBondContact O-CA 3.45Å; T252-V307 HydrophobicContact CG2-CG1 4.37Å; L264-V307 HydrophobicContact CD2-CG1 3.77Å; L264-V307 HydrophobicContact CG-CG1 4.01Å; V283-V307 HydrophobicContact CG1-CG2 3.97Å; L287-V307 HydrophobicContact CD1-CG2 4.4Å; L287-V307 HydrophobicContact CD2-CG1 4.32Å; L287-V307 HydrophobicContact CD2-CG2 4.26Å; L287-V307 HydrophobicContact CG-CG2 4.3Å; V307-F326 WeakPolarHBondContact O-CA 3.28Å; V307-G327 PolarHBondContact N-O 3.49Å; V307-G327 PolarHBondContact O-N 3Å
308A98.8Very high89.2Confident0 Ų061.3 Ų61.30%031%0.313CS..EExtended strand (participates in β ladder)trans-135.2142.417000000108.1V5 H7 V251 F325 F326 M333V5-A308 HydrophobicContact CG1-CB 4.19Å; H7-A308 HydrophobicContact CB-CB 4.41Å; V251-A308 HydrophobicContact CG2-CB 4Å; V251-A308 WeakPolarHBondContact CG2-O 3.29Å; V251-A308 PolarHBondContact N-O 3.08Å; V251-A308 PolarHBondContact O-N 3.24Å; A308-F325 WeakPolarHBondContact CA-O 3.45Å; A308-F326 HydrophobicContact CB-CD1 3.53Å; A308-F326 HydrophobicContact CB-CE1 3.86Å; A308-M333 HydrophobicContact CB-CE 3.81Å
309G98.7Very high87.5Confident0 Ų062 Ų620%030%0.304CS..EExtended strand (participates in β ladder)trans-178.4-175.9-177.200000114.3G249 F325G249-G309 CarbonylContact O-C 3.55Å; G249-G309 WeakPolarHBondContact O-CA 3.2Å; G309-F325 VanDerWaalsContact C-CE1 3.49Å; G309-F325 PolarHBondContact N-O 3.01Å; G309-F325 PolarHBondContact O-N 3.17Å
310V98.3Very high86Confident0 Ų058.3 Ų58.30%028%0.279CS..EExtended strand (participates in β ladder)trans-139.6135.2176.654.60000109.4V5 V202 I204 I210 I248 G249 V322 E323 V324V5-V310 HydrophobicContact CG2-CB 3.98Å; V5-V310 HydrophobicContact CG2-CG1 4.3Å; V202-V310 HydrophobicContact CB-CG1 4.3Å; V202-V310 HydrophobicContact CG1-CG1 3.56Å; I204-V310 HydrophobicContact CD1-CB 4.46Å; I204-V310 HydrophobicContact CD1-CG1 3.8Å; I204-V310 HydrophobicContact CD1-CG2 3.78Å; I204-V310 HydrophobicContact CG1-CG1 4.02Å; I210-V310 HydrophobicContact CD1-CG1 4.22Å; I248-V310 WeakPolarHBondContact CD1-O 3.49Å; G249-V310 PolarHBondContact N-O 3.49Å; G249-V310 PolarHBondContact O-N 2.9Å; G249-V310 VanDerWaalsContact O-N 3.1Å; V310-V322 HydrophobicContact CG2-CG1 3.51Å; V310-E323 WeakPolarHBondContact CA-O 3.39Å; V310-V324 HydrophobicContact CB-CG2 4.45Å; V310-V324 HydrophobicContact CG2-CG2 4.31Å
311Y95.9Very high85.4Confident26 Ų2657.2 Ų57.210%0.10227%0.273CS..EExtended strand (participates in β ladder)trans-108.4125.5164.9176.5-119.2000108L242 S247 I248 F272 V279 N313 E323L242-Y311 HydrophobicContact CD1-CD2 4.34Å; L242-Y311 HydrophobicContact CD1-CE2 3.84Å; S247-Y311 WeakPolarHBondContact O-CA 3.45Å; I248-Y311 HydrophobicContact CB-CD2 4.46Å; I248-Y311 HydrophobicContact CD1-CD2 4.42Å; F272-Y311 HydrophobicContact CB-CD2 4.29Å; F272-Y311 HydrophobicContact CB-CE2 4.25Å; F272-Y311 HydrophobicContact CD1-CD1 4.06Å; F272-Y311 AromaticContact CD1-CD2 3.54Å; F272-Y311 HydrophobicContact CD1-CD2 3.54Å; F272-Y311 HydrophobicContact CD1-CE2 4.04Å; F272-Y311 AromaticContact CD1-CG 3.54Å; F272-Y311 HydrophobicContact CD1-CG 3.54Å; F272-Y311 HydrophobicContact CE1-CD1 4.27Å; F272-Y311 HydrophobicContact CE1-CD2 4.2Å; F272-Y311 AromaticContact CE1-CG 3.78Å; F272-Y311 HydrophobicContact CE1-CG 3.78Å; F272-Y311 HydrophobicContact CG-CD2 4.21Å; V279-Y311 HydrophobicContact CG2-CD1 3.93Å; Y311-N313 HydrophobicContact CE1-CB 3.86Å; Y311-N313 PolarHBondContact OH-ND2 3.19Å; Y311-E323 PolarHBondContact N-O 3.02Å; Y311-E323 PolarHBondContact O-N 3.11Å
312A93.6Very high85.7Confident0 Ų048.2 Ų48.20%023%0.229CC..EExtended strand (participates in β ladder)trans-115.7136.5172.400000109.3I204 S246 S247 F314 N321 V322I204-A312 HydrophobicContact CD1-CB 3.59Å; S246-A312 CarbonylContact C-O 3.55Å; S246-A312 WeakPolarHBondContact CA-O 3.39Å; S246-A312 WeakPolarHBondContact CB-O 3.4Å; S247-A312 PolarHBondContact N-O 3.01Å; S247-A312 PolarHBondContact O-N 2.97Å; A312-F314 HydrophobicContact CB-CE2 3.81Å; A312-F314 HydrophobicContact CB-CZ 4.04Å; A312-N321 CarbonylContact C-O 3.55Å; A312-N321 VanDerWaalsContact CA-O 3.28Å; A312-N321 WeakPolarHBondContact CA-O 3.29Å; A312-V322 HydrophobicContact CB-CG2 3.8Å
313N90.4Very high85.9Confident31 Ų3145.1 Ų45.117%0.16621%0.214CC..EExtended strand (participates in β ladder)trans-143.2110.7174.9-173.7-22.3000109.4F245 Y311 E315 N321F245-N313 WeakPolarHBondContact O-CA 3.49Å; Y311-N313 HydrophobicContact CE1-CB 3.86Å; Y311-N313 PolarHBondContact OH-ND2 3.19Å; N313-E315 WeakPolarHBondContact OD1-CB 3.41Å; N313-E315 WeakPolarHBondContact OD1-CG 3.42Å; N313-E315 PolarHBondContact OD1-N 2.85Å; N313-N321 PolarHBondContact N-O 3.02Å; N313-N321 WeakPolarHBondContact O-CA 3.5Å; N313-N321 PolarHBondContact O-OD1 3.18Å
314F82.7Confident86.1Confident66 Ų6642.9 Ų42.929%0.28920%0.204SC..  trans-101.310.4-177.7-56.6-75.2000113.1F245 A312 R316 N321 V322 I368F245-F314 WeakPolarHBondContact O-CD2 3.28Å; F245-F314 PolarHBondContact O-N 2.89Å; A312-F314 HydrophobicContact CB-CE2 3.81Å; A312-F314 HydrophobicContact CB-CZ 4.04Å; F314-R316 VanDerWaalsContact C-N 3.25Å; F314-R316 PolarHBondContact O-N 3.05Å; F314-N321 HydrophobicContact CD1-CB 3.87Å; F314-N321 HydrophobicContact CE1-CB 4.02Å; F314-V322 HydrophobicContact CE1-CG2 4.22Å; F314-V322 HydrophobicContact CZ-CG2 4.01Å; F314-I368 HydrophobicContact CE1-CD1 3.86Å
315E78.7Confident86.2Confident111 Ų11141 Ų4152%0.51920%0.196SC..SBendtrans-69.1-24.8178.4-65.9-171.4154.500112.8F245 N313F245-E315 HydrophobicContact CB-CB 4.38Å; F245-E315 HydrophobicContact CB-CG 3.3Å; F245-E315 HydrophobicContact CD2-CG 3.69Å; F245-E315 HydrophobicContact CG-CG 3.72Å; N313-E315 WeakPolarHBondContact OD1-CB 3.41Å; N313-E315 WeakPolarHBondContact OD1-CG 3.42Å; N313-E315 PolarHBondContact OD1-N 2.85Å
316R66.6Low86.2Confident129 Ų12941 Ų4149%0.48720%0.196SC..  trans-120.8100.4-172.9-60.1-169.1-169.9-175.54.7111.2F314 D318 F319 N321F314-R316 VanDerWaalsContact C-N 3.25Å; F314-R316 PolarHBondContact O-N 3.05Å; R316-D318 PolarHBondContact O-N 2.9Å; R316-F319 HydrophobicContact CB-CB 3.95Å; R316-F319 HydrophobicContact CB-CD2 3.6Å; R316-F319 HydrophobicContact CB-CE2 4.47Å; R316-F319 HydrophobicContact CB-CG 4.08Å; R316-F319 VanDerWaalsContact CD-CD2 3.48Å; R316-F319 HydrophobicContact CG-CD2 4.19Å; R316-F319 PolarHBondContact O-N 2.88Å; R316-F319 VanDerWaalsContact O-N 3.14Å; R316-N321 PolarHBondContact O-OD1 2.93Å; R316-N321 VanDerWaalsContact O-OD1 3.05Å
317I59.5Low86.2Confident145 Ų14541 Ų4174%0.74420%0.196SC*.THydrogen-bonded Turntrans-51.7-32.9-179.8-60.5169.8000112.4
318D61Low86.2Confident147 Ų14741 Ų4179%0.78620%0.196SC*.THydrogen-bonded Turntrans-95.47.2-174.3-58.5-42000115.5R316R316-D318 PolarHBondContact O-N 2.9Å
319F60.1Low86.1Confident107 Ų10741.5 Ų41.547%0.46920%0.199SC..SBendtrans-114.4162.7-177.3-77.8-99.8000111.7R316 N321R316-F319 HydrophobicContact CB-CB 3.95Å; R316-F319 HydrophobicContact CB-CD2 3.6Å; R316-F319 HydrophobicContact CB-CE2 4.47Å; R316-F319 HydrophobicContact CB-CG 4.08Å; R316-F319 VanDerWaalsContact CD-CD2 3.48Å; R316-F319 HydrophobicContact CG-CD2 4.19Å; R316-F319 PolarHBondContact O-N 2.88Å; R316-F319 VanDerWaalsContact O-N 3.14Å; F319-N321 PolarHBondContact O-N 3.46Å; F319-N321 PolarHBondContact O-OD1 2.85Å
320P62.2Low86Confident45 Ų4541.5 Ų41.529%0.29220%0.2SC..  trans-57115.5168.823.9-32.4000109.6E323 A365 Y366 T367P320-E323 HydrophobicContact CB-CG 4.46Å; P320-A365 HydrophobicContact CB-CB 3.79Å; P320-A365 HydrophobicContact CG-CB 4.25Å; P320-Y366 CarbonylContact C-O 3.57Å; P320-T367 WeakPolarHBondContact CA-OG1 3.34Å
321N82.5Confident85.8Confident12 Ų1247.6 Ų47.66%0.06422%0.222CC..SBendtrans-84.8-18.8-173.2-68.4-45.7000111.9A312 N313 F314 R316 F319 Y366 I368A312-N321 CarbonylContact C-O 3.55Å; A312-N321 VanDerWaalsContact CA-O 3.28Å; A312-N321 WeakPolarHBondContact CA-O 3.29Å; N313-N321 PolarHBondContact N-O 3.02Å; N313-N321 WeakPolarHBondContact O-CA 3.5Å; N313-N321 PolarHBondContact O-OD1 3.18Å; F314-N321 HydrophobicContact CD1-CB 3.87Å; F314-N321 HydrophobicContact CE1-CB 4.02Å; R316-N321 PolarHBondContact O-OD1 2.93Å; R316-N321 VanDerWaalsContact O-OD1 3.05Å; F319-N321 PolarHBondContact O-N 3.46Å; F319-N321 PolarHBondContact O-OD1 2.85Å; N321-Y366 PolarHBondContact N-O 3.48Å; N321-I368 HydrophobicContact CB-CD1 3.8Å; N321-I368 HydrophobicContact CB-CG1 4.3Å
322V93.5Very high85.8Confident0 Ų046.3 Ų46.30%022%0.217CC..EExtended strand (participates in β ladder)trans-140.1124.3177.1174.50000111.2M1 C3 V310 A312 F314 L339 Y366 I368M1-V322 HydrophobicContact CE-CB 3.93Å; M1-V322 HydrophobicContact CE-CG1 4.24Å; M1-V322 HydrophobicContact CE-CG2 3.26Å; C3-V322 HydrophobicContact CB-CG1 4.49Å; V310-V322 HydrophobicContact CG2-CG1 3.51Å; A312-V322 HydrophobicContact CB-CG2 3.8Å; F314-V322 HydrophobicContact CE1-CG2 4.22Å; F314-V322 HydrophobicContact CZ-CG2 4.01Å; V322-L339 HydrophobicContact CB-CD2 4.38Å; V322-L339 HydrophobicContact CG1-CD2 4.09Å; V322-Y366 PolarHBondContact N-O 3.12Å; V322-Y366 PolarHBondContact O-N 3.04Å; V322-I368 HydrophobicContact CG2-CD1 4.15Å
323E95.5Very high86Confident39 Ų3946.3 Ų46.318%0.18222%0.217CC..EExtended strand (participates in β ladder)trans-119.1112.8177.7-66.7-175.7-105.100109.9V279 V310 Y311 P320 V363 Y364 A365V279-E323 HydrophobicContact CB-CB 4.47Å; V279-E323 WeakPolarHBondContact CB-OE2 3.39Å; V279-E323 HydrophobicContact CG1-CB 4.44Å; V279-E323 HydrophobicContact CG2-CB 3.99Å; V279-E323 HydrophobicContact CG2-CG 4.27Å; V279-E323 VanDerWaalsContact CG2-OE1 3.29Å; V279-E323 WeakPolarHBondContact CG2-OE1 3.27Å; V279-E323 VanDerWaalsContact CG2-OE2 3.27Å; V279-E323 WeakPolarHBondContact CG2-OE2 3.46Å; V310-E323 WeakPolarHBondContact CA-O 3.39Å; Y311-E323 PolarHBondContact N-O 3.02Å; Y311-E323 PolarHBondContact O-N 3.11Å; P320-E323 HydrophobicContact CB-CG 4.46Å; E323-V363 HydrophobicContact CB-CG1 4.32Å; E323-Y364 WeakPolarHBondContact CA-O 3.43Å; E323-A365 HydrophobicContact CG-CB 4.03Å
324V98.3Very high86.4Confident0 Ų044.9 Ų44.90%021%0.21CC..EExtended strand (participates in β ladder)trans-89.1134.3172.7173.40000108.8V5 V310 F326 H337 L339 V363 Y364 Y366V5-V324 HydrophobicContact CG1-CG1 4.29Å; V5-V324 HydrophobicContact CG2-CB 4.36Å; V5-V324 HydrophobicContact CG2-CG1 3.68Å; V5-V324 HydrophobicContact CG2-CG2 3.87Å; V310-V324 HydrophobicContact CB-CG2 4.45Å; V310-V324 HydrophobicContact CG2-CG2 4.31Å; V324-F326 HydrophobicContact CG1-CD2 4.45Å; V324-F326 HydrophobicContact CG1-CE2 3.66Å; V324-F326 HydrophobicContact CG1-CZ 3.72Å; V324-H337 HydrophobicContact CG1-CB 3.76Å; V324-H337 HydrophobicContact CG2-CB 4.29Å; V324-L339 HydrophobicContact CG2-CD1 4.21Å; V324-V363 CarbonylContact O-C 3.54Å; V324-V363 WeakPolarHBondContact O-CA 3.01Å; V324-Y364 PolarHBondContact N-O 2.82Å; V324-Y364 PolarHBondContact O-N 3.07Å; V324-Y366 HydrophobicContact CG2-CE2 4.46Å
325F98.7Very high87.1Confident2 Ų241.7 Ų41.71%0.00920%0.196CC..EExtended strand (participates in β ladder)trans-131.5147.2-179.658.3-95.4000113.1I248 V250 F272 V279 V283 A308 G309 E362 V363I248-F325 HydrophobicContact CD1-CE1 3.83Å; I248-F325 HydrophobicContact CD1-CZ 3.9Å; V250-F325 HydrophobicContact CG2-CZ 4.09Å; F272-F325 HydrophobicContact CE1-CE1 4.41Å; F272-F325 HydrophobicContact CE2-CE1 4.5Å; F272-F325 HydrophobicContact CE2-CZ 4.42Å; F272-F325 HydrophobicContact CZ-CD1 4.34Å; F272-F325 AromaticContact CZ-CE1 3.81Å; F272-F325 HydrophobicContact CZ-CE1 3.81Å; F272-F325 HydrophobicContact CZ-CZ 4.13Å; V279-F325 HydrophobicContact CG1-CB 4.02Å; V279-F325 HydrophobicContact CG1-CD1 3.73Å; V279-F325 HydrophobicContact CG1-CG 4.14Å; V283-F325 HydrophobicContact CG2-CB 3.81Å; V283-F325 HydrophobicContact CG2-CD1 4.45Å; V283-F325 HydrophobicContact CG2-CD2 3.57Å; V283-F325 HydrophobicContact CG2-CE2 4.25Å; V283-F325 HydrophobicContact CG2-CG 3.69Å; A308-F325 WeakPolarHBondContact CA-O 3.45Å; G309-F325 VanDerWaalsContact C-CE1 3.49Å; G309-F325 PolarHBondContact N-O 3.01Å; G309-F325 PolarHBondContact O-N 3.17Å; F325-E362 WeakPolarHBondContact CA-O 3.28Å; F325-V363 HydrophobicContact CB-CG2 4.09Å
326F98.7Very high88.1Confident1 Ų136.5 Ų36.50%0.00417%0.172CC..EExtended strand (participates in β ladder)trans-135.1143.3169.7-51.6-77.7000109.4V5 V307 A308 V324 V335 H337 I361 E362 Y364V5-F326 HydrophobicContact CG1-CD1 4.42Å; V5-F326 HydrophobicContact CG1-CE1 3.43Å; V5-F326 VanDerWaalsContact CG1-CE1 3.43Å; V5-F326 HydrophobicContact CG1-CZ 3.81Å; V307-F326 WeakPolarHBondContact O-CA 3.28Å; A308-F326 HydrophobicContact CB-CD1 3.53Å; A308-F326 HydrophobicContact CB-CE1 3.86Å; V324-F326 HydrophobicContact CG1-CD2 4.45Å; V324-F326 HydrophobicContact CG1-CE2 3.66Å; V324-F326 HydrophobicContact CG1-CZ 3.72Å; F326-V335 HydrophobicContact CB-CG1 4.18Å; F326-V335 HydrophobicContact CD1-CB 3.61Å; F326-V335 HydrophobicContact CD1-CG1 3.41Å; F326-V335 VanDerWaalsContact CD1-CG1 3.41Å; F326-V335 HydrophobicContact CD1-CG2 4.36Å; F326-V335 HydrophobicContact CD2-CB 4.29Å; F326-V335 HydrophobicContact CD2-CG2 4.23Å; F326-V335 HydrophobicContact CE1-CB 3.58Å; F326-V335 HydrophobicContact CE1-CG1 3.86Å; F326-V335 HydrophobicContact CE1-CG2 4.48Å; F326-V335 HydrophobicContact CE2-CB 4.27Å; F326-V335 HydrophobicContact CE2-CG2 4.36Å; F326-V335 HydrophobicContact CG-CB 3.97Å; F326-V335 HydrophobicContact CG-CG1 3.83Å; F326-V335 HydrophobicContact CG-CG2 4.23Å; F326-V335 HydrophobicContact CZ-CB 3.93Å; F326-V335 HydrophobicContact CZ-CG2 4.48Å; F326-H337 AromaticContact CE2-ND1 3.7Å; F326-H337 HydrophobicContact CZ-CB 4.11Å; F326-H337 AromaticContact CZ-ND1 4Å; F326-I361 WeakPolarHBondContact O-CA 3.44Å; F326-E362 HydrophobicContact CB-CG 3.81Å; F326-E362 HydrophobicContact CD2-CG 3.92Å; F326-E362 WeakPolarHBondContact CD2-OE1 3.48Å; F326-E362 HydrophobicContact CG-CG 4.36Å; F326-E362 PolarHBondContact N-O 3.12Å; F326-E362 PolarHBondContact O-N 2.8Å; F326-Y364 HydrophobicContact CD2-CD2 4.35Å; F326-Y364 HydrophobicContact CD2-CE2 4.01Å; F326-Y364 HydrophobicContact CE2-CD2 4.22Å; F326-Y364 HydrophobicContact CE2-CE2 4.07Å
327G98.5Very high89.6Confident0 Ų030.4 Ų30.40%015%0.149CC..EExtended strand (participates in β ladder)trans-161.6149.7169.600000112.7L287 G306 V307 Y360L287-G327 VanDerWaalsContact CD1-C 3.49Å; G306-G327 CarbonylContact C-O 3.59Å; G306-G327 WeakPolarHBondContact CA-O 3.33Å; V307-G327 PolarHBondContact N-O 3.49Å; V307-G327 PolarHBondContact O-N 3Å; G327-Y360 CarbonylContact C-O 3.46Å; G327-Y360 WeakPolarHBondContact CA-O 3.19Å
328H98.2Very high91.5Very high0 Ų025.1 Ų25.10%012%0.12CC..EExtended strand (participates in β ladder)trans-156.3154.2-178.56492.4000113.9A305 T330 M333 S351 T359 Y360A305-H328 CarbonylContact O-C 3.47Å; A305-H328 WeakPolarHBondContact O-CA 3.5Å; A305-H328 WeakPolarHBondContact O-CB 3.24Å; H328-T330 PolarHBondContact CE1-O 3.08Å; H328-T330 VanDerWaalsContact CE1-O 3.26Å; H328-T330 PolarHBondContact ND1-N 3.07Å; H328-T330 PolarHBondContact ND1-O 3.2Å; H328-T330 PolarHBondContact ND1-OG1 3.49Å; H328-T330 VanDerWaalsContact ND1-OG1 3.11Å; H328-M333 HydrophobicContact CB-CB 4.32Å; H328-M333 HydrophobicContact CB-SD 4.07Å; H328-S351 PolarHBondContact CD2-OG 2.85Å; H328-S351 PolarHBondContact NE2-OG 3.01Å; H328-S351 VanDerWaalsContact NE2-OG 3.07Å; H328-T359 CarbonylContact O-C 3.56Å; H328-T359 VanDerWaalsContact O-CA 3.29Å; H328-T359 WeakPolarHBondContact O-CA 3.41Å; H328-Y360 PolarHBondContact N-O 3.04Å; H328-Y360 AromaticContact NE2-CD1 3.8Å; H328-Y360 AromaticContact NE2-CG 3.9Å; H328-Y360 PolarHBondContact O-N 3.11Å
329S97.1Very high93.2Very high10 Ų1018.1 Ų18.17%0.078%0.082CC..SBendtrans-94.9-4.5168.9700000113.2K303 F304 A305 K353K303-S329 PolarHBondContact O-OG 3.32Å; F304-S329 WeakPolarHBondContact CA-OG 3.25Å; A305-S329 PolarHBondContact N-OG 3.01Å; A305-S329 PolarHBondContact O-N 2.96Å; A305-S329 PolarHBondContact O-OG 3.22Å; S329-K353 WeakPolarHBondContact O-CE 3.45Å
330T95.5Very high95Very high1 Ų114.3 Ų14.31%0.0067%0.068CC..SBendtrans-79.9174.7-178.9680000112A10 G11 F304 H328 S332 K353A10-T330 HydrophobicContact CB-CG2 4.01Å; G11-T330 PolarHBondContact N-OG1 3Å; F304-T330 HydrophobicContact CB-CG2 3.9Å; F304-T330 HydrophobicContact CD1-CG2 4.13Å; F304-T330 HydrophobicContact CG-CG2 4.45Å; H328-T330 PolarHBondContact CE1-O 3.08Å; H328-T330 VanDerWaalsContact CE1-O 3.26Å; H328-T330 PolarHBondContact ND1-N 3.07Å; H328-T330 PolarHBondContact ND1-O 3.2Å; H328-T330 PolarHBondContact ND1-OG1 3.49Å; H328-T330 VanDerWaalsContact ND1-OG1 3.11Å; T330-S332 VanDerWaalsContact C-N 3.28Å; T330-S332 PolarHBondContact O-N 3.16Å; T330-S332 PolarHBondContact OG1-O 2.68Å; T330-S332 VanDerWaalsContact OG1-O 3.13Å; T330-K353 WeakPolarHBondContact O-CB 3.29Å; T330-K353 WeakPolarHBondContact O-CE 3.47Å
331R94.9Very high96.4Very high127 Ų12716.2 Ų16.248%0.4798%0.083SC..SBendtrans-65.5-34.6176.8-70-175.7173.7166.93.6112.2G11 Y12 S191 R352 K353G11-R331 WeakPolarHBondContact O-CB 3.23Å; G11-R331 PolarHBondContact O-N 3.35Å; Y12-R331 HydrophobicContact CD2-CB 4.42Å; S191-R331 PolarHBondContact OG-NH2 3.08Å; R331-R352 WeakPolarHBondContact O-CA 3.35Å; R331-K353 PolarHBondContact O-N 3.16Å
332S96.4Very high97Very high0 Ų019.3 Ų19.30%010%0.099CC..EExtended strand (participates in β ladder)trans-160.4154.2-179.3560000112.3G11 Y12 H13 T330 S351G11-S332 CarbonylContact C-O 3.55Å; G11-S332 PolarHBondContact N-O 3.34Å; G11-S332 PolarHBondContact O-N 3.17Å; G11-S332 PolarHBondContact O-OG 3.24Å; Y12-S332 VanDerWaalsContact CA-OG 3.29Å; Y12-S332 WeakPolarHBondContact CA-OG 3.43Å; H13-S332 PolarHBondContact N-OG 2.87Å; H13-S332 PolarHBondContact ND1-OG 2.99Å; T330-S332 VanDerWaalsContact C-N 3.28Å; T330-S332 PolarHBondContact O-N 3.16Å; T330-S332 PolarHBondContact OG1-O 2.68Å; T330-S332 VanDerWaalsContact OG1-O 3.13Å; S332-S351 CarbonylContact C-O 3.5Å; S332-S351 WeakPolarHBondContact CA-O 3.48Å; S332-S351 WeakPolarHBondContact CB-O 3.39Å
333M97.3Very high97.1Very high0 Ų020.6 Ų20.60%011%0.105CC..EExtended strand (participates in β ladder)trans-132.9133.8172.1-171.8175177.100109.3H7 G9 A10 A308 H328 V335 V350 S351H7-M333 HydrophobicContact CB-CE 3.62Å; G9-M333 VanDerWaalsContact O-CA 3.31Å; G9-M333 WeakPolarHBondContact O-CA 3.27Å; G9-M333 VanDerWaalsContact O-CG 3.3Å; G9-M333 WeakPolarHBondContact O-CG 3.38Å; A10-M333 HydrophobicContact CB-CB 4.2Å; A10-M333 HydrophobicContact CB-CG 3.84Å; A10-M333 HydrophobicContact CB-SD 4.02Å; A308-M333 HydrophobicContact CB-CE 3.81Å; H328-M333 HydrophobicContact CB-CB 4.32Å; H328-M333 HydrophobicContact CB-SD 4.07Å; M333-V335 HydrophobicContact CB-CG1 4.28Å; M333-V335 HydrophobicContact CE-CG1 4.26Å; M333-V335 HydrophobicContact CG-CG1 3.72Å; M333-V335 HydrophobicContact SD-CG1 4.13Å; M333-V350 CarbonylContact O-C 3.43Å; M333-V350 WeakPolarHBondContact O-CA 3.36Å; M333-S351 PolarHBondContact N-O 3.24Å; M333-S351 VanDerWaalsContact N-O 3.09Å; M333-S351 PolarHBondContact O-N 2.91Å; M333-S351 PolarHBondContact O-OG 2.84Å
334S97.5Very high97.2Very high0 Ų028.9 Ų28.90%014%0.14CC..EExtended strand (participates in β ladder)trans-88121.9174.5-179.40000109H7 A8 G9 H13 Y21 C25H7-S334 CarbonylContact C-O 3.58Å; H7-S334 WeakPolarHBondContact CA-O 3.44Å; H7-S334 WeakPolarHBondContact CB-O 3.44Å; A8-S334 PolarHBondContact N-O 3.11Å; G9-S334 PolarHBondContact O-N 2.76Å; G9-S334 VanDerWaalsContact O-N 3.1Å; H13-S334 PolarHBondContact CE1-N 2.88Å; H13-S334 WeakPolarHBondContact NE2-CB 3.47Å; Y21-S334 WeakPolarHBondContact CB-OG 3.1Å; C25-S334 PolarHBondContact SG-OG 2.83Å
335V98.6Very high97.2Very high0 Ų036.6 Ų36.60%017%0.174CC..EExtended strand (participates in β ladder)trans-135.4153.6-169.8-63.20000112.1H7 F326 M333 V348 H349H7-V335 HydrophobicContact CB-CG1 4.5Å; F326-V335 HydrophobicContact CB-CG1 4.18Å; F326-V335 HydrophobicContact CD1-CB 3.61Å; F326-V335 HydrophobicContact CD1-CG1 3.41Å; F326-V335 VanDerWaalsContact CD1-CG1 3.41Å; F326-V335 HydrophobicContact CD1-CG2 4.36Å; F326-V335 HydrophobicContact CD2-CB 4.29Å; F326-V335 HydrophobicContact CD2-CG2 4.23Å; F326-V335 HydrophobicContact CE1-CB 3.58Å; F326-V335 HydrophobicContact CE1-CG1 3.86Å; F326-V335 HydrophobicContact CE1-CG2 4.48Å; F326-V335 HydrophobicContact CE2-CB 4.27Å; F326-V335 HydrophobicContact CE2-CG2 4.36Å; F326-V335 HydrophobicContact CG-CB 3.97Å; F326-V335 HydrophobicContact CG-CG1 3.83Å; F326-V335 HydrophobicContact CG-CG2 4.23Å; F326-V335 HydrophobicContact CZ-CB 3.93Å; F326-V335 HydrophobicContact CZ-CG2 4.48Å; M333-V335 HydrophobicContact CB-CG1 4.28Å; M333-V335 HydrophobicContact CE-CG1 4.26Å; M333-V335 HydrophobicContact CG-CG1 3.72Å; M333-V335 HydrophobicContact SD-CG1 4.13Å; V335-V348 WeakPolarHBondContact O-CA 3.28Å; V335-H349 WeakPolarHBondContact CG2-O 3.45Å; V335-H349 PolarHBondContact N-O 2.8Å; V335-H349 PolarHBondContact O-N 3.41Å; V335-H349 VanDerWaalsContact O-N 3.14Å; V335-H349 VanDerWaalsContact O-O 3.14Å
336G98.7Very high97.2Very high1 Ų137 Ų371%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-156.1149.9172.400000112.5V5 V6 S347V5-G336 CarbonylContact C-O 3.54Å; V5-G336 WeakPolarHBondContact CA-O 3.48Å; V6-G336 PolarHBondContact N-O 3.03Å; V6-G336 PolarHBondContact O-N 3.21Å; G336-S347 CarbonylContact C-O 3.59Å; G336-S347 WeakPolarHBondContact CA-O 3.46Å
337H98.8Very high97.2Very high1 Ų138.9 Ų38.91%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-146.2157.8170.567.1-77.1000112.7V4 V5 V324 F326 M343 P346 S347 Y364 Y366V4-H337 CarbonylContact O-C 3.59Å; V4-H337 WeakPolarHBondContact O-CA 3.43Å; V4-H337 WeakPolarHBondContact O-CB 3.47Å; V5-H337 HydrophobicContact CG2-CB 4.26Å; V324-H337 HydrophobicContact CG1-CB 3.76Å; V324-H337 HydrophobicContact CG2-CB 4.29Å; F326-H337 AromaticContact CE2-ND1 3.7Å; F326-H337 HydrophobicContact CZ-CB 4.11Å; F326-H337 AromaticContact CZ-ND1 4Å; H337-M343 WeakPolarHBondContact O-CE 3.4Å; H337-P346 WeakPolarHBondContact O-CA 3.41Å; H337-S347 PolarHBondContact N-O 3.26Å; H337-S347 PolarHBondContact O-N 3.05Å; H337-Y364 AromaticContact CE1-CD2 3.59Å; H337-Y364 AromaticContact CE1-CE2 3.91Å; H337-Y364 AromaticContact CE1-CG 3.69Å; H337-Y364 AromaticContact NE2-CG 3.86Å; H337-Y366 AromaticContact CD2-CE2 3.95Å; H337-Y366 AromaticContact NE2-CE2 3.76Å; H337-Y366 AromaticContact NE2-CZ 3.64Å; H337-Y366 PolarHBondContact NE2-OH 3.43Å
338Y98.7Very high97.2Very high34 Ų3440.6 Ų40.613%0.13320%0.2CC..EExtended strand (participates in β ladder)trans-154.5126.3-177.1-173.4-135.8000112.1V4 P340 M343 K345 P346V4-Y338 PolarHBondContact N-O 3.49Å; V4-Y338 PolarHBondContact O-N 3.43Å; Y338-P340 HydrophobicContact CD1-CG 3.84Å; Y338-P340 HydrophobicContact CE1-CB 3.97Å; Y338-P340 HydrophobicContact CE1-CG 3.59Å; Y338-M343 HydrophobicContact CD2-CB 3.85Å; Y338-M343 HydrophobicContact CD2-CE 4.48Å; Y338-M343 HydrophobicContact CD2-SD 4.42Å; Y338-M343 HydrophobicContact CE2-CB 3.87Å; Y338-M343 WeakPolarHBondContact CE2-O 3.47Å; Y338-K345 VanDerWaalsContact CE2-C 3.47Å; Y338-P346 HydrophobicContact CD1-CG 4.13Å; Y338-P346 HydrophobicContact CD2-CB 4.32Å; Y338-P346 HydrophobicContact CD2-CG 3.95Å; Y338-P346 HydrophobicContact CE2-CG 4.45Å; Y338-P346 HydrophobicContact CG-CB 4.25Å; Y338-P346 HydrophobicContact CG-CG 3.79Å
339L97.6Very high97.2Very high0 Ų042.6 Ų42.60%021%0.21CC..  trans-115.396.3170.4-73.477.1000107.3M1 C3 V322 V324 S341 I342 M343 Y366M1-L339 HydrophobicContact CE-CD2 3.72Å; M1-L339 HydrophobicContact CE-CG 4.42Å; M1-L339 HydrophobicContact SD-CD2 4.11Å; C3-L339 HydrophobicContact CB-CG 4.11Å; V322-L339 HydrophobicContact CB-CD2 4.38Å; V322-L339 HydrophobicContact CG1-CD2 4.09Å; V324-L339 HydrophobicContact CG2-CD1 4.21Å; L339-S341 PolarHBondContact O-N 3.14Å; L339-I342 HydrophobicContact CB-CB 4.4Å; L339-I342 HydrophobicContact CB-CD1 4.47Å; L339-I342 HydrophobicContact CD2-CD1 3.86Å; L339-I342 PolarHBondContact O-N 3.02Å; L339-M343 HydrophobicContact CB-CG 4.36Å; L339-M343 HydrophobicContact CB-SD 4.11Å; L339-M343 HydrophobicContact CD1-SD 3.99Å; L339-M343 PolarHBondContact N-SD 2.91Å; L339-M343 WeakPolarHBondContact O-CB 3.42Å; L339-M343 PolarHBondContact O-N 2.94Å; L339-Y366 HydrophobicContact CD1-CD2 4.05Å; L339-Y366 HydrophobicContact CD1-CE2 3.98Å; L339-Y366 HydrophobicContact CD2-CD2 3.88Å; L339-Y366 HydrophobicContact CD2-CG 3.85Å
340P96.6Very high97.2Very high28 Ų2842.6 Ų42.618%0.18221%0.209CC..THydrogen-bonded Turntrans-56.8-25.7-171.8-24.831.1000115.5A2 Y338A2-P340 HydrophobicContact CB-CG 4.16Å; A2-P340 WeakPolarHBondContact O-CD 3.41Å; Y338-P340 HydrophobicContact CD1-CG 3.84Å; Y338-P340 HydrophobicContact CE1-CB 3.97Å; Y338-P340 HydrophobicContact CE1-CG 3.59Å
341S93.4Very high97.3Very high85 Ų8542.6 Ų42.659%0.59421%0.209SC*.THydrogen-bonded Turntrans-76.4-20.717848.10000114.1L339L339-S341 PolarHBondContact O-N 3.14Å
342I93.4Very high97.4Very high77 Ų7740 Ų4040%0.39520%0.2SC..THydrogen-bonded Turntrans-116.8-37.8-173.2-53.7176.8000111M1 L339 Y366 I368M1-I342 HydrophobicContact SD-CD1 4.39Å; L339-I342 HydrophobicContact CB-CB 4.4Å; L339-I342 HydrophobicContact CB-CD1 4.47Å; L339-I342 HydrophobicContact CD2-CD1 3.86Å; L339-I342 PolarHBondContact O-N 3.02Å; I342-Y366 HydrophobicContact CD1-CD1 4.3Å; I342-Y366 HydrophobicContact CD1-CG 4.42Å; I342-Y366 HydrophobicContact CG2-CD1 4.27Å; I342-I368 HydrophobicContact CD1-CG1 4.04Å
343M97Very high97.4Very high27 Ų2742.1 Ų42.113%0.13321%0.208CC..  trans-100.2133.2-171.4-60.7172.666.400110.3H337 Y338 L339 K345 S347 Y366H337-M343 WeakPolarHBondContact O-CE 3.4Å; Y338-M343 HydrophobicContact CD2-CB 3.85Å; Y338-M343 HydrophobicContact CD2-CE 4.48Å; Y338-M343 HydrophobicContact CD2-SD 4.42Å; Y338-M343 HydrophobicContact CE2-CB 3.87Å; Y338-M343 WeakPolarHBondContact CE2-O 3.47Å; L339-M343 HydrophobicContact CB-CG 4.36Å; L339-M343 HydrophobicContact CB-SD 4.11Å; L339-M343 HydrophobicContact CD1-SD 3.99Å; L339-M343 PolarHBondContact N-SD 2.91Å; L339-M343 WeakPolarHBondContact O-CB 3.42Å; L339-M343 PolarHBondContact O-N 2.94Å; M343-K345 VanDerWaalsContact C-N 3.28Å; M343-K345 PolarHBondContact O-N 3.04Å; M343-S347 VanDerWaalsContact CE-N 3.33Å; M343-Y366 HydrophobicContact SD-CE1 4.49Å
344K96.6Very high97.2Very high213 Ų21347.8 Ų47.893%0.92624%0.235SC*.SBendtrans-70.2-25.8174.1-66.1-175.7179.3-179.50113.5
345K98.1Very high96.8Very high161 Ų16155.9 Ų55.970%0.728%0.276SS*.SBendtrans-156.9160179.763.9179-178.1179.20109.6Y338 M343Y338-K345 VanDerWaalsContact CE2-C 3.47Å; M343-K345 VanDerWaalsContact C-N 3.28Å; M343-K345 PolarHBondContact O-N 3.04Å
346P98.7Very high96.5Very high10 Ų1061.4 Ų61.47%0.06531%0.306CS..  trans-55.8144173.9-26.635.7000113.2S26 C29 S30 H337 Y338 V348S26-P346 WeakPolarHBondContact O-CG 3.47Å; C29-P346 HydrophobicContact CB-CB 3.69Å; C29-P346 HydrophobicContact CB-CG 3.65Å; S30-P346 VanDerWaalsContact OG-CG 3.31Å; S30-P346 WeakPolarHBondContact OG-CG 3.48Å; H337-P346 WeakPolarHBondContact O-CA 3.41Å; Y338-P346 HydrophobicContact CD1-CG 4.13Å; Y338-P346 HydrophobicContact CD2-CB 4.32Å; Y338-P346 HydrophobicContact CD2-CG 3.95Å; Y338-P346 HydrophobicContact CE2-CG 4.45Å; Y338-P346 HydrophobicContact CG-CB 4.25Å; Y338-P346 HydrophobicContact CG-CG 3.79Å; P346-V348 HydrophobicContact CB-CG1 4.24Å
347S98.7Very high96.4Very high41 Ų4166.2 Ų66.229%0.28733%0.327SS..EExtended strand (participates in β ladder)trans-90.9127.1165.7-174.90000108G336 H337 M343G336-S347 CarbonylContact C-O 3.59Å; G336-S347 WeakPolarHBondContact CA-O 3.46Å; H337-S347 PolarHBondContact N-O 3.26Å; H337-S347 PolarHBondContact O-N 3.05Å; M343-S347 VanDerWaalsContact CE-N 3.33Å
348V98.7Very high96.2Very high36 Ų3669.9 Ų69.922%0.21835%0.35CS..EExtended strand (participates in β ladder)trans-145.4139.4-174.3-67.20000110.6N22 C25 V335 P346N22-V348 HydrophobicContact CB-CB 4.38Å; N22-V348 HydrophobicContact CB-CG2 3.89Å; N22-V348 WeakPolarHBondContact O-CG2 3.41Å; C25-V348 HydrophobicContact CB-CB 4.48Å; C25-V348 HydrophobicContact CB-CG1 3.88Å; V335-V348 WeakPolarHBondContact O-CA 3.28Å; P346-V348 HydrophobicContact CB-CG1 4.24Å
349H98.3Very high96.2Very high43 Ų4369 Ų6920%0.19935%0.349CS..EExtended strand (participates in β ladder)trans-164.8171.9171.966.9-73.7000110.9N22 V335 S351 E362N22-H349 VanDerWaalsContact OD1-CA 3.31Å; N22-H349 WeakPolarHBondContact OD1-CA 3.43Å; V335-H349 WeakPolarHBondContact CG2-O 3.45Å; V335-H349 PolarHBondContact N-O 2.8Å; V335-H349 PolarHBondContact O-N 3.41Å; V335-H349 VanDerWaalsContact O-N 3.14Å; V335-H349 VanDerWaalsContact O-O 3.14Å; H349-S351 PolarHBondContact CD2-N 2.98Å; H349-E362 VanDerWaalsContact CE1-CD 3.49Å; H349-E362 IonicContact CE1-OE1 3.87Å; H349-E362 PolarHBondContact CE1-OE1 3.49Å; H349-E362 IonicContact CE1-OE2 3.54Å; H349-E362 PolarHBondContact CE1-OE2 3.36Å; H349-E362 IonicContact NE2-OE1 3.56Å; H349-E362 PolarHBondContact NE2-OE1 3.15Å; H349-E362 VanDerWaalsContact NE2-OE1 3.13Å; H349-E362 IonicContact NE2-OE2 4Å; H349-E362 PolarHBondContact NE2-OE2 3.31Å
350V97.9Very high96.2Very high9 Ų972.3 Ų72.36%0.05536%0.362CS..EExtended strand (participates in β ladder)trans-100.7107.1166.4172.50000107.4H13 E18 M333 R352H13-V350 HydrophobicContact CB-CG1 3.71Å; H13-V350 HydrophobicContact CB-CG2 4.26Å; E18-V350 HydrophobicContact CG-CB 4.03Å; E18-V350 HydrophobicContact CG-CG2 3.79Å; M333-V350 CarbonylContact O-C 3.43Å; M333-V350 WeakPolarHBondContact O-CA 3.36Å; V350-R352 HydrophobicContact CG1-CG 4.3Å
351S97.6Very high96.3Very high2 Ų272.9 Ų72.91%0.01436%0.363CS..EExtended strand (participates in β ladder)trans-67.4146.3173.257.80000109.8H328 S332 M333 H349H328-S351 PolarHBondContact CD2-OG 2.85Å; H328-S351 PolarHBondContact NE2-OG 3.01Å; H328-S351 VanDerWaalsContact NE2-OG 3.07Å; S332-S351 CarbonylContact C-O 3.5Å; S332-S351 WeakPolarHBondContact CA-O 3.48Å; S332-S351 WeakPolarHBondContact CB-O 3.39Å; M333-S351 PolarHBondContact N-O 3.24Å; M333-S351 VanDerWaalsContact N-O 3.09Å; M333-S351 PolarHBondContact O-N 2.91Å; M333-S351 PolarHBondContact O-OG 2.84Å; H349-S351 PolarHBondContact CD2-N 2.98Å
352R97.1Very high96.6Very high73 Ų7369.7 Ų69.728%0.27534%0.338SS..EExtended strand (participates in β ladder)trans-138119.3-174.3-63.5-173.8-177.8-75.7-0.6110.1H13 E18 R331 V350 Y360H13-R352 PolarHBondContact O-NH1 3.49Å; H13-R352 PolarHBondContact O-NH2 2.72Å; E18-R352 IonicContact OE2-CZ 2.79Å; E18-R352 IonicContact OE2-NE 3.95Å; E18-R352 IonicContact OE2-NH2 2.84Å; E18-R352 PolarHBondContact OE2-NH2 3.44Å; R331-R352 WeakPolarHBondContact O-CA 3.35Å; V350-R352 HydrophobicContact CG1-CG 4.3Å; R352-Y360 WeakPolarHBondContact O-CD2 3.11Å
353K96Very high96.8Very high43 Ų4368.1 Ų68.119%0.18733%0.333CS..  trans-77132.5-179.8-167.6-177.568.563.30110.4S329 T330 R331 K357 P358S329-K353 WeakPolarHBondContact O-CE 3.45Å; T330-K353 WeakPolarHBondContact O-CB 3.29Å; T330-K353 WeakPolarHBondContact O-CE 3.47Å; R331-K353 PolarHBondContact O-N 3.16Å; K353-K357 WeakPolarHBondContact CD-O 2.91Å; K353-K357 PolarHBondContact NZ-O 3.21Å; K353-P358 WeakPolarHBondContact CD-O 3.13Å
354Q94.1Very high96.8Very high120 Ų12070 Ų7056%0.56134%0.339SS*.  trans-62.1149169.4-64.6178.5-6.600110.4D356 K357Q354-D356 VanDerWaalsContact C-N 3.32Å; Q354-D356 WeakPolarHBondContact CB-OD1 3.24Å; Q354-D356 PolarHBondContact O-N 3.02Å; Q354-K357 HydrophobicContact CB-CB 4.31Å; Q354-K357 HydrophobicContact CB-CG 3.87Å; Q354-K357 PolarHBondContact O-N 3.38Å
355I88.9Confident96.7Very high169 Ų16962.7 Ų62.787%0.86732%0.318SS*.THydrogen-bonded Turntrans-67.2-36.4-172.4-65.9173.9000111.2
356D92.1Very high96.4Very high117 Ų11756.9 Ų56.963%0.62629%0.292SS*.THydrogen-bonded Turntrans-81.7-11-178.464.6-54.2000114.1Q354Q354-D356 VanDerWaalsContact C-N 3.32Å; Q354-D356 WeakPolarHBondContact CB-OD1 3.24Å; Q354-D356 PolarHBondContact O-N 3.02Å
357K95.7Very high95.8Very high102 Ų10260.6 Ų60.644%0.44331%0.314SS..  trans-96.5139.5-179.4-58.8-62.6178.5-176.90111.6K353 Q354 T359K353-K357 WeakPolarHBondContact CD-O 2.91Å; K353-K357 PolarHBondContact NZ-O 3.21Å; Q354-K357 HydrophobicContact CB-CB 4.31Å; Q354-K357 HydrophobicContact CB-CG 3.87Å; Q354-K357 PolarHBondContact O-N 3.38Å; K357-T359 VanDerWaalsContact C-N 3.33Å
358P95.9Very high94.6Very high77 Ų7764.2 Ų64.250%0.533%0.329SS..SBendtrans-70.3-31.5177.828.2-34.3000112.4L292 K353L292-P358 HydrophobicContact CD1-CB 4.03Å; K353-P358 WeakPolarHBondContact CD-O 3.13Å
359T98Very high94.4Very high16 Ų1665.7 Ų65.710%0.09834%0.335CS..  trans-140.1159.8-177.656.90000111.3L287 L292 H328 K357L287-T359 HydrophobicContact CB-CG2 3.81Å; L287-T359 HydrophobicContact CD1-CG2 4.16Å; L292-T359 HydrophobicContact CD1-CG2 3.68Å; H328-T359 CarbonylContact O-C 3.56Å; H328-T359 VanDerWaalsContact O-CA 3.29Å; H328-T359 WeakPolarHBondContact O-CA 3.41Å; K357-T359 VanDerWaalsContact C-N 3.33Å
360Y98.3Very high94.2Very high70 Ų7066.8 Ų66.828%0.27534%0.342SS..EExtended strand (participates in β ladder)trans-114.3138.1161.6178.6-82.7000107.4G327 H328 R352 E362G327-Y360 CarbonylContact C-O 3.46Å; G327-Y360 WeakPolarHBondContact CA-O 3.19Å; H328-Y360 PolarHBondContact N-O 3.04Å; H328-Y360 AromaticContact NE2-CD1 3.8Å; H328-Y360 AromaticContact NE2-CG 3.9Å; H328-Y360 PolarHBondContact O-N 3.11Å; R352-Y360 WeakPolarHBondContact O-CD2 3.11Å; Y360-E362 HydrophobicContact CE1-CB 4.05Å; Y360-E362 HydrophobicContact CE1-CG 3.87Å; Y360-E362 PolarHBondContact OH-OE2 3.16Å
361I98.5Very high94Very high40 Ų4070.1 Ų70.121%0.20536%0.358CS..EExtended strand (participates in β ladder)trans-141.4139.4-179-59.4173.2000108.2V283 H284 L287 F326 V363V283-I361 HydrophobicContact CB-CG2 4.25Å; V283-I361 HydrophobicContact CG1-CD1 4.39Å; V283-I361 HydrophobicContact CG1-CG1 4.26Å; V283-I361 HydrophobicContact CG1-CG2 3.86Å; H284-I361 VanDerWaalsContact CA-CD1 3.43Å; H284-I361 HydrophobicContact CB-CD1 3.59Å; L287-I361 HydrophobicContact CD1-CD1 4.46Å; L287-I361 HydrophobicContact CD1-CG1 4.14Å; F326-I361 WeakPolarHBondContact O-CA 3.44Å; I361-V363 HydrophobicContact CG2-CG2 4.47Å
362E98.2Very high93.8Very high17 Ų1774.1 Ų74.18%0.07938%0.378CS..EExtended strand (participates in β ladder)trans-143.7143.917159.2-176.5171.300109.8F325 F326 H349 Y360 Y364F325-E362 WeakPolarHBondContact CA-O 3.28Å; F326-E362 HydrophobicContact CB-CG 3.81Å; F326-E362 HydrophobicContact CD2-CG 3.92Å; F326-E362 WeakPolarHBondContact CD2-OE1 3.48Å; F326-E362 HydrophobicContact CG-CG 4.36Å; F326-E362 PolarHBondContact N-O 3.12Å; F326-E362 PolarHBondContact O-N 2.8Å; H349-E362 VanDerWaalsContact CE1-CD 3.49Å; H349-E362 IonicContact CE1-OE1 3.87Å; H349-E362 PolarHBondContact CE1-OE1 3.49Å; H349-E362 IonicContact CE1-OE2 3.54Å; H349-E362 PolarHBondContact CE1-OE2 3.36Å; H349-E362 IonicContact NE2-OE1 3.56Å; H349-E362 PolarHBondContact NE2-OE1 3.15Å; H349-E362 VanDerWaalsContact NE2-OE1 3.13Å; H349-E362 IonicContact NE2-OE2 4Å; H349-E362 PolarHBondContact NE2-OE2 3.31Å; Y360-E362 HydrophobicContact CE1-CB 4.05Å; Y360-E362 HydrophobicContact CE1-CG 3.87Å; Y360-E362 PolarHBondContact OH-OE2 3.16Å; E362-Y364 HydrophobicContact CB-CE2 4.2Å; E362-Y364 HydrophobicContact CG-CE2 3.87Å; E362-Y364 PolarHBondContact OE2-OH 2.74Å
363V98Very high93.6Very high45 Ų4574.1 Ų74.127%0.27338%0.384SS..EExtended strand (participates in β ladder)trans-135133.3179.1-177.70000108V279 E323 V324 F325 I361V279-V363 HydrophobicContact CB-CG1 4.18Å; V279-V363 HydrophobicContact CG1-CG1 3.99Å; V279-V363 HydrophobicContact CG1-CG2 4.22Å; E323-V363 HydrophobicContact CB-CG1 4.32Å; V324-V363 CarbonylContact O-C 3.54Å; V324-V363 WeakPolarHBondContact O-CA 3.01Å; F325-V363 HydrophobicContact CB-CG2 4.09Å; I361-V363 HydrophobicContact CG2-CG2 4.47Å
364Y97.2Very high93.4Very high67 Ų6776.2 Ų76.226%0.26340%0.398SS..EExtended strand (participates in β ladder)trans-117.1109.5178-59.5-88.9000108.3E323 V324 F326 H337 E362E323-Y364 WeakPolarHBondContact CA-O 3.43Å; V324-Y364 PolarHBondContact N-O 2.82Å; V324-Y364 PolarHBondContact O-N 3.07Å; F326-Y364 HydrophobicContact CD2-CD2 4.35Å; F326-Y364 HydrophobicContact CD2-CE2 4.01Å; F326-Y364 HydrophobicContact CE2-CD2 4.22Å; F326-Y364 HydrophobicContact CE2-CE2 4.07Å; H337-Y364 AromaticContact CE1-CD2 3.59Å; H337-Y364 AromaticContact CE1-CE2 3.91Å; H337-Y364 AromaticContact CE1-CG 3.69Å; H337-Y364 AromaticContact NE2-CG 3.86Å; E362-Y364 HydrophobicContact CB-CE2 4.2Å; E362-Y364 HydrophobicContact CG-CE2 3.87Å; E362-Y364 PolarHBondContact OE2-OH 2.74Å
365A94.6Very high93.3Very high58 Ų5873.1 Ų73.148%0.47939%0.386SS..EExtended strand (participates in β ladder)trans-94.9133179.600000110.8P320 E323P320-A365 HydrophobicContact CB-CB 3.79Å; P320-A365 HydrophobicContact CG-CB 4.25Å; E323-A365 HydrophobicContact CG-CB 4.03Å
366Y93.1Very high93.7Very high40 Ų4065.7 Ų65.716%0.15735%0.349CS..EExtended strand (participates in β ladder)trans-125.2113.3179.7-62.8-80.2000109.7P320 N321 V322 V324 H337 L339 I342 M343P320-Y366 CarbonylContact C-O 3.57Å; N321-Y366 PolarHBondContact N-O 3.48Å; V322-Y366 PolarHBondContact N-O 3.12Å; V322-Y366 PolarHBondContact O-N 3.04Å; V324-Y366 HydrophobicContact CG2-CE2 4.46Å; H337-Y366 AromaticContact CD2-CE2 3.95Å; H337-Y366 AromaticContact NE2-CE2 3.76Å; H337-Y366 AromaticContact NE2-CZ 3.64Å; H337-Y366 PolarHBondContact NE2-OH 3.43Å; L339-Y366 HydrophobicContact CD1-CD2 4.05Å; L339-Y366 HydrophobicContact CD1-CE2 3.98Å; L339-Y366 HydrophobicContact CD2-CD2 3.88Å; L339-Y366 HydrophobicContact CD2-CG 3.85Å; I342-Y366 HydrophobicContact CD1-CD1 4.3Å; I342-Y366 HydrophobicContact CD1-CG 4.42Å; I342-Y366 HydrophobicContact CG2-CD1 4.27Å; M343-Y366 HydrophobicContact SD-CE1 4.49Å
367T85Confident93.8Very high87 Ų8761.4 Ų61.453%0.53433%0.326SS..  trans-84.3134.6165.3-53.50000108.3P320P320-T367 WeakPolarHBondContact CA-OG1 3.34Å
368I73.5Confident93.7Very high118 Ų11857.7 Ų57.761%0.60532%0.315SS*.  trans-109.70-175.3-56.3159.4000108.8M1 F314 N321 V322 I342M1-I368 HydrophobicContact CE-CD1 3.5Å; M1-I368 HydrophobicContact CE-CG1 4.42Å; M1-I368 HydrophobicContact CG-CD1 4.46Å; M1-I368 HydrophobicContact SD-CD1 3.2Å; M1-I368 WeakPolarHBondContact SD-CD1 3.46Å; M1-I368 HydrophobicContact SD-CG1 3.73Å; F314-I368 HydrophobicContact CE1-CD1 3.86Å; N321-I368 HydrophobicContact CB-CD1 3.8Å; N321-I368 HydrophobicContact CB-CG1 4.3Å; V322-I368 HydrophobicContact CG2-CD1 4.15Å; I342-I368 HydrophobicContact CD1-CG1 4.04Å

Retrieved 368 of 368 residues in 339.4 ms (Link to these results)

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