A0A060WIP5_ONCMY Loading...

Peptidyl-prolyl cis-trans isomerase E

Catalyzes the cis-trans isomerization of proline imidic peptide bonds in proteins. Involved in pre-mRNA splicing as component of the spliceosome. Combines RNA-binding and PPIase activities. Binds mRNA and has a preference for single-stranded RNA molecules with poly-A and poly-U stretches, suggesting it binds to the poly(A)-region in the 3'-UTR of mRNA molecules. Catalyzes the cis-trans isomerization of proline imidic peptide bonds in proteins. Inhibits KMT2A activity; this requires proline isomerase activity.

AlphaFold DB , UniProt , Accession A0A060WIP5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 302 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.3Very low67.8Low240 Ų24081.4 Ų81.4100%1.18245%0.447SS*.  0107.30-70.7-78.8-110.400106.5A3M1-A3 PolarHBondContact O-N 3.02Å
2A37.6Very low69Low92 Ų9276.8 Ų76.876%0.7643%0.432SS*.  trans-57.3128.1-17800000108.8T4A2-T4 VanDerWaalsContact C-N 3.31Å; A2-T4 PolarHBondContact O-N 2.76Å
3A45Very low70.1Confident92 Ų9271.1 Ų71.176%0.7640%0.4SS*.  trans-59102169.700000106.8M1 K5M1-A3 PolarHBondContact O-N 3.02Å; A3-K5 PolarHBondContact O-N 3.37Å; A3-K5 VanDerWaalsContact O-N 3.12Å
4T56.6Low70.8Confident88 Ų8867.4 Ų67.454%0.5438%0.38SS..  trans-64.2113.7-179.4290000107.1A2 R6 A57A2-T4 VanDerWaalsContact C-N 3.31Å; A2-T4 PolarHBondContact O-N 2.76Å; T4-R6 PolarHBondContact O-N 3.26Å; T4-A57 VanDerWaalsContact CB-CB 3.5Å; T4-A57 HydrophobicContact CG2-CB 3.96Å
5K67.4Low71.2Confident123 Ų12371.4 Ų71.454%0.53539%0.394SS..  trans-79111.8-173.4-60.4173.8-176.2172.40107.8A3 I81A3-K5 PolarHBondContact O-N 3.37Å; A3-K5 VanDerWaalsContact O-N 3.12Å; K5-I81 HydrophobicContact CB-CG2 3.47Å; K5-I81 VanDerWaalsContact CB-CG2 3.47Å; K5-I81 HydrophobicContact CD-CG2 3.41Å; K5-I81 VanDerWaalsContact CD-CG2 3.41Å; K5-I81 HydrophobicContact CG-CG2 4.07Å
6R78.1Confident71.6Confident120 Ų12075.7 Ų75.745%0.45341%0.41SS..  trans-99-9.5-173.3-63.2177.9-162.9-170.5-1.4114.5T4 F54 A57T4-R6 PolarHBondContact O-N 3.26Å; R6-F54 PolarHBondContact O-N 3.15Å; R6-A57 HydrophobicContact CG-CB 4.14Å
7V83.7Confident72.1Confident50 Ų5071.4 Ų71.430%0.30339%0.387SS..EExtended strand (participates in β ladder)trans-101.7127.2-176-172.80000109.6F51 I52 E53 A82V7-F51 HydrophobicContact CG1-CB 4.25Å; V7-F51 HydrophobicContact CG1-CD1 4.45Å; V7-I52 CarbonylContact C-O 3.59Å; V7-I52 WeakPolarHBondContact CA-O 3.24Å; V7-E53 HydrophobicContact CG2-CB 4.25Å; V7-E53 HydrophobicContact CG2-CG 4.11Å; V7-A82 HydrophobicContact CB-CB 4.01Å; V7-A82 HydrophobicContact CG1-CB 3.73Å; V7-A82 VanDerWaalsContact O-CB 3.26Å; V7-A82 WeakPolarHBondContact O-CB 3.23Å; V7-A82 PolarHBondContact O-N 2.85Å
8L86.2Confident72.7Confident0 Ų073.5 Ų73.50%040%0.398CS..EExtended strand (participates in β ladder)trans-101.7141174.3-59.1-171.1000110.4F51 I52 F54 A60 A63 I64 V79L8-F51 VanDerWaalsContact O-CA 3.28Å; L8-F51 WeakPolarHBondContact O-CA 3.33Å; L8-I52 PolarHBondContact N-O 2.73Å; L8-I52 PolarHBondContact O-N 2.75Å; L8-F54 HydrophobicContact CD1-CD2 4.07Å; L8-F54 HydrophobicContact CD1-CE2 3.63Å; L8-F54 HydrophobicContact CG-CD2 4.28Å; L8-F54 HydrophobicContact CG-CE2 4.26Å; L8-A60 HydrophobicContact CD1-CB 4.4Å; L8-A60 WeakPolarHBondContact CD1-O 3.43Å; L8-A60 HydrophobicContact CD2-CB 3.96Å; L8-A60 HydrophobicContact CG-CB 4.17Å; L8-A63 HydrophobicContact CD1-CB 3.75Å; L8-I64 HydrophobicContact CD1-CG1 4.16Å; L8-I64 HydrophobicContact CD2-CD1 3.41Å; L8-I64 VanDerWaalsContact CD2-CD1 3.41Å; L8-I64 HydrophobicContact CD2-CG1 3.56Å; L8-I64 HydrophobicContact CG-CG1 4.49Å; L8-V79 HydrophobicContact CB-CG1 4.25Å; L8-V79 HydrophobicContact CD1-CG1 3.9Å
9Y86.9Confident73.2Confident86 Ų8675.7 Ų75.734%0.33741%0.405SS..EExtended strand (participates in β ladder)trans-97.1121.2166.5171.4-98.8000108.4F49 F51 V79 N80Y9-F49 HydrophobicContact CE2-CB 3.71Å; Y9-F49 AromaticContact CE2-CD2 3.8Å; Y9-F49 HydrophobicContact CE2-CD2 3.8Å; Y9-F49 AromaticContact CE2-CG 3.9Å; Y9-F49 HydrophobicContact CE2-CG 3.9Å; Y9-F51 HydrophobicContact CD2-CD1 4.17Å; Y9-F51 AromaticContact CD2-CE1 3.57Å; Y9-F51 HydrophobicContact CD2-CE1 3.57Å; Y9-F51 AromaticContact CD2-CZ 3.91Å; Y9-F51 HydrophobicContact CD2-CZ 3.91Å; Y9-F51 HydrophobicContact CE2-CE1 4.45Å; Y9-F51 HydrophobicContact CE2-CZ 4.36Å; Y9-F51 HydrophobicContact CG-CE1 4.4Å; Y9-V79 CarbonylContact O-C 3.57Å; Y9-V79 WeakPolarHBondContact O-CA 3.34Å; Y9-N80 PolarHBondContact N-O 3.37Å; Y9-N80 PolarHBondContact O-N 3.11Å
10V86.9Confident73.8Confident0 Ų080.9 Ų80.90%042%0.424CS..EExtended strand (participates in β ladder)trans-111.8107.7175.9-174.70000108L13 F26 F49 A50 I52 I77 R78 V79V10-L13 HydrophobicContact CG1-CD2 3.88Å; V10-L13 HydrophobicContact CG1-CG 4.27Å; V10-F26 HydrophobicContact CG1-CZ 4.45Å; V10-F26 HydrophobicContact CG2-CE2 4.35Å; V10-F26 HydrophobicContact CG2-CZ 3.84Å; V10-F49 CarbonylContact O-C 3.56Å; V10-F49 WeakPolarHBondContact O-CA 3.46Å; V10-F49 WeakPolarHBondContact O-CB 3.47Å; V10-A50 PolarHBondContact N-O 3.31Å; V10-A50 PolarHBondContact O-N 2.71Å; V10-I52 HydrophobicContact CG2-CD1 3.78Å; V10-I52 HydrophobicContact CG2-CG1 4.16Å; V10-I77 HydrophobicContact CG1-CB 4.49Å; V10-I77 HydrophobicContact CG1-CD1 4.28Å; V10-R78 CarbonylContact C-O 3.55Å; V10-R78 WeakPolarHBondContact CA-O 3.5Å; V10-V79 HydrophobicContact CG1-CG2 4.33Å; V10-V79 HydrophobicContact CG2-CG1 4.32Å; V10-V79 HydrophobicContact CG2-CG2 4.28Å
11G84.1Confident74.3Confident4 Ų479.2 Ų79.24%0.04142%0.417CS..EExtended strand (participates in β ladder)trans-106.5159.9176.300000112.4I77 R78G11-I77 CarbonylContact O-C 3.55Å; G11-I77 WeakPolarHBondContact O-CA 3.36Å; G11-R78 PolarHBondContact N-O 2.89Å; G11-R78 PolarHBondContact O-N 3.37Å
12G81.8Confident76.8Confident26 Ų2667.8 Ų67.827%0.26836%0.361SS..  trans88.119176.700000114.3G48 R75G12-G48 PolarHBondContact N-O 3.02Å; G12-R75 WeakPolarHBondContact O-CD 3.48Å
13L83.9Confident79Confident3 Ų367.3 Ų67.32%0.01634%0.343CS..  trans-68.3137176.2-60.4175.3000110.6V10 V17 L22 G48 A50 I77V10-L13 HydrophobicContact CG1-CD2 3.88Å; V10-L13 HydrophobicContact CG1-CG 4.27Å; L13-V17 HydrophobicContact CB-CB 4.46Å; L13-V17 HydrophobicContact CD2-CG1 4.16Å; L13-L22 HydrophobicContact CD1-CD1 3.99Å; L13-L22 HydrophobicContact CD1-CD2 4.26Å; L13-L22 HydrophobicContact CD2-CD2 3.85Å; L13-G48 PolarHBondContact N-O 3.1Å; L13-G48 WeakPolarHBondContact O-CA 3.3Å; L13-A50 HydrophobicContact CD1-CB 3.59Å; L13-I77 HydrophobicContact CD2-CG2 3.93Å
14T79.8Confident80.9Confident20 Ų2065.9 Ų65.912%0.12333%0.331CS..  trans-78.7152.3171.662.60000109.9E16 V17 H46 F73 R75T14-E16 PolarHBondContact O-N 3.45Å; T14-V17 WeakPolarHBondContact O-CG2 3.38Å; T14-V17 PolarHBondContact O-N 2.81Å; T14-V17 WeakPolarHBondContact OG1-CG2 3.2Å; T14-H46 VanDerWaalsContact C-CE1 3.48Å; T14-H46 PolarHBondContact O-CE1 3.47Å; T14-H46 PolarHBondContact O-NE2 2.92Å; T14-F73 HydrophobicContact CG2-CB 4.11Å; T14-F73 WeakPolarHBondContact OG1-CB 3.29Å; T14-R75 HydrophobicContact CG2-CB 3.44Å; T14-R75 VanDerWaalsContact CG2-CB 3.44Å; T14-R75 HydrophobicContact CG2-CG 4.31Å
15E76.9Confident82.1Confident127 Ų12762.8 Ų62.859%0.59332%0.315SS*.THydrogen-bonded Turntrans-58.4-8.3-176.1-58.7-177.7170.600115.1K45 H46E15-K45 HydrophobicContact CG-CD 4.42Å; E15-K45 IonicContact OE1-NZ 3.49Å; E15-K45 WeakPolarHBondContact OE2-CE 3.45Å; E15-K45 IonicContact OE2-NZ 3.77Å; E15-K45 PolarHBondContact OE2-NZ 3.46Å; E15-H46 VanDerWaalsContact C-NE2 3.31Å; E15-H46 VanDerWaalsContact CA-NE2 3.27Å; E15-H46 WeakPolarHBondContact CA-NE2 3.28Å; E15-H46 PolarHBondContact O-NE2 3.19Å
16E76.9Confident82.9Confident140 Ų14057 Ų5765%0.65429%0.289SS*.THydrogen-bonded Turntrans-94.8-1.1179.9-61.1-179.4-178.600112.8T14 D18T14-E16 PolarHBondContact O-N 3.45Å; E16-D18 PolarHBondContact O-N 3.43Å
17V81.3Confident83.2Confident2 Ų255.4 Ų55.41%0.01229%0.289CS..  trans-90.2106.9-175.2-179.40000111.1L13 T14 V21 L22 H46 F73L13-V17 HydrophobicContact CB-CB 4.46Å; L13-V17 HydrophobicContact CD2-CG1 4.16Å; T14-V17 WeakPolarHBondContact O-CG2 3.38Å; T14-V17 PolarHBondContact O-N 2.81Å; T14-V17 WeakPolarHBondContact OG1-CG2 3.2Å; V17-V21 HydrophobicContact CG1-CB 4.32Å; V17-V21 HydrophobicContact CG1-CG1 4.28Å; V17-L22 HydrophobicContact CG1-CD1 4.27Å; V17-L22 HydrophobicContact CG1-CD2 3.85Å; V17-L22 HydrophobicContact CG1-CG 3.68Å; V17-H46 PolarHBondContact O-NE2 2.95Å; V17-F73 HydrophobicContact CG2-CD2 3.86Å; V17-F73 HydrophobicContact CG2-CE2 4.28Å
18D81.9Confident83.4Confident110 Ų11057.7 Ų57.759%0.58831%0.305SS*.  trans-86.8164.8171.8-73.8-50.6000113.3E16 K20 V21 L22E16-D18 PolarHBondContact O-N 3.43Å; D18-K20 PolarHBondContact O-N 3.33Å; D18-V21 HydrophobicContact CB-CG2 4.41Å; D18-V21 WeakPolarHBondContact O-CB 3.48Å; D18-V21 PolarHBondContact O-N 2.7Å; D18-L22 PolarHBondContact O-N 2.82Å; D18-L22 VanDerWaalsContact O-N 3.12Å
19E82.5Confident83.3Confident115 Ų11560.3 Ų60.354%0.53732%0.317SS..Hα-helixtrans-51.7-41.4173.3-171-167.8155.800112.8V21 L22 H23 I35 I37E19-V21 VanDerWaalsContact C-N 3.26Å; E19-V21 PolarHBondContact O-N 3.19Å; E19-L22 PolarHBondContact O-N 2.74Å; E19-H23 WeakPolarHBondContact O-CB 3.41Å; E19-H23 PolarHBondContact O-N 3.17Å; E19-I35 HydrophobicContact CG-CB 4.03Å; E19-I35 HydrophobicContact CG-CD1 4.15Å; E19-I35 HydrophobicContact CG-CG2 3.96Å; E19-I37 HydrophobicContact CB-CD1 3.97Å
20K84.6Confident83.1Confident179 Ų17956.9 Ų56.978%0.77831%0.307SS*.Hα-helixtrans-63.3-34.1179.2-65.1-179.3-178.4175.30112.6D18 A24D18-K20 PolarHBondContact O-N 3.33Å; K20-A24 WeakPolarHBondContact O-CB 3.28Å; K20-A24 PolarHBondContact O-N 2.89Å
21V85.1Confident82.9Confident46 Ų4662.1 Ų62.128%0.27934%0.335SS..Hα-helixtrans-73.4-43179.7178.30000109.7V17 D18 E19 A24 A25 F73V17-V21 HydrophobicContact CG1-CB 4.32Å; V17-V21 HydrophobicContact CG1-CG1 4.28Å; D18-V21 HydrophobicContact CB-CG2 4.41Å; D18-V21 WeakPolarHBondContact O-CB 3.48Å; D18-V21 PolarHBondContact O-N 2.7Å; E19-V21 VanDerWaalsContact C-N 3.26Å; E19-V21 PolarHBondContact O-N 3.19Å; V21-A24 PolarHBondContact O-N 2.78Å; V21-A25 WeakPolarHBondContact O-CB 3.46Å; V21-A25 PolarHBondContact O-N 2.83Å; V21-F73 HydrophobicContact CG1-CE2 3.66Å; V21-F73 HydrophobicContact CG1-CZ 4.14Å
22L84.7Confident83Confident1 Ų163.2 Ų63.21%0.00534%0.341CS..Hα-helixtrans-62.1-46.9172.4-69.6173.3000110.9L13 V17 D18 E19 A24 A25 F26 I35 I37 A50L13-L22 HydrophobicContact CD1-CD1 3.99Å; L13-L22 HydrophobicContact CD1-CD2 4.26Å; L13-L22 HydrophobicContact CD2-CD2 3.85Å; V17-L22 HydrophobicContact CG1-CD1 4.27Å; V17-L22 HydrophobicContact CG1-CD2 3.85Å; V17-L22 HydrophobicContact CG1-CG 3.68Å; D18-L22 PolarHBondContact O-N 2.82Å; D18-L22 VanDerWaalsContact O-N 3.12Å; E19-L22 PolarHBondContact O-N 2.74Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 PolarHBondContact O-N 3.25Å; L22-A25 PolarHBondContact O-N 2.85Å; L22-A25 VanDerWaalsContact O-N 3.11Å; L22-F26 HydrophobicContact CD2-CD2 4.43Å; L22-F26 HydrophobicContact CD2-CE2 3.98Å; L22-F26 VanDerWaalsContact O-CD2 3.24Å; L22-F26 WeakPolarHBondContact O-CD2 3.44Å; L22-F26 PolarHBondContact O-N 2.86Å; L22-I35 HydrophobicContact CD1-CG2 4.26Å; L22-I37 HydrophobicContact CD1-CD1 3.75Å; L22-I37 HydrophobicContact CD1-CG1 4.11Å; L22-A50 HydrophobicContact CD1-CB 3.67Å
23H84.1Confident83.1Confident81 Ų8166.2 Ų66.238%0.37535%0.354SS..Hα-helixtrans-56.1-47.9177.1-169.2-90.6000111.4E19 A25 F26 I27 I35E19-H23 WeakPolarHBondContact O-CB 3.41Å; E19-H23 PolarHBondContact O-N 3.17Å; H23-A25 VanDerWaalsContact C-N 3.34Å; H23-A25 PolarHBondContact O-N 2.86Å; H23-F26 PolarHBondContact O-N 2.94Å; H23-I27 WeakPolarHBondContact CE1-CD1 3.2Å; H23-I27 WeakPolarHBondContact ND1-CD1 3.24Å; H23-I27 WeakPolarHBondContact O-CD1 3.48Å; H23-I27 WeakPolarHBondContact O-CG1 3.19Å; H23-I27 PolarHBondContact O-N 2.79Å; H23-I35 HydrophobicContact CB-CD1 3.73Å
24A84.9Confident82.9Confident62 Ų6270.2 Ų70.251%0.51238%0.376SS..Hα-helixtrans-63.7-34.7177.300000113.9K20 V21 L22K20-A24 WeakPolarHBondContact O-CB 3.28Å; K20-A24 PolarHBondContact O-N 2.89Å; V21-A24 PolarHBondContact O-N 2.78Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 PolarHBondContact O-N 3.25Å
25A83.4Confident83Confident24 Ų2470 Ų7020%0.19837%0.374CS..Hα-helixtrans-74-28.6178.800000113V21 L22 H23 F29 M67V21-A25 WeakPolarHBondContact O-CB 3.46Å; V21-A25 PolarHBondContact O-N 2.83Å; L22-A25 PolarHBondContact O-N 2.85Å; L22-A25 VanDerWaalsContact O-N 3.11Å; H23-A25 VanDerWaalsContact C-N 3.34Å; H23-A25 PolarHBondContact O-N 2.86Å; A25-F29 WeakPolarHBondContact O-CE2 3.3Å; A25-M67 HydrophobicContact CB-CE 4.07Å
26F84.1Confident83.2Confident0 Ų069.6 Ų69.60%037%0.371CS..Hα-helixtrans-102.6-18.3-173.5-75.8-83.3000114.5V10 L22 H23 P28 F29 G30 V32 I52 F54 A63 M67 V79V10-F26 HydrophobicContact CG1-CZ 4.45Å; V10-F26 HydrophobicContact CG2-CE2 4.35Å; V10-F26 HydrophobicContact CG2-CZ 3.84Å; L22-F26 HydrophobicContact CD2-CD2 4.43Å; L22-F26 HydrophobicContact CD2-CE2 3.98Å; L22-F26 VanDerWaalsContact O-CD2 3.24Å; L22-F26 WeakPolarHBondContact O-CD2 3.44Å; L22-F26 PolarHBondContact O-N 2.86Å; H23-F26 PolarHBondContact O-N 2.94Å; F26-P28 VanDerWaalsContact C-N 3.33Å; F26-F29 PolarHBondContact O-N 2.97Å; F26-F29 VanDerWaalsContact O-N 3.11Å; F26-G30 PolarHBondContact O-N 2.84Å; F26-V32 HydrophobicContact CB-CG2 4.02Å; F26-I52 HydrophobicContact CD1-CD1 4.15Å; F26-I52 HydrophobicContact CD2-CD1 3.3Å; F26-I52 HydrophobicContact CE1-CD1 4.18Å; F26-I52 HydrophobicContact CE2-CD1 3.37Å; F26-I52 HydrophobicContact CG-CD1 3.73Å; F26-I52 HydrophobicContact CZ-CD1 3.82Å; F26-F54 HydrophobicContact CB-CZ 4.02Å; F26-F54 HydrophobicContact CD1-CE2 4.3Å; F26-F54 AromaticContact CD1-CZ 3.9Å; F26-F54 HydrophobicContact CD1-CZ 3.9Å; F26-F54 HydrophobicContact CG-CZ 4.38Å; F26-A63 HydrophobicContact CD1-CB 4.22Å; F26-A63 HydrophobicContact CE1-CB 4.35Å; F26-M67 HydrophobicContact CE1-CB 4.19Å; F26-M67 HydrophobicContact CE1-CE 4.31Å; F26-M67 HydrophobicContact CE1-CG 4.04Å; F26-M67 HydrophobicContact CE2-CE 4.1Å; F26-M67 HydrophobicContact CZ-CB 4.39Å; F26-M67 HydrophobicContact CZ-CE 3.93Å; F26-M67 HydrophobicContact CZ-CG 4.43Å; F26-V79 HydrophobicContact CZ-CG2 4.38Å
27I84.4Confident83.5Confident88 Ų8864.7 Ų64.745%0.45135%0.35SS..G310 helixtrans-47.9-43.2170.8-81.2158.7000114H23 F29 G30H23-I27 WeakPolarHBondContact CE1-CD1 3.2Å; H23-I27 WeakPolarHBondContact ND1-CD1 3.24Å; H23-I27 WeakPolarHBondContact O-CD1 3.48Å; H23-I27 WeakPolarHBondContact O-CG1 3.19Å; H23-I27 PolarHBondContact O-N 2.79Å; I27-F29 PolarHBondContact O-N 3.36Å; I27-F29 VanDerWaalsContact O-N 3.1Å; I27-G30 PolarHBondContact O-N 2.83Å
28P86.8Confident83.3Confident98 Ų9866.1 Ų66.164%0.63636%0.359SS*.G310 helixtrans-64.3-17.9-176.3-24.135.3000114.3F26F26-P28 VanDerWaalsContact C-N 3.33Å
29F83.9Confident83.2Confident55 Ų5566.4 Ų66.424%0.24136%0.359CS..G310 helixtrans-101.1-17.2-175.6-55.8-76000113A25 F26 I27 D59 A63 N66 M67A25-F29 WeakPolarHBondContact O-CE2 3.3Å; F26-F29 PolarHBondContact O-N 2.97Å; F26-F29 VanDerWaalsContact O-N 3.11Å; I27-F29 PolarHBondContact O-N 3.36Å; I27-F29 VanDerWaalsContact O-N 3.1Å; F29-D59 VanDerWaalsContact O-CB 3.3Å; F29-D59 WeakPolarHBondContact O-CB 3.47Å; F29-A63 HydrophobicContact CB-CB 3.98Å; F29-A63 HydrophobicContact CG-CB 4.32Å; F29-N66 HydrophobicContact CD1-CB 4.3Å; F29-N66 HydrophobicContact CE1-CB 3.5Å; F29-N66 HydrophobicContact CZ-CB 3.98Å; F29-M67 HydrophobicContact CD2-CG 4.27Å; F29-M67 HydrophobicContact CE2-CG 3.67Å; F29-M67 HydrophobicContact CE2-SD 3.77Å; F29-M67 HydrophobicContact CZ-CG 3.97Å; F29-M67 HydrophobicContact CZ-SD 4.05Å
30G84Confident82.8Confident13 Ų1364 Ų6413%0.13435%0.35CS..SBendtrans162.5173.4176.600000113.3F26 I27 V32 D59F26-G30 PolarHBondContact O-N 2.84Å; I27-G30 PolarHBondContact O-N 2.83Å; G30-V32 PolarHBondContact O-N 2.77Å; G30-D59 WeakPolarHBondContact CA-OD2 3.22Å
31D82.8Confident81.7Confident111 Ų11163.3 Ų63.359%0.59434%0.344SS*.  trans-77.6117.7178.6-70.6-46.1000110.6E55D31-E55 PolarHBondContact O-N 2.97Å
32V85.9Confident80.9Confident26 Ų2669.6 Ų69.616%0.15837%0.37CS..EExtended strand (participates in β ladder)trans-84.6122.6179.6-178.10000109.1F26 G30 I35 I52 F54F26-V32 HydrophobicContact CB-CG2 4.02Å; G30-V32 PolarHBondContact O-N 2.77Å; V32-I35 HydrophobicContact CG1-CD1 3.95Å; V32-I35 HydrophobicContact CG1-CG1 3.5Å; V32-I35 VanDerWaalsContact CG1-CG1 3.5Å; V32-I52 HydrophobicContact CG1-CG2 3.61Å; V32-I52 HydrophobicContact CG2-CG2 4.11Å; V32-F54 HydrophobicContact CG2-CD1 4.39Å; V32-F54 HydrophobicContact CG2-CE1 3.9Å; V32-F54 HydrophobicContact CG2-CZ 4.09Å
33T84Confident80.1Confident89 Ų8973.2 Ų73.255%0.54639%0.392SS..EExtended strand (participates in β ladder)trans-84.4-44178.9-54.20000111.8E53 E55T33-E53 PolarHBondContact N-O 3.49Å; T33-E55 PolarHBondContact OG1-N 3.22Å
34D78.2Confident79.2Confident88 Ų8878 Ų7847%0.47142%0.415SS..EExtended strand (participates in β ladder)trans-149145.6-177.2-164.628.9000111.7E53D34-E53 HydrophobicContact CB-CB 4.19Å; D34-E53 PolarHBondContact N-O 3.28Å; D34-E53 PolarHBondContact O-N 3.16Å
35I82.8Confident78.6Confident16 Ų1679.5 Ų79.58%0.08241%0.41CS..EExtended strand (participates in β ladder)trans-129.1114.7176.7-58.4173.3000108.3E19 L22 H23 V32 I37 F51E19-I35 HydrophobicContact CG-CB 4.03Å; E19-I35 HydrophobicContact CG-CD1 4.15Å; E19-I35 HydrophobicContact CG-CG2 3.96Å; L22-I35 HydrophobicContact CD1-CG2 4.26Å; H23-I35 HydrophobicContact CB-CD1 3.73Å; V32-I35 HydrophobicContact CG1-CD1 3.95Å; V32-I35 HydrophobicContact CG1-CG1 3.5Å; V32-I35 VanDerWaalsContact CG1-CG1 3.5Å; I35-I37 HydrophobicContact CG2-CD1 4.41Å; I35-I37 HydrophobicContact CG2-CG1 4.05Å; I35-F51 WeakPolarHBondContact CA-O 3.47Å
36Q80.3Confident78.3Confident117 Ų11779.4 Ų79.455%0.54741%0.405SS..EExtended strand (participates in β ladder)trans-110.5115178.8-164.6-178.5900110.3P38 A50 F51Q36-P38 WeakPolarHBondContact O-CD 3.39Å; Q36-A50 CarbonylContact O-C 3.6Å; Q36-A50 WeakPolarHBondContact O-CA 3.15Å; Q36-F51 HydrophobicContact CB-CB 4.29Å; Q36-F51 PolarHBondContact N-O 2.97Å; Q36-F51 PolarHBondContact O-N 3.47Å
37I83.8Confident77.6Confident38 Ų3887.2 Ų87.220%0.19543%0.434CS..  trans-112.7102175.7-51.4178.1000108.7E19 L22 I35 I39 H46 A50E19-I37 HydrophobicContact CB-CD1 3.97Å; L22-I37 HydrophobicContact CD1-CD1 3.75Å; L22-I37 HydrophobicContact CD1-CG1 4.11Å; I35-I37 HydrophobicContact CG2-CD1 4.41Å; I35-I37 HydrophobicContact CG2-CG1 4.05Å; I37-I39 PolarHBondContact O-N 2.96Å; I37-H46 HydrophobicContact CG2-CB 3.26Å; I37-A50 HydrophobicContact CG1-CB 3.98Å
38P77.5Confident77.4Confident32 Ų3283.9 Ų83.921%0.20842%0.422CS..  trans-63.9110.8174.7-26.839000111.1Q36 R47 F49 F51Q36-P38 WeakPolarHBondContact O-CD 3.39Å; P38-R47 WeakPolarHBondContact O-CG 3.25Å; P38-R47 PolarHBondContact O-N 3.15Å; P38-F49 HydrophobicContact CB-CE2 4.17Å; P38-F49 HydrophobicContact CB-CZ 4.25Å; P38-F49 HydrophobicContact CG-CD2 4.36Å; P38-F49 HydrophobicContact CG-CE2 3.7Å; P38-F49 HydrophobicContact CG-CZ 4.28Å; P38-F51 HydrophobicContact CG-CD2 4.45Å; P38-F51 HydrophobicContact CG-CE2 4.28Å
39I78.5Confident77.3Confident116 Ų11681 Ų8160%0.59540%0.4SS*.EExtended strand (participates in β ladder)trans-84.4143.5172.760.1173.6000111I37 H46I37-I39 PolarHBondContact O-N 2.96Å; I39-H46 HydrophobicContact CG2-CB 4.41Å
40D74.3Confident77.4Confident65 Ų6578.4 Ų78.435%0.34839%0.388SS..EExtended strand (participates in β ladder)trans-87.2119.2170.4-1719.2000108.9E42 T43 E44 K45 R47D40-E42 PolarHBondContact O-N 3.19Å; D40-T43 PolarHBondContact O-N 3.44Å; D40-E44 PolarHBondContact O-N 3.28Å; D40-K45 WeakPolarHBondContact CB-O 3.25Å; D40-K45 PolarHBondContact N-O 2.87Å; D40-R47 HydrophobicContact CB-CG 3.99Å
41Y61.4Low77.6Confident163 Ų16380.8 Ų80.864%0.63940%0.395SS*.THydrogen-bonded Turntrans-70.7-18.4-171.2-171.7-97.6000112.7Y216Y41-Y216 PolarHBondContact OH-O 2.7Å
42E68.5Low77.8Confident179 Ų17975.5 Ų75.584%0.83637%0.367SS*.THydrogen-bonded Turntrans-83.8-25.3176.6-68.8-171.9161.500113.3D40D40-E42 PolarHBondContact O-N 3.19Å
43T67.6Low77.7Confident77 Ų7777.9 Ų77.947%0.47238%0.376SS..THydrogen-bonded Turntrans-116.5-4.5-173.1600000113.8D40 K45D40-T43 PolarHBondContact O-N 3.44Å; T43-K45 WeakPolarHBondContact O-CG 3.45Å; T43-K45 PolarHBondContact O-N 2.95Å
44E65.5Low77.8Confident181 Ų18173.7 Ų73.785%0.84635%0.35SS*.THydrogen-bonded Turntrans52.715.9-170.9-68.1-173.4143.100113.7D40D40-E44 PolarHBondContact O-N 3.28Å
45K72Confident78.1Confident94 Ų9474.8 Ų74.841%0.40935%0.353SS..EExtended strand (participates in β ladder)trans-109.5149.3-177.8-71.7174.8179-166.20110.3E15 D40 T43E15-K45 HydrophobicContact CG-CD 4.42Å; E15-K45 IonicContact OE1-NZ 3.49Å; E15-K45 WeakPolarHBondContact OE2-CE 3.45Å; E15-K45 IonicContact OE2-NZ 3.77Å; E15-K45 PolarHBondContact OE2-NZ 3.46Å; D40-K45 WeakPolarHBondContact CB-O 3.25Å; D40-K45 PolarHBondContact N-O 2.87Å; T43-K45 WeakPolarHBondContact O-CG 3.45Å; T43-K45 PolarHBondContact O-N 2.95Å
46H77.9Confident78.1Confident22 Ų2278.5 Ų78.510%0.10237%0.372CS..EExtended strand (participates in β ladder)trans-72.2146.7175.261.684.7000111.6T14 E15 V17 I37 I39 G48T14-H46 VanDerWaalsContact C-CE1 3.48Å; T14-H46 PolarHBondContact O-CE1 3.47Å; T14-H46 PolarHBondContact O-NE2 2.92Å; E15-H46 VanDerWaalsContact C-NE2 3.31Å; E15-H46 VanDerWaalsContact CA-NE2 3.27Å; E15-H46 WeakPolarHBondContact CA-NE2 3.28Å; E15-H46 PolarHBondContact O-NE2 3.19Å; V17-H46 PolarHBondContact O-NE2 2.95Å; I37-H46 HydrophobicContact CG2-CB 3.26Å; I39-H46 HydrophobicContact CG2-CB 4.41Å; H46-G48 PolarHBondContact ND1-N 3.45Å; H46-G48 PolarHBondContact O-N 3.44Å
47R70.1Confident78.1Confident163 Ų16374.1 Ų74.162%0.61536%0.356SS*.  trans-71.718-174.5-65.1177.665.5-174.10.8114.6P38 D40 F49P38-R47 WeakPolarHBondContact O-CG 3.25Å; P38-R47 PolarHBondContact O-N 3.15Å; D40-R47 HydrophobicContact CB-CG 3.99Å; R47-F49 VanDerWaalsContact C-N 3.31Å; R47-F49 HydrophobicContact CB-CD1 3.91Å; R47-F49 HydrophobicContact CB-CE1 3.4Å; R47-F49 VanDerWaalsContact CB-CE1 3.4Å; R47-F49 HydrophobicContact CB-CZ 4.07Å; R47-F49 HydrophobicContact CG-CE1 4.47Å; R47-F49 VanDerWaalsContact O-CD1 3.24Å; R47-F49 WeakPolarHBondContact O-CD1 3.15Å; R47-F49 PolarHBondContact O-N 2.89Å
48G79.1Confident78.1Confident19 Ų1980 Ų8020%0.19638%0.383CS..SBendtrans72.916.9-178.900000115G12 L13 H46G12-G48 PolarHBondContact N-O 3.02Å; L13-G48 PolarHBondContact N-O 3.1Å; L13-G48 WeakPolarHBondContact O-CA 3.3Å; H46-G48 PolarHBondContact ND1-N 3.45Å; H46-G48 PolarHBondContact O-N 3.44Å
49F84.7Confident78.5Confident37 Ų3780.1 Ų80.116%0.16238%0.382CS..EExtended strand (participates in β ladder)trans-146.8156.2172.663.3-89.5000111.8Y9 V10 P38 R47 F51Y9-F49 HydrophobicContact CE2-CB 3.71Å; Y9-F49 AromaticContact CE2-CD2 3.8Å; Y9-F49 HydrophobicContact CE2-CD2 3.8Å; Y9-F49 AromaticContact CE2-CG 3.9Å; Y9-F49 HydrophobicContact CE2-CG 3.9Å; V10-F49 CarbonylContact O-C 3.56Å; V10-F49 WeakPolarHBondContact O-CA 3.46Å; V10-F49 WeakPolarHBondContact O-CB 3.47Å; P38-F49 HydrophobicContact CB-CE2 4.17Å; P38-F49 HydrophobicContact CB-CZ 4.25Å; P38-F49 HydrophobicContact CG-CD2 4.36Å; P38-F49 HydrophobicContact CG-CE2 3.7Å; P38-F49 HydrophobicContact CG-CZ 4.28Å; R47-F49 VanDerWaalsContact C-N 3.31Å; R47-F49 HydrophobicContact CB-CD1 3.91Å; R47-F49 HydrophobicContact CB-CE1 3.4Å; R47-F49 VanDerWaalsContact CB-CE1 3.4Å; R47-F49 HydrophobicContact CB-CZ 4.07Å; R47-F49 HydrophobicContact CG-CE1 4.47Å; R47-F49 VanDerWaalsContact O-CD1 3.24Å; R47-F49 WeakPolarHBondContact O-CD1 3.15Å; R47-F49 PolarHBondContact O-N 2.89Å; F49-F51 AromaticContact CD2-CE2 3.94Å; F49-F51 HydrophobicContact CD2-CE2 3.94Å; F49-F51 HydrophobicContact CD2-CZ 4.31Å; F49-F51 AromaticContact CE2-CE2 3.8Å; F49-F51 HydrophobicContact CE2-CE2 3.8Å; F49-F51 HydrophobicContact CE2-CZ 4.26Å
50A86.4Confident78.8Confident0 Ų074.7 Ų74.70%035%0.354CS..EExtended strand (participates in β ladder)trans-139159.5177.700000110.5V10 L13 L22 Q36 I37V10-A50 PolarHBondContact N-O 3.31Å; V10-A50 PolarHBondContact O-N 2.71Å; L13-A50 HydrophobicContact CD1-CB 3.59Å; L22-A50 HydrophobicContact CD1-CB 3.67Å; Q36-A50 CarbonylContact O-C 3.6Å; Q36-A50 WeakPolarHBondContact O-CA 3.15Å; I37-A50 HydrophobicContact CG1-CB 3.98Å
51F88.1Confident79.2Confident64 Ų6473.9 Ų73.928%0.28136%0.356SS..EExtended strand (participates in β ladder)trans-114.3135.2168.7-59.6-86.1000109.1V7 L8 Y9 I35 Q36 P38 F49 A82V7-F51 HydrophobicContact CG1-CB 4.25Å; V7-F51 HydrophobicContact CG1-CD1 4.45Å; L8-F51 VanDerWaalsContact O-CA 3.28Å; L8-F51 WeakPolarHBondContact O-CA 3.33Å; Y9-F51 HydrophobicContact CD2-CD1 4.17Å; Y9-F51 AromaticContact CD2-CE1 3.57Å; Y9-F51 HydrophobicContact CD2-CE1 3.57Å; Y9-F51 AromaticContact CD2-CZ 3.91Å; Y9-F51 HydrophobicContact CD2-CZ 3.91Å; Y9-F51 HydrophobicContact CE2-CE1 4.45Å; Y9-F51 HydrophobicContact CE2-CZ 4.36Å; Y9-F51 HydrophobicContact CG-CE1 4.4Å; I35-F51 WeakPolarHBondContact CA-O 3.47Å; Q36-F51 HydrophobicContact CB-CB 4.29Å; Q36-F51 PolarHBondContact N-O 2.97Å; Q36-F51 PolarHBondContact O-N 3.47Å; P38-F51 HydrophobicContact CG-CD2 4.45Å; P38-F51 HydrophobicContact CG-CE2 4.28Å; F49-F51 AromaticContact CD2-CE2 3.94Å; F49-F51 HydrophobicContact CD2-CE2 3.94Å; F49-F51 HydrophobicContact CD2-CZ 4.31Å; F49-F51 AromaticContact CE2-CE2 3.8Å; F49-F51 HydrophobicContact CE2-CE2 3.8Å; F49-F51 HydrophobicContact CE2-CZ 4.26Å; F51-A82 HydrophobicContact CD1-CB 4.17Å; F51-A82 HydrophobicContact CE1-CB 4.41Å
52I87.1Confident80.3Confident0 Ų068 Ų680%034%0.341CS..EExtended strand (participates in β ladder)trans-125.7124-179.1-56.1-178.4000107.6V7 L8 V10 F26 V32 F54V7-I52 CarbonylContact C-O 3.59Å; V7-I52 WeakPolarHBondContact CA-O 3.24Å; L8-I52 PolarHBondContact N-O 2.73Å; L8-I52 PolarHBondContact O-N 2.75Å; V10-I52 HydrophobicContact CG2-CD1 3.78Å; V10-I52 HydrophobicContact CG2-CG1 4.16Å; F26-I52 HydrophobicContact CD1-CD1 4.15Å; F26-I52 HydrophobicContact CD2-CD1 3.3Å; F26-I52 HydrophobicContact CE1-CD1 4.18Å; F26-I52 HydrophobicContact CE2-CD1 3.37Å; F26-I52 HydrophobicContact CG-CD1 3.73Å; F26-I52 HydrophobicContact CZ-CD1 3.82Å; V32-I52 HydrophobicContact CG1-CG2 3.61Å; V32-I52 HydrophobicContact CG2-CG2 4.11Å; I52-F54 HydrophobicContact CB-CE2 4.49Å; I52-F54 HydrophobicContact CG2-CD2 4.15Å; I52-F54 HydrophobicContact CG2-CE2 3.69Å; I52-F54 HydrophobicContact CG2-CZ 4.28Å
53E84.8Confident81.2Confident75 Ų7559.4 Ų59.435%0.3530%0.301SS..EExtended strand (participates in β ladder)trans-101.6125.3174.9-175.2166.9-158.700110.1V7 T33 D34V7-E53 HydrophobicContact CG2-CB 4.25Å; V7-E53 HydrophobicContact CG2-CG 4.11Å; T33-E53 PolarHBondContact N-O 3.49Å; D34-E53 HydrophobicContact CB-CB 4.19Å; D34-E53 PolarHBondContact N-O 3.28Å; D34-E53 PolarHBondContact O-N 3.16Å
54F86Confident82.1Confident1 Ų156.9 Ų56.90%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-97.6150.9173.9-77.9-92.1000111.4R6 L8 F26 V32 I52 L56 D59 A60 A63R6-F54 PolarHBondContact O-N 3.15Å; L8-F54 HydrophobicContact CD1-CD2 4.07Å; L8-F54 HydrophobicContact CD1-CE2 3.63Å; L8-F54 HydrophobicContact CG-CD2 4.28Å; L8-F54 HydrophobicContact CG-CE2 4.26Å; F26-F54 HydrophobicContact CB-CZ 4.02Å; F26-F54 HydrophobicContact CD1-CE2 4.3Å; F26-F54 AromaticContact CD1-CZ 3.9Å; F26-F54 HydrophobicContact CD1-CZ 3.9Å; F26-F54 HydrophobicContact CG-CZ 4.38Å; V32-F54 HydrophobicContact CG2-CD1 4.39Å; V32-F54 HydrophobicContact CG2-CE1 3.9Å; V32-F54 HydrophobicContact CG2-CZ 4.09Å; I52-F54 HydrophobicContact CB-CE2 4.49Å; I52-F54 HydrophobicContact CG2-CD2 4.15Å; I52-F54 HydrophobicContact CG2-CE2 3.69Å; I52-F54 HydrophobicContact CG2-CZ 4.28Å; F54-L56 VanDerWaalsContact C-N 3.32Å; F54-L56 WeakPolarHBondContact CB-O 3.48Å; F54-D59 HydrophobicContact CD1-CB 3.9Å; F54-D59 HydrophobicContact CE1-CB 4.49Å; F54-D59 HydrophobicContact CG-CB 4.42Å; F54-A60 HydrophobicContact CB-CB 4.27Å; F54-A60 HydrophobicContact CD2-CB 4.13Å; F54-A60 HydrophobicContact CG-CB 4.38Å; F54-A63 HydrophobicContact CE2-CB 4.19Å; F54-A63 HydrophobicContact CZ-CB 4.01Å
55E82.9Confident83Confident111 Ų11154.7 Ų54.752%0.51928%0.279SS..SBendtrans-63.2-43.3173.2-175.7171.1-172.500110.9D31 T33D31-E55 PolarHBondContact O-N 2.97Å; T33-E55 PolarHBondContact OG1-N 3.22Å
56L83Confident83.5Confident94 Ų9455.1 Ų55.149%0.49229%0.286SS..SBendtrans-109.2143-179.1-58.3176.8000111.8F54 D59 A60F54-L56 VanDerWaalsContact C-N 3.32Å; F54-L56 WeakPolarHBondContact CB-O 3.48Å; L56-D59 HydrophobicContact CB-CB 4.31Å; L56-A60 PolarHBondContact O-N 2.96Å
57A81.2Confident83.8Confident26 Ų2655 Ų5522%0.21529%0.285CS..Hα-helixtrans-81.5-17.3178.500000113.8T4 R6 A61T4-A57 VanDerWaalsContact CB-CB 3.5Å; T4-A57 HydrophobicContact CG2-CB 3.96Å; R6-A57 HydrophobicContact CG-CB 4.14Å; A57-A61 PolarHBondContact O-N 3.41Å
58E84.1Confident84.5Confident162 Ų16250.4 Ų50.476%0.75727%0.273SS*.Hα-helixtrans-70.7-43.5173.3-64.5-176.2171.200110A60 A61 A62E58-A60 VanDerWaalsContact C-N 3.32Å; E58-A60 PolarHBondContact O-N 3.16Å; E58-A61 WeakPolarHBondContact O-CB 3.47Å; E58-A61 PolarHBondContact O-N 3.4Å; E58-A61 VanDerWaalsContact O-N 3.1Å; E58-A62 PolarHBondContact O-N 2.77Å
59D86.1Confident84.6Confident34 Ų3456.6 Ų56.618%0.18230%0.297CS..Hα-helixtrans-59.6-42.1174.1-61.82.6000111.7F29 G30 F54 L56 A61 A62 A63F29-D59 VanDerWaalsContact O-CB 3.3Å; F29-D59 WeakPolarHBondContact O-CB 3.47Å; G30-D59 WeakPolarHBondContact CA-OD2 3.22Å; F54-D59 HydrophobicContact CD1-CB 3.9Å; F54-D59 HydrophobicContact CE1-CB 4.49Å; F54-D59 HydrophobicContact CG-CB 4.42Å; L56-D59 HydrophobicContact CB-CB 4.31Å; D59-A61 VanDerWaalsContact C-N 3.29Å; D59-A61 PolarHBondContact O-N 3.44Å; D59-A62 PolarHBondContact O-N 3.42Å; D59-A63 WeakPolarHBondContact O-CB 3.35Å; D59-A63 PolarHBondContact O-N 3.21Å
60A83.3Confident84.5Confident2 Ų256.2 Ų56.22%0.01730%0.299CS..Hα-helixtrans-61-37.7175.600000112.3L8 F54 L56 E58 I64L8-A60 HydrophobicContact CD1-CB 4.4Å; L8-A60 WeakPolarHBondContact CD1-O 3.43Å; L8-A60 HydrophobicContact CD2-CB 3.96Å; L8-A60 HydrophobicContact CG-CB 4.17Å; F54-A60 HydrophobicContact CB-CB 4.27Å; F54-A60 HydrophobicContact CD2-CB 4.13Å; F54-A60 HydrophobicContact CG-CB 4.38Å; L56-A60 PolarHBondContact O-N 2.96Å; E58-A60 VanDerWaalsContact C-N 3.32Å; E58-A60 PolarHBondContact O-N 3.16Å; A60-I64 WeakPolarHBondContact O-CD1 3.43Å; A60-I64 VanDerWaalsContact O-CG1 3.32Å; A60-I64 WeakPolarHBondContact O-CG1 3.45Å; A60-I64 PolarHBondContact O-N 2.89Å
61A84.1Confident84.1Confident47 Ų4763.5 Ų63.539%0.38833%0.333SS..Hα-helixtrans-70.7-43.7176.700000111.7A57 E58 D59 A63 I64 D65A57-A61 PolarHBondContact O-N 3.41Å; E58-A61 WeakPolarHBondContact O-CB 3.47Å; E58-A61 PolarHBondContact O-N 3.4Å; E58-A61 VanDerWaalsContact O-N 3.1Å; D59-A61 VanDerWaalsContact C-N 3.29Å; D59-A61 PolarHBondContact O-N 3.44Å; A61-A63 VanDerWaalsContact C-N 3.29Å; A61-A63 PolarHBondContact O-N 3.37Å; A61-I64 PolarHBondContact O-N 2.67Å; A61-I64 VanDerWaalsContact O-N 3.15Å; A61-D65 PolarHBondContact O-N 2.96Å; A61-D65 VanDerWaalsContact O-N 3.11Å
62A84.7Confident83.7Confident39 Ų3961.7 Ų61.732%0.32233%0.326SS..Hα-helixtrans-61.3-38.5175.700000112E58 D59 N66E58-A62 PolarHBondContact O-N 2.77Å; D59-A62 PolarHBondContact O-N 3.42Å; A62-N66 PolarHBondContact O-N 3.28Å; A62-N66 PolarHBondContact O-ND2 3.19Å
63A86.1Confident82.8Confident0 Ų067 Ų670%035%0.349CS..Hα-helixtrans-64.8-38.8174.800000112.1L8 F26 F29 F54 D59 A61 M67L8-A63 HydrophobicContact CD1-CB 3.75Å; F26-A63 HydrophobicContact CD1-CB 4.22Å; F26-A63 HydrophobicContact CE1-CB 4.35Å; F29-A63 HydrophobicContact CB-CB 3.98Å; F29-A63 HydrophobicContact CG-CB 4.32Å; F54-A63 HydrophobicContact CE2-CB 4.19Å; F54-A63 HydrophobicContact CZ-CB 4.01Å; D59-A63 WeakPolarHBondContact O-CB 3.35Å; D59-A63 PolarHBondContact O-N 3.21Å; A61-A63 VanDerWaalsContact C-N 3.29Å; A61-A63 PolarHBondContact O-N 3.37Å; A63-M67 WeakPolarHBondContact O-CB 3.37Å; A63-M67 PolarHBondContact O-N 2.87Å
64I86.8Confident82.1Confident24 Ų2466.9 Ų66.912%0.12337%0.368CS..Hα-helixtrans-62.6-50.1175.9-68.9157.7000110.9L8 A60 A61 N66 N68 V79 I81L8-I64 HydrophobicContact CD1-CG1 4.16Å; L8-I64 HydrophobicContact CD2-CD1 3.41Å; L8-I64 VanDerWaalsContact CD2-CD1 3.41Å; L8-I64 HydrophobicContact CD2-CG1 3.56Å; L8-I64 HydrophobicContact CG-CG1 4.49Å; A60-I64 WeakPolarHBondContact O-CD1 3.43Å; A60-I64 VanDerWaalsContact O-CG1 3.32Å; A60-I64 WeakPolarHBondContact O-CG1 3.45Å; A60-I64 PolarHBondContact O-N 2.89Å; A61-I64 PolarHBondContact O-N 2.67Å; A61-I64 VanDerWaalsContact O-N 3.15Å; I64-N66 VanDerWaalsContact C-N 3.26Å; I64-N66 PolarHBondContact O-N 2.77Å; I64-N68 HydrophobicContact CG2-CB 4.5Å; I64-N68 WeakPolarHBondContact O-CB 3.45Å; I64-N68 PolarHBondContact O-N 2.89Å; I64-V79 HydrophobicContact CG1-CG1 3.91Å; I64-I81 HydrophobicContact CD1-CB 4.44Å; I64-I81 HydrophobicContact CD1-CD1 4.27Å; I64-I81 HydrophobicContact CD1-CG1 3.34Å
65D84.3Confident81.7Confident134 Ų13473.6 Ų73.672%0.71739%0.393SS*.Hα-helixtrans-66.7-29.8-173.1-70.2-20.7000112.5A61A61-D65 PolarHBondContact O-N 2.96Å; A61-D65 VanDerWaalsContact O-N 3.11Å
66N83.5Confident81.6Confident104 Ų10471.9 Ų71.956%0.55639%0.391SS*.Hα-helixtrans-95.1-28.4-179.1-68.9-72.7000114.2F29 A62 I64F29-N66 HydrophobicContact CD1-CB 4.3Å; F29-N66 HydrophobicContact CE1-CB 3.5Å; F29-N66 HydrophobicContact CZ-CB 3.98Å; A62-N66 PolarHBondContact O-N 3.28Å; A62-N66 PolarHBondContact O-ND2 3.19Å; I64-N66 VanDerWaalsContact C-N 3.26Å; I64-N66 PolarHBondContact O-N 2.77Å
67M83.3Confident81.8Confident20 Ų2067.5 Ų67.510%0.09937%0.367CS..Hα-helixtrans-105.5-15.2-175.1-64.6-72.3-80.500114A25 F26 F29 A63 E69 S70 L72 I77 V79A25-M67 HydrophobicContact CB-CE 4.07Å; F26-M67 HydrophobicContact CE1-CB 4.19Å; F26-M67 HydrophobicContact CE1-CE 4.31Å; F26-M67 HydrophobicContact CE1-CG 4.04Å; F26-M67 HydrophobicContact CE2-CE 4.1Å; F26-M67 HydrophobicContact CZ-CB 4.39Å; F26-M67 HydrophobicContact CZ-CE 3.93Å; F26-M67 HydrophobicContact CZ-CG 4.43Å; F29-M67 HydrophobicContact CD2-CG 4.27Å; F29-M67 HydrophobicContact CE2-CG 3.67Å; F29-M67 HydrophobicContact CE2-SD 3.77Å; F29-M67 HydrophobicContact CZ-CG 3.97Å; F29-M67 HydrophobicContact CZ-SD 4.05Å; A63-M67 WeakPolarHBondContact O-CB 3.37Å; A63-M67 PolarHBondContact O-N 2.87Å; M67-E69 PolarHBondContact O-N 3.31Å; M67-S70 PolarHBondContact O-N 2.97Å; M67-S70 PolarHBondContact O-OG 2.88Å; M67-L72 HydrophobicContact CE-CD1 4.09Å; M67-I77 HydrophobicContact CB-CD1 4.26Å; M67-I77 HydrophobicContact CE-CD1 4.12Å; M67-I77 WeakPolarHBondContact O-CD1 3.17Å; M67-V79 HydrophobicContact CB-CG2 3.85Å
68N84.7Confident81.9Confident66 Ų6674.9 Ų74.935%0.35339%0.39SS..THydrogen-bonded Turntrans-66.4125.5173.4-17547.5000109.8I64 S70 V79I64-N68 HydrophobicContact CG2-CB 4.5Å; I64-N68 WeakPolarHBondContact O-CB 3.45Å; I64-N68 PolarHBondContact O-N 2.89Å; N68-S70 VanDerWaalsContact C-N 3.27Å; N68-S70 PolarHBondContact O-N 3.27Å; N68-V79 HydrophobicContact CB-CB 4.24Å; N68-V79 PolarHBondContact OD1-N 2.82Å; N68-V79 VanDerWaalsContact OD1-N 3.12Å; N68-V79 PolarHBondContact OD1-O 3.21Å
69E81.9Confident82Confident148 Ų14867.2 Ų67.269%0.69235%0.354SS*.THydrogen-bonded Turntrans71.411.6-174.6-49.2-176.3166.800115.3M67 I77M67-E69 PolarHBondContact O-N 3.31Å; E69-I77 VanDerWaalsContact CA-O 3.28Å; E69-I77 WeakPolarHBondContact CA-O 3.45Å; E69-I77 PolarHBondContact N-O 3.2Å
70S81.7Confident81.9Confident29 Ų2970.5 Ų70.520%0.20337%0.372CS..  trans-72.2153.4170.576.50000111.5M67 N68 T76 I77M67-S70 PolarHBondContact O-N 2.97Å; M67-S70 PolarHBondContact O-OG 2.88Å; N68-S70 VanDerWaalsContact C-N 3.27Å; N68-S70 PolarHBondContact O-N 3.27Å; S70-T76 WeakPolarHBondContact O-CA 3.41Å; S70-I77 VanDerWaalsContact O-CG1 3.24Å; S70-I77 WeakPolarHBondContact O-CG1 3.46Å; S70-I77 PolarHBondContact O-N 2.86Å; S70-I77 WeakPolarHBondContact OG-CD1 3.26Å; S70-I77 WeakPolarHBondContact OG-CG1 3.27Å
71E79.5Confident81.9Confident154 Ų15473.9 Ų73.972%0.7239%0.389SS*.EExtended strand (participates in β ladder)trans-91.5118.1176.5-70.1-171.7163.200110.7T76E71-T76 HydrophobicContact CG-CG2 4.26Å
72L77.8Confident81.4Confident26 Ų2672 Ų7214%0.13637%0.374CS..EExtended strand (participates in β ladder)trans-115.7119.8168.3-93.1156.6000107.9M67 G74 R75 I77M67-L72 HydrophobicContact CE-CD1 4.09Å; L72-G74 VanDerWaalsContact C-N 3.27Å; L72-G74 PolarHBondContact O-N 3.09Å; L72-R75 PolarHBondContact N-O 2.88Å; L72-R75 PolarHBondContact O-N 2.9Å; L72-R75 VanDerWaalsContact O-N 3.12Å; L72-R75 VanDerWaalsContact O-O 3.1Å; L72-I77 HydrophobicContact CB-CG2 3.94Å; L72-I77 HydrophobicContact CD1-CD1 3.62Å; L72-I77 HydrophobicContact CD1-CG1 4.1Å; L72-I77 HydrophobicContact CD1-CG2 4.04Å
73F69.6Low80.5Confident111 Ų11179.5 Ų79.549%0.48740%0.399SS..THydrogen-bonded Turntrans53.540.7178.9-65.9-96000113.6T14 V17 V21 R75T14-F73 HydrophobicContact CG2-CB 4.11Å; T14-F73 WeakPolarHBondContact OG1-CB 3.29Å; V17-F73 HydrophobicContact CG2-CD2 3.86Å; V17-F73 HydrophobicContact CG2-CE2 4.28Å; V21-F73 HydrophobicContact CG1-CE2 3.66Å; V21-F73 HydrophobicContact CG1-CZ 4.14Å; F73-R75 VanDerWaalsContact C-N 3.27Å; F73-R75 PolarHBondContact O-N 3.5Å
74G70.6Confident79Confident72 Ų7283.6 Ų83.674%0.74243%0.425SS*.THydrogen-bonded Turntrans74.711.317700000114.8L72L72-G74 VanDerWaalsContact C-N 3.27Å; L72-G74 PolarHBondContact O-N 3.09Å
75R77.1Confident76.8Confident142 Ų14290.8 Ų90.854%0.53646%0.461SS..EExtended strand (participates in β ladder)trans-124.9135.3173.3-159168.6-171.3169.23.7110G12 T14 L72 F73 I77G12-R75 WeakPolarHBondContact O-CD 3.48Å; T14-R75 HydrophobicContact CG2-CB 3.44Å; T14-R75 VanDerWaalsContact CG2-CB 3.44Å; T14-R75 HydrophobicContact CG2-CG 4.31Å; L72-R75 PolarHBondContact N-O 2.88Å; L72-R75 PolarHBondContact O-N 2.9Å; L72-R75 VanDerWaalsContact O-N 3.12Å; L72-R75 VanDerWaalsContact O-O 3.1Å; F73-R75 VanDerWaalsContact C-N 3.27Å; F73-R75 PolarHBondContact O-N 3.5Å; R75-I77 PolarHBondContact O-N 3.01Å
76T81.2Confident74.6Confident76 Ų7694 Ų9447%0.46646%0.463SS..EExtended strand (participates in β ladder)trans-70.3123.2175.754.70000109.8S70 E71S70-T76 WeakPolarHBondContact O-CA 3.41Å; E71-T76 HydrophobicContact CG-CG2 4.26Å
77I85.9Confident72.9Confident1 Ų196.3 Ų96.31%0.00547%0.473CS..  trans-88151.8173.657.1149000111.1V10 G11 L13 M67 E69 S70 L72 R75 V79V10-I77 HydrophobicContact CG1-CB 4.49Å; V10-I77 HydrophobicContact CG1-CD1 4.28Å; G11-I77 CarbonylContact O-C 3.55Å; G11-I77 WeakPolarHBondContact O-CA 3.36Å; L13-I77 HydrophobicContact CD2-CG2 3.93Å; M67-I77 HydrophobicContact CB-CD1 4.26Å; M67-I77 HydrophobicContact CE-CD1 4.12Å; M67-I77 WeakPolarHBondContact O-CD1 3.17Å; E69-I77 VanDerWaalsContact CA-O 3.28Å; E69-I77 WeakPolarHBondContact CA-O 3.45Å; E69-I77 PolarHBondContact N-O 3.2Å; S70-I77 VanDerWaalsContact O-CG1 3.24Å; S70-I77 WeakPolarHBondContact O-CG1 3.46Å; S70-I77 PolarHBondContact O-N 2.86Å; S70-I77 WeakPolarHBondContact OG-CD1 3.26Å; S70-I77 WeakPolarHBondContact OG-CG1 3.27Å; L72-I77 HydrophobicContact CB-CG2 3.94Å; L72-I77 HydrophobicContact CD1-CD1 3.62Å; L72-I77 HydrophobicContact CD1-CG1 4.1Å; L72-I77 HydrophobicContact CD1-CG2 4.04Å; R75-I77 PolarHBondContact O-N 3.01Å; I77-V79 HydrophobicContact CD1-CG2 3.78Å
78R83.6Confident70.8Confident181 Ų181103.8 Ų103.868%0.68351%0.505SS*.EExtended strand (participates in β ladder)trans-117.5115176.5-68.9-176.9178.6179.4-0.9108.7V10 G11V10-R78 CarbonylContact C-O 3.55Å; V10-R78 WeakPolarHBondContact CA-O 3.5Å; G11-R78 PolarHBondContact N-O 2.89Å; G11-R78 PolarHBondContact O-N 3.37Å
79V86.9Confident68.5Low2 Ų2109.9 Ų109.91%0.01253%0.531CS..EExtended strand (participates in β ladder)trans-108.5122.1178.5-170.50000108L8 Y9 V10 F26 I64 M67 N68 I77L8-V79 HydrophobicContact CB-CG1 4.25Å; L8-V79 HydrophobicContact CD1-CG1 3.9Å; Y9-V79 CarbonylContact O-C 3.57Å; Y9-V79 WeakPolarHBondContact O-CA 3.34Å; V10-V79 HydrophobicContact CG1-CG2 4.33Å; V10-V79 HydrophobicContact CG2-CG1 4.32Å; V10-V79 HydrophobicContact CG2-CG2 4.28Å; F26-V79 HydrophobicContact CZ-CG2 4.38Å; I64-V79 HydrophobicContact CG1-CG1 3.91Å; M67-V79 HydrophobicContact CB-CG2 3.85Å; N68-V79 HydrophobicContact CB-CB 4.24Å; N68-V79 PolarHBondContact OD1-N 2.82Å; N68-V79 VanDerWaalsContact OD1-N 3.12Å; N68-V79 PolarHBondContact OD1-O 3.21Å; I77-V79 HydrophobicContact CD1-CG2 3.78Å
80N84Confident66.5Low103 Ų103106.3 Ų106.355%0.55154%0.535SS*.EExtended strand (participates in β ladder)trans-137.8158.4177-160.7-14.8000109.5Y9 A82Y9-N80 PolarHBondContact N-O 3.37Å; Y9-N80 PolarHBondContact O-N 3.11Å; N80-A82 PolarHBondContact O-N 3.01Å; N80-A82 VanDerWaalsContact O-N 3.16Å
81I83.8Confident64.2Low72 Ų72110.3 Ų110.337%0.36956%0.563SS.*EExtended strand (participates in β ladder)trans-61.2122.6171.3-56.2172.4000108.1K5 I64 K83K5-I81 HydrophobicContact CB-CG2 3.47Å; K5-I81 VanDerWaalsContact CB-CG2 3.47Å; K5-I81 HydrophobicContact CD-CG2 3.41Å; K5-I81 VanDerWaalsContact CD-CG2 3.41Å; K5-I81 HydrophobicContact CG-CG2 4.07Å; I64-I81 HydrophobicContact CD1-CB 4.44Å; I64-I81 HydrophobicContact CD1-CD1 4.27Å; I64-I81 HydrophobicContact CD1-CG1 3.34Å; I81-K83 PolarHBondContact O-N 3.39Å
82A73.4Confident62.6Low9 Ų9108.6 Ų108.67%0.07457%0.568CS.*PPolyproline II helixtrans-62.1134.3176.600000108.7V7 F51 N80 P84V7-A82 HydrophobicContact CB-CB 4.01Å; V7-A82 HydrophobicContact CG1-CB 3.73Å; V7-A82 VanDerWaalsContact O-CB 3.26Å; V7-A82 WeakPolarHBondContact O-CB 3.23Å; V7-A82 PolarHBondContact O-N 2.85Å; F51-A82 HydrophobicContact CD1-CB 4.17Å; F51-A82 HydrophobicContact CE1-CB 4.41Å; N80-A82 PolarHBondContact O-N 3.01Å; N80-A82 VanDerWaalsContact O-N 3.16Å; A82-P84 WeakPolarHBondContact O-CD 3.34Å
83K65.6Low60.5Low196 Ų196117.1 Ų117.185%0.85260%0.598SS**PPolyproline II helixtrans-61124.2166.5-71.3179.5-178173.50105.8I81 M85I81-K83 PolarHBondContact O-N 3.39Å; K83-M85 PolarHBondContact O-N 2.77Å
84P52.8Low58.9Low86 Ų86117.6 Ų117.656%0.55861%0.612SS**PPolyproline II helixtrans-55.3136.517324.1-32.1000106.5A82 R86A82-P84 WeakPolarHBondContact O-CD 3.34Å; P84-R86 PolarHBondContact O-N 2.86Å
85M41.7Very low57.3Low175 Ų175121.2 Ų121.286%0.86262%0.62SS**  trans-59.595.2169.6-163.1158.581.600106.2K83 I87K83-M85 PolarHBondContact O-N 2.77Å; M85-I87 PolarHBondContact O-N 3.24Å
86R37.9Very low55.8Low202 Ų202124.5 Ų124.576%0.76263%0.632SS**  trans-66.793.7174.2-90.4-178.883.71695.3105.7P84 K88P84-R86 PolarHBondContact O-N 2.86Å; R86-K88 PolarHBondContact O-N 3.02Å
87I48Very low53.8Low151 Ų151126 Ų12677%0.77465%0.646SS**  trans-57.8100.8146.9-60.2171.6000103.8M85 E89M85-I87 PolarHBondContact O-N 3.24Å; I87-E89 PolarHBondContact O-N 2.8Å
88K38.9Very low51.3Low177 Ų177133.1 Ų133.177%0.7768%0.684SS**  trans-65.6104.9-179.2-85.5-174.6-177.9177.50108.5R86 G90R86-K88 PolarHBondContact O-N 3.02Å; K88-G90 PolarHBondContact O-N 3.41Å
89E36.1Very low49.5Very low194 Ų194130.2 Ų130.291%0.90768%0.682SS**  trans-66.1119.5162.2-142.4174.5174.700109I87I87-E89 PolarHBondContact O-N 2.8Å
90G39.4Very low47.5Very low74 Ų74135.5 Ų135.576%0.76371%0.71SS**  trans68.291.9159.600000118.6K88K88-G90 PolarHBondContact O-N 3.41Å
91S35.1Very low45.6Very low113 Ų113140 Ų14079%0.7972%0.72SS**  trans-122.990.6139.7-177.90000107.4R93S91-R93 PolarHBondContact O-N 2.76Å
92S45.6Very low43.6Very low117 Ų117142.9 Ų142.982%0.81874%0.735SS**  trans-74.268175.941.10000111
93R33.7Very low42.5Very low206 Ų206150.2 Ų150.278%0.77777%0.765SS**  trans-128.2108.8158.7-71.7-175.970.9113.7-2.3108.7S91 V95S91-R93 PolarHBondContact O-N 2.76Å; R93-V95 PolarHBondContact O-N 3.21Å
94P35.8Very low41.7Very low120 Ų120149.2 Ų149.278%0.77976%0.761SS**  trans-57.3122.3169.9-21.332.4000109.6W96P94-W96 PolarHBondContact O-N 2.84Å
95V36.1Very low41.1Very low149 Ų149153.8 Ų153.890%0.90377%0.772SS**SBendtrans-80.842.7177.9-1770000110R93R93-V95 PolarHBondContact O-N 3.21Å
96W45.9Very low40.7Very low210 Ų210149.9 Ų149.980%0.79576%0.762SS**  trans-140.154.4178.3-156.572.5000111.6P94P94-W96 PolarHBondContact O-N 2.84Å
97S38.4Very low40.3Very low108 Ų108143.4 Ų143.476%0.75576%0.758SS**  trans-125.118.1173.8-1340000114
98D33.5Very low39.5Very low150 Ų150143 Ų14380%0.80276%0.763SS**  trans-125.6105.6167.6-74.9-52.1000111.3D100D98-D100 VanDerWaalsContact C-N 3.25Å; D98-D100 PolarHBondContact O-N 3.47Å; D98-D100 VanDerWaalsContact O-N 3.15Å
99D47.5Very low39.1Very low121 Ų121140.8 Ų140.865%0.64776%0.764SS**THydrogen-bonded Turntrans-83.449.8-173.1-140.3-41.7000111.3
100D43Very low38.9Very low112 Ų112137.9 Ų137.960%0.59976%0.76SS**THydrogen-bonded Turntrans-119.7-5-178.4-98.1-37.4000114D98D98-D100 VanDerWaalsContact C-N 3.25Å; D98-D100 PolarHBondContact O-N 3.47Å; D98-D100 VanDerWaalsContact O-N 3.15Å
101W44.8Very low38.5Very low199 Ų199142.5 Ų142.575%0.75476%0.762SS**SBendtrans-84.7-31.1-179.4-169.239000113.1K103 K104W101-K103 VanDerWaalsContact C-N 3.32Å; W101-K103 PolarHBondContact O-N 3.2Å; W101-K104 PolarHBondContact O-N 2.73Å
102L42.2Very low38.3Very low132 Ų132144.2 Ų144.269%0.69176%0.762SS**THydrogen-bonded Turntrans-72.2-24.7-178.5-137.976.8000113.3S106L102-S106 PolarHBondContact O-OG 2.88Å
103K50.1Low37.3Very low162 Ų162142.8 Ų142.870%0.70476%0.757SS**THydrogen-bonded Turntrans-79.2-19.5178.9-76.2176.7-178164.40114.1W101W101-K103 VanDerWaalsContact C-N 3.32Å; W101-K103 PolarHBondContact O-N 3.2Å
104K48.8Very low36.9Very low175 Ų175141.8 Ų141.876%0.76176%0.761SS**SBendtrans-92.5-9.3-173-101.2178.7178.5171.10115.4W101W101-K104 PolarHBondContact O-N 2.73Å
105F39.6Very low36.4Very low183 Ų183141.7 Ų141.780%0.80376%0.758SS**SBendtrans-134.517.7-177.4-81.4-83.4000114.3
106S34.9Very low35.8Very low92 Ų92141.1 Ų141.164%0.64376%0.755SS**SBendtrans-117.5105167.758.30000110.4L102L102-S106 PolarHBondContact O-OG 2.88Å
107G29.7Very low34.8Very low67 Ų67140.1 Ų140.169%0.69176%0.76SS**  trans107.6121-177.100000110.8
108T31Very low34.1Very low143 Ų143140 Ų14088%0.87776%0.759SS**  -165139.655.3-65.40000111.2
109T29.3Very low33.7Very low129 Ų129139.9 Ų139.979%0.79176%0.763SS**  trans-73.9153.116642.90000112.3
110V32.2Very low32.7Very low133 Ų133138 Ų13881%0.80677%0.772SS**  trans-39.4134.3175.6-148.30000116.2
111E31.1Very low31.9Very low172 Ų172141.9 Ų141.980%0.80479%0.787SS**  159.9136.8119-8717817000114.9
112D30.1Very low30.9Very low148 Ų148138 Ų13879%0.79179%0.79SS**  trans67.5107.6152.6-64.6-21.5000126.3
113A26.2Very low30.2Very low88 Ų88136.7 Ų136.773%0.72780%0.799SS**  68134.6112.700000124.5
114E24.6Very low29.2Very low184 Ų184138.9 Ų138.986%0.8681%0.808SS**  trans96.9107.6152-62.8-162153.400123.1
115V26Very low28Very low119 Ų119135.6 Ų135.672%0.72181%0.807SS**  trans52.2118.2130.4-161.30000121.2
116T23.6Very low27.3Very low137 Ų137132.8 Ų132.884%0.8481%0.805SS**  176.9139.6112.229.10000112.8
117E24.3Very low26.8Very low189 Ų189134.6 Ų134.688%0.88381%0.813SS**  trans-71.5150.8172.8-67.8173.9128.900113
118S24.3Very low26.8Very low106 Ų106135.9 Ų135.974%0.74182%0.817SS**  176.1116.2122.3410000113.4
119T24.5Very low26.7Very low146 Ų146137.1 Ų137.190%0.89682%0.818SS**  trans22.7134.6136.255.30000122.1
120G26.1Very low26.7Very low81 Ų81134.5 Ų134.584%0.83582%0.817SS**  trans169.3111.8151.800000115.2
121E25.6Very low26.5Very low194 Ų194136.7 Ų136.791%0.90782%0.818SS**  trans-77.1146.1-173.6-84.1173111.900117.1
122S25.4Very low26.8Very low117 Ų117133.6 Ų133.682%0.81881%0.813SS**  59.4121129.5-1450000122.7
123A27.6Very low27Very low106 Ų106132.5 Ų132.588%0.87681%0.814SS**  trans-153.1129.7138.900000111.2
124K27.5Very low27.7Very low208 Ų208132.9 Ų132.990%0.90482%0.818SS**  trans-101.6141178.1-108.5178.4177.1176.10110.7
125S24.5Very low28.5Very low106 Ų106133.7 Ų133.774%0.74182%0.818SS**  trans-157.8110.4145.956.40000108.4
126T24.5Very low29.2Very low123 Ų123137.8 Ų137.876%0.75583%0.826SS**  42.5123.895.256.10000113.7
127T25.8Very low30.6Very low130 Ų130134.5 Ų134.580%0.79882%0.82SS**  cis-168.3141.412.1160000109
128A28.1Very low32.6Very low95 Ų95133.9 Ų133.979%0.78581%0.809SS**  trans42.4108.6137.900000120.9
129D28.5Very low35.7Very low168 Ų168134.9 Ų134.990%0.89881%0.811SS**  -134.4123.5123.6-121.1-40.2000108.3E131D129-E131 PolarHBondContact O-N 3.37Å
130G29.3Very low39.1Very low75 Ų75129.9 Ų129.977%0.77378%0.779SS**  trans-77.492.3-166.300000112.1
131E29.4Very low42.5Very low178 Ų178127 Ų12783%0.83275%0.745SS**PPolyproline II helixtrans-69.2126161.4-157169.6177.500108.4D129D129-E131 PolarHBondContact O-N 3.37Å
132P37.5Very low46Very low107 Ų107120.4 Ų120.470%0.69572%0.715SS**PPolyproline II helixtrans-58.7139176.923.9-31.7000108.8A134P132-A134 PolarHBondContact O-N 3.39Å
133P34.1Very low49.5Very low125 Ų125114.9 Ų114.981%0.81268%0.676SS**PPolyproline II helixtrans-56.9119.3-172.222.4-32.2000109.2K135P133-K135 PolarHBondContact O-N 2.95Å
134A39.6Very low52.8Low97 Ų97111.7 Ų111.780%0.80264%0.641SS**  trans-48.5115.1171.200000107.8P132 K136P132-A134 PolarHBondContact O-N 3.39Å; A134-K136 PolarHBondContact O-N 2.99Å; A134-K136 VanDerWaalsContact O-N 3.08Å
135K42.1Very low56.2Low200 Ų200101.8 Ų101.887%0.8760%0.598SS**  trans-48.3123.2171.7-72.8177.7177.9177.60106.3P133 G137P133-K135 PolarHBondContact O-N 2.95Å; K135-G137 PolarHBondContact O-N 3.06Å
136K41.4Very low59.8Low205 Ų20598.3 Ų98.389%0.89157%0.571SS**  trans-40.3111.6172.9-75.6-179175.6-178.90107.5A134 R138A134-K136 PolarHBondContact O-N 2.99Å; A134-K136 VanDerWaalsContact O-N 3.08Å; K136-R138 PolarHBondContact O-N 3.34Å
137G52.6Low63.3Low68 Ų6892.5 Ų92.570%0.70154%0.536SS*.PPolyproline II helixtrans-54.7127-175.700000108.3K135 T139K135-G137 PolarHBondContact O-N 3.06Å; G137-T139 PolarHBondContact O-N 3.48Å; G137-T139 VanDerWaalsContact O-N 3.09Å
138R66.1Low66.8Low177 Ų17790.6 Ų90.667%0.66852%0.516SS*.PPolyproline II helixtrans-56.6119.6169.9-79.1179.8171.3171.6-5.6106.7K136 N140K136-R138 PolarHBondContact O-N 3.34Å; R138-N140 PolarHBondContact O-N 2.88Å
139T89.7Confident70.1Confident127 Ų12787 Ų8778%0.77948%0.484SS*.PPolyproline II helixtrans-67.7130.917344.30000108.3G137 P141G137-T139 PolarHBondContact O-N 3.48Å; G137-T139 VanDerWaalsContact O-N 3.09Å; T139-P141 WeakPolarHBondContact O-CD 3.39Å
140N96.2Very high73.3Confident41 Ų4179.7 Ų79.722%0.21945%0.448CS..PPolyproline II helixtrans-70.5120.4179.1-83.7-13.1000110R138 L160 L161 A163 D164R138-N140 PolarHBondContact O-N 2.88Å; N140-L160 HydrophobicContact CB-CD1 3.68Å; N140-L160 HydrophobicContact CB-CG 4.21Å; N140-L161 WeakPolarHBondContact CB-O 3.16Å; N140-L161 PolarHBondContact OD1-O 3.28Å; N140-A163 PolarHBondContact OD1-N 3.19Å; N140-A163 VanDerWaalsContact OD1-N 3.1Å; N140-D164 PolarHBondContact ND2-OD1 3.11Å; N140-D164 PolarHBondContact OD1-N 3.33Å; N140-D164 PolarHBondContact OD1-OD1 2.95Å; N140-D164 VanDerWaalsContact OD1-OD1 3.1Å
141P97.4Very high76.4Confident20 Ų2084 Ų8413%0.1345%0.454CS..PPolyproline II helixtrans-61.9149.5-179.9-22.933.5000111.8T139 L161 A163 R174T139-P141 WeakPolarHBondContact O-CD 3.39Å; P141-L161 HydrophobicContact CB-CB 4.45Å; P141-L161 HydrophobicContact CB-CD1 4.34Å; P141-L161 PolarHBondContact O-N 2.76Å; P141-A163 HydrophobicContact CG-CB 4.34Å; P141-R174 HydrophobicContact CB-CG 4.26Å
142Q98.3Very high79.6Confident56 Ų5683.3 Ų83.326%0.26245%0.448SS..EExtended strand (participates in β ladder)trans-118.4127.9172.3-65.3-177.630.300109.9R158 F159 L160 E300 Y301Q142-R158 VanDerWaalsContact OE1-CZ 3.24Å; Q142-F159 CarbonylContact C-O 3.6Å; Q142-F159 VanDerWaalsContact CA-O 3.25Å; Q142-F159 WeakPolarHBondContact CA-O 3.28Å; Q142-L160 HydrophobicContact CG-CD1 3.73Å; Q142-E300 WeakPolarHBondContact O-CA 3.17Å; Q142-E300 WeakPolarHBondContact O-CG 3.35Å; Q142-Y301 HydrophobicContact CB-CD2 4.24Å; Q142-Y301 PolarHBondContact O-N 3.34Å
143V98.6Very high82.5Confident0 Ų083.3 Ų83.30%045%0.448CS..EExtended strand (participates in β ladder)trans-123.6159.3-177.2-62.20000110.9R158 F159 L161 F173 R174 C177 G299 E300V143-R158 WeakPolarHBondContact O-CA 3.09Å; V143-F159 HydrophobicContact CG2-CB 3.98Å; V143-F159 HydrophobicContact CG2-CD2 4.46Å; V143-F159 PolarHBondContact N-O 2.88Å; V143-F159 PolarHBondContact O-N 3.1Å; V143-L161 HydrophobicContact CG1-CD1 3.84Å; V143-L161 HydrophobicContact CG1-CG 4.46Å; V143-L161 HydrophobicContact CG2-CD1 4.05Å; V143-L161 HydrophobicContact CG2-CD2 3.95Å; V143-L161 HydrophobicContact CG2-CG 4.04Å; V143-F173 HydrophobicContact CG2-CD1 4.05Å; V143-F173 HydrophobicContact CG2-CE1 3.79Å; V143-R174 HydrophobicContact CG1-CG 4.17Å; V143-C177 HydrophobicContact CB-CB 4.22Å; V143-C177 HydrophobicContact CG1-CB 4.22Å; V143-G299 CarbonylContact C-O 3.55Å; V143-G299 VanDerWaalsContact CA-O 3.24Å; V143-G299 WeakPolarHBondContact CA-O 3.4Å; V143-G299 VanDerWaalsContact CB-O 3.3Å; V143-G299 WeakPolarHBondContact CB-O 3.38Å; V143-E300 HydrophobicContact CG1-CB 4.37Å
144Y98.7Very high85.5Confident39 Ų3979.1 Ų79.115%0.15342%0.424CS..EExtended strand (participates in β ladder)trans-128.3156.3176.372-90.7000113.2R156 L157 D297 C298 G299 Y301Y144-R156 HydrophobicContact CD2-CG 4.5Å; Y144-L157 CarbonylContact C-O 3.58Å; Y144-L157 WeakPolarHBondContact CA-O 3.27Å; Y144-L157 WeakPolarHBondContact CB-O 3.34Å; Y144-D297 PolarHBondContact OH-OD2 3.36Å; Y144-C298 WeakPolarHBondContact O-CA 3.36Å; Y144-C298 WeakPolarHBondContact O-CB 3.43Å; Y144-G299 VanDerWaalsContact CE1-CA 3.48Å; Y144-G299 PolarHBondContact N-O 3.42Å; Y144-G299 PolarHBondContact O-N 2.99Å; Y144-Y301 HydrophobicContact CD1-CD2 4.34Å; Y144-Y301 HydrophobicContact CD1-CE2 4.03Å; Y144-Y301 HydrophobicContact CG-CE2 4.24Å
145M98.7Very high88.3Confident0 Ų076 Ų760%040%0.401CS..EExtended strand (participates in β ladder)trans-136.7121.9169.5-63.7-177.1173.400110I147 R156 L157 F159 F173 F185 F249 I295 D297 C298M145-I147 HydrophobicContact CB-CD1 4.1Å; M145-R156 WeakPolarHBondContact O-CA 3.45Å; M145-L157 HydrophobicContact CB-CB 4.43Å; M145-L157 PolarHBondContact N-O 2.84Å; M145-L157 PolarHBondContact O-N 2.99Å; M145-F159 HydrophobicContact CG-CE2 4.4Å; M145-F159 HydrophobicContact SD-CE2 4.26Å; M145-F173 HydrophobicContact CE-CE1 3.79Å; M145-F173 HydrophobicContact CE-CE2 4.04Å; M145-F173 HydrophobicContact CE-CZ 3.27Å; M145-F185 HydrophobicContact CE-CB 4.5Å; M145-F185 HydrophobicContact CE-CD2 3.63Å; M145-F185 HydrophobicContact CE-CE2 4.09Å; M145-F185 HydrophobicContact CE-CG 4.24Å; M145-F249 HydrophobicContact CE-CE1 4.12Å; M145-F249 HydrophobicContact CE-CE2 4.45Å; M145-F249 HydrophobicContact CE-CZ 3.7Å; M145-F249 HydrophobicContact SD-CE2 4.44Å; M145-F249 HydrophobicContact SD-CZ 3.83Å; M145-I295 HydrophobicContact CB-CG2 4.22Å; M145-I295 HydrophobicContact CE-CD1 4.3Å; M145-I295 HydrophobicContact CG-CG2 4.27Å; M145-I295 HydrophobicContact SD-CD1 3.8Å; M145-I295 HydrophobicContact SD-CG1 4.28Å; M145-D297 CarbonylContact C-O 3.6Å; M145-C298 HydrophobicContact CG-CB 4.09Å
146D98.6Very high91Very high33 Ų3371.1 Ų71.118%0.17638%0.377CS..EExtended strand (participates in β ladder)trans-87.9116.4172.2-72.1-35000110.1R156 S296 D297D146-R156 VanDerWaalsContact OD1-CB 3.3Å; D146-R156 WeakPolarHBondContact OD1-CB 3.41Å; D146-R156 WeakPolarHBondContact OD1-CG 3.34Å; D146-R156 IonicContact OD1-CZ 3.47Å; D146-R156 IonicContact OD1-NE 3.81Å; D146-R156 PolarHBondContact OD1-NE 3.36Å; D146-R156 IonicContact OD1-NH2 3.37Å; D146-R156 PolarHBondContact OD1-NH2 2.95Å; D146-R156 IonicContact OD2-CZ 3.61Å; D146-R156 IonicContact OD2-NE 2.76Å; D146-R156 IonicContact OD2-NH2 2.76Å; D146-R156 PolarHBondContact OD2-NH2 2.86Å; D146-S296 PolarHBondContact O-N 2.8Å; D146-S296 PolarHBondContact O-OG 3.4Å; D146-D297 HydrophobicContact CB-CB 4.09Å; D146-D297 PolarHBondContact N-O 2.87Å
147I98.7Very high93.7Very high2 Ų261.4 Ų61.41%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-97.3137.8-172.8-55.1-56.2000111.1M145 I149 A154 G155 L157 F190 V275 M279 V293 I294 I295M145-I147 HydrophobicContact CB-CD1 4.1Å; I147-I149 HydrophobicContact CG2-CG1 4.29Å; I147-A154 HydrophobicContact CB-CB 4.3Å; I147-A154 HydrophobicContact CG2-CB 4.11Å; I147-A154 PolarHBondContact O-N 3.1Å; I147-G155 PolarHBondContact N-O 3.1Å; I147-L157 HydrophobicContact CD1-CD1 4Å; I147-L157 HydrophobicContact CG1-CD1 3.77Å; I147-L157 HydrophobicContact CG1-CG 3.97Å; I147-F190 HydrophobicContact CD1-CE2 3.79Å; I147-V275 HydrophobicContact CB-CG1 3.86Å; I147-V275 HydrophobicContact CG1-CG1 3.91Å; I147-V275 HydrophobicContact CG2-CG1 4.32Å; I147-M279 HydrophobicContact CD1-SD 4.34Å; I147-M279 HydrophobicContact CG1-SD 3.96Å; I147-M279 HydrophobicContact CG2-CG 3.98Å; I147-M279 HydrophobicContact CG2-SD 3.94Å; I147-V293 HydrophobicContact CG2-CG1 3.83Å; I147-I294 WeakPolarHBondContact CA-O 3.32Å; I147-I295 HydrophobicContact CD1-CG1 4.11Å
148K98.5Very high95.9Very high89 Ų8961 Ų6139%0.38731%0.312SS..EExtended strand (participates in β ladder)trans-115.4134.3164.9-73.8180-176.5177.20110.1K152 V293 I294K148-K152 CarbonylContact C-O 3.55Å; K148-K152 VanDerWaalsContact CA-O 3.28Å; K148-K152 WeakPolarHBondContact CA-O 3.47Å; K148-V293 CarbonylContact O-C 3.58Å; K148-V293 WeakPolarHBondContact O-CA 3.43Å; K148-I294 PolarHBondContact N-O 2.79Å; K148-I294 PolarHBondContact O-N 2.7Å
149I98.4Very high97.4Very high20 Ų2052.6 Ų52.610%0.10328%0.281CS..EExtended strand (participates in β ladder)trans-112.6118.6172.1-61.7172.5000108I147 N151 K152 A154 A278 M279 E282 Q291 K292 V293I147-I149 HydrophobicContact CG2-CG1 4.29Å; I149-N151 PolarHBondContact O-N 2.98Å; I149-N151 VanDerWaalsContact O-N 3.17Å; I149-K152 PolarHBondContact N-O 3.01Å; I149-K152 PolarHBondContact O-N 3.19Å; I149-A154 HydrophobicContact CB-CB 4.43Å; I149-A154 HydrophobicContact CD1-CB 3.69Å; I149-A154 HydrophobicContact CG1-CB 3.77Å; I149-A278 HydrophobicContact CD1-CB 3.91Å; I149-M279 HydrophobicContact CD1-CG 4.32Å; I149-E282 HydrophobicContact CD1-CG 4.46Å; I149-E282 HydrophobicContact CG2-CG 3.64Å; I149-Q291 HydrophobicContact CG2-CB 4.12Å; I149-K292 WeakPolarHBondContact CA-O 3.35Å; I149-V293 HydrophobicContact CG1-CG1 4.4Å; I149-V293 HydrophobicContact CG1-CG2 4.29Å
150G96.2Very high97.9Very high15 Ų1547.7 Ų47.716%0.15525%0.249CC..THydrogen-bonded Turntrans57.3-117.7-164.800000110.3K292G150-K292 PolarHBondContact N-O 3.08Å
151N93.7Very high98Very high165 Ų16545.8 Ų45.888%0.88224%0.239SC*.THydrogen-bonded Turntrans-105.98.8177.1-69.2-17.8000113.3I149I149-N151 PolarHBondContact O-N 2.98Å; I149-N151 VanDerWaalsContact O-N 3.17Å
152K97Very high98Very high163 Ų16347.7 Ų47.771%0.70924%0.244SC*.EExtended strand (participates in β ladder)trans-108.2133.7-175-64.2-178.2-178.2178.80110.9K148 I149 A154K148-K152 CarbonylContact C-O 3.55Å; K148-K152 VanDerWaalsContact CA-O 3.28Å; K148-K152 WeakPolarHBondContact CA-O 3.47Å; I149-K152 PolarHBondContact N-O 3.01Å; I149-K152 PolarHBondContact O-N 3.19Å; K152-A154 PolarHBondContact O-N 3.21Å
153P97.9Very high97.9Very high108 Ų10845.6 Ų45.670%0.70124%0.236SC*.EExtended strand (participates in β ladder)trans-57.9128.6165.5-20.232.6000110
154A97.9Very high97.7Very high37 Ų3749.5 Ų49.531%0.30626%0.257SS..EExtended strand (participates in β ladder)trans-99.4-29178.900000112.1I147 I149 K152 V275I147-A154 HydrophobicContact CB-CB 4.3Å; I147-A154 HydrophobicContact CG2-CB 4.11Å; I147-A154 PolarHBondContact O-N 3.1Å; I149-A154 HydrophobicContact CB-CB 4.43Å; I149-A154 HydrophobicContact CD1-CB 3.69Å; I149-A154 HydrophobicContact CG1-CB 3.77Å; K152-A154 PolarHBondContact O-N 3.21Å; A154-V275 HydrophobicContact CB-CG1 4.21Å
155G98.1Very high97.5Very high31 Ų3149.5 Ų49.532%0.3226%0.259SS..EExtended strand (participates in β ladder)trans138.5-170.8177.400000112I147I147-G155 PolarHBondContact N-O 3.1Å
156R98.4Very high97.4Very high98 Ų9849.5 Ų49.537%0.3726%0.259SS..EExtended strand (participates in β ladder)trans-110.7134.2-178.4-177.4170-73.2-163-8110.6Y144 M145 D146 Y301Y144-R156 HydrophobicContact CD2-CG 4.5Å; M145-R156 WeakPolarHBondContact O-CA 3.45Å; D146-R156 VanDerWaalsContact OD1-CB 3.3Å; D146-R156 WeakPolarHBondContact OD1-CB 3.41Å; D146-R156 WeakPolarHBondContact OD1-CG 3.34Å; D146-R156 IonicContact OD1-CZ 3.47Å; D146-R156 IonicContact OD1-NE 3.81Å; D146-R156 PolarHBondContact OD1-NE 3.36Å; D146-R156 IonicContact OD1-NH2 3.37Å; D146-R156 PolarHBondContact OD1-NH2 2.95Å; D146-R156 IonicContact OD2-CZ 3.61Å; D146-R156 IonicContact OD2-NE 2.76Å; D146-R156 IonicContact OD2-NH2 2.76Å; D146-R156 PolarHBondContact OD2-NH2 2.86Å; R156-Y301 WeakPolarHBondContact CD-OH 3.46Å; R156-Y301 PolarHBondContact NH1-OH 3.34Å
157L98.5Very high97.4Very high0 Ų049.7 Ų49.70%026%0.262CS..EExtended strand (participates in β ladder)trans-96.1135.5166.1-58.5175.2000108.6Y144 M145 I147 F159 I251 L269 G272 V275 V276 M279Y144-L157 CarbonylContact C-O 3.58Å; Y144-L157 WeakPolarHBondContact CA-O 3.27Å; Y144-L157 WeakPolarHBondContact CB-O 3.34Å; M145-L157 HydrophobicContact CB-CB 4.43Å; M145-L157 PolarHBondContact N-O 2.84Å; M145-L157 PolarHBondContact O-N 2.99Å; I147-L157 HydrophobicContact CD1-CD1 4Å; I147-L157 HydrophobicContact CG1-CD1 3.77Å; I147-L157 HydrophobicContact CG1-CG 3.97Å; L157-F159 HydrophobicContact CB-CD2 4.29Å; L157-F159 HydrophobicContact CB-CE2 3.45Å; L157-F159 VanDerWaalsContact CB-CE2 3.45Å; L157-F159 HydrophobicContact CB-CZ 3.75Å; L157-F159 HydrophobicContact CD1-CE2 4.1Å; L157-F159 HydrophobicContact CD1-CZ 3.84Å; L157-F159 HydrophobicContact CG-CE2 4.4Å; L157-F159 HydrophobicContact CG-CZ 4.33Å; L157-I251 HydrophobicContact CD1-CD1 3.91Å; L157-L269 HydrophobicContact CB-CD1 3.94Å; L157-L269 HydrophobicContact CD2-CD1 3.89Å; L157-L269 HydrophobicContact CG-CD1 4.47Å; L157-G272 WeakPolarHBondContact CD2-O 3.5Å; L157-V275 HydrophobicContact CD2-CB 3.69Å; L157-V275 HydrophobicContact CD2-CG1 3.97Å; L157-V275 HydrophobicContact CG-CB 4.44Å; L157-V275 HydrophobicContact CG-CG1 4.24Å; L157-V276 HydrophobicContact CD2-CG2 3.58Å; L157-M279 HydrophobicContact CD1-SD 3.98Å
158R98.3Very high97.3Very high61 Ų6154.1 Ų54.123%0.2328%0.284CS..EExtended strand (participates in β ladder)trans-120.7129.2171.9179.4176.2171.1-165.2-0.2109.4Q142 V143 L269 M270 E271 Y301Q142-R158 VanDerWaalsContact OE1-CZ 3.24Å; V143-R158 WeakPolarHBondContact O-CA 3.09Å; R158-L269 WeakPolarHBondContact O-CD1 3.46Å; R158-M270 HydrophobicContact CG-CB 4.26Å; R158-M270 PolarHBondContact O-N 2.86Å; R158-E271 HydrophobicContact CB-CB 4.08Å; R158-E271 VanDerWaalsContact CD-OE2 3.28Å; R158-E271 WeakPolarHBondContact CD-OE2 3.27Å; R158-E271 PolarHBondContact N-O 2.91Å; R158-E271 VanDerWaalsContact NH1-CD 3.3Å; R158-E271 IonicContact NH1-OE1 3.99Å; R158-E271 PolarHBondContact NH1-OE1 2.79Å; R158-E271 IonicContact NH1-OE2 3.62Å; R158-E271 PolarHBondContact NH1-OE2 2.9Å; R158-E271 PolarHBondContact O-N 2.89Å; R158-Y301 HydrophobicContact CB-CE2 4.36Å; R158-Y301 HydrophobicContact CG-CD2 4.27Å; R158-Y301 HydrophobicContact CG-CE2 3.74Å
159F98.5Very high97.3Very high0 Ų049.9 Ų49.90%027%0.266CS..EExtended strand (participates in β ladder)trans-121.8144.6-177-59-83.6000111.3Q142 V143 M145 L157 L161 L235 I251 E268 L269Q142-F159 CarbonylContact C-O 3.6Å; Q142-F159 VanDerWaalsContact CA-O 3.25Å; Q142-F159 WeakPolarHBondContact CA-O 3.28Å; V143-F159 HydrophobicContact CG2-CB 3.98Å; V143-F159 HydrophobicContact CG2-CD2 4.46Å; V143-F159 PolarHBondContact N-O 2.88Å; V143-F159 PolarHBondContact O-N 3.1Å; M145-F159 HydrophobicContact CG-CE2 4.4Å; M145-F159 HydrophobicContact SD-CE2 4.26Å; L157-F159 HydrophobicContact CB-CD2 4.29Å; L157-F159 HydrophobicContact CB-CE2 3.45Å; L157-F159 VanDerWaalsContact CB-CE2 3.45Å; L157-F159 HydrophobicContact CB-CZ 3.75Å; L157-F159 HydrophobicContact CD1-CE2 4.1Å; L157-F159 HydrophobicContact CD1-CZ 3.84Å; L157-F159 HydrophobicContact CG-CE2 4.4Å; L157-F159 HydrophobicContact CG-CZ 4.33Å; F159-L161 HydrophobicContact CB-CD2 4.48Å; F159-L235 HydrophobicContact CB-CD1 3.75Å; F159-L235 HydrophobicContact CD1-CD1 3.45Å; F159-L235 VanDerWaalsContact CD1-CD1 3.45Å; F159-L235 HydrophobicContact CD1-CD2 4.09Å; F159-L235 HydrophobicContact CD1-CG 3.61Å; F159-L235 HydrophobicContact CD2-CD1 4.32Å; F159-L235 HydrophobicContact CE1-CD1 4.04Å; F159-L235 HydrophobicContact CE1-CD2 3.79Å; F159-L235 HydrophobicContact CE1-CG 3.79Å; F159-L235 HydrophobicContact CG-CD1 3.59Å; F159-L235 HydrophobicContact CG-CG 4.26Å; F159-L235 HydrophobicContact CZ-CD2 4.16Å; F159-I251 HydrophobicContact CE1-CD1 4.32Å; F159-I251 HydrophobicContact CE1-CG1 4.3Å; F159-I251 HydrophobicContact CZ-CD1 3.74Å; F159-I251 HydrophobicContact CZ-CG1 4.15Å; F159-E268 CarbonylContact C-O 3.53Å; F159-E268 VanDerWaalsContact CA-O 3.28Å; F159-E268 WeakPolarHBondContact CA-O 3.24Å; F159-L269 HydrophobicContact CD1-CB 4.08Å; F159-L269 HydrophobicContact CD1-CD1 3.66Å; F159-L269 HydrophobicContact CD1-CG 4.49Å; F159-L269 HydrophobicContact CE1-CB 4.03Å; F159-L269 HydrophobicContact CE1-CD1 3.26Å; F159-L269 HydrophobicContact CE1-CG 4.26Å; F159-L269 HydrophobicContact CE2-CD1 4.24Å; F159-L269 HydrophobicContact CG-CD1 4.31Å; F159-L269 HydrophobicContact CZ-CD1 3.6Å
160L98.4Very high97.3Very high24 Ų2449 Ų4913%0.12626%0.261CS..EExtended strand (participates in β ladder)trans-97.4127.1163.7-176.970.7000108.7N140 Q142 G267 E268 M270N140-L160 HydrophobicContact CB-CD1 3.68Å; N140-L160 HydrophobicContact CB-CG 4.21Å; Q142-L160 HydrophobicContact CG-CD1 3.73Å; L160-G267 CarbonylContact O-C 3.56Å; L160-G267 WeakPolarHBondContact O-CA 3.27Å; L160-E268 HydrophobicContact CB-CG 4.4Å; L160-E268 PolarHBondContact N-O 2.77Å; L160-E268 PolarHBondContact O-N 3.06Å; L160-M270 HydrophobicContact CB-CG 3.79Å; L160-M270 HydrophobicContact CB-SD 3.89Å; L160-M270 HydrophobicContact CD2-SD 4.33Å
161L98.4Very high97.4Very high0 Ų051.4 Ų51.40%027%0.268CS..EExtended strand (participates in β ladder)trans-97.1130.1177.5-53.4-175.6000110.3N140 P141 V143 F159 A163 A170 F173 R174 L235 F266N140-L161 WeakPolarHBondContact CB-O 3.16Å; N140-L161 PolarHBondContact OD1-O 3.28Å; P141-L161 HydrophobicContact CB-CB 4.45Å; P141-L161 HydrophobicContact CB-CD1 4.34Å; P141-L161 PolarHBondContact O-N 2.76Å; V143-L161 HydrophobicContact CG1-CD1 3.84Å; V143-L161 HydrophobicContact CG1-CG 4.46Å; V143-L161 HydrophobicContact CG2-CD1 4.05Å; V143-L161 HydrophobicContact CG2-CD2 3.95Å; V143-L161 HydrophobicContact CG2-CG 4.04Å; F159-L161 HydrophobicContact CB-CD2 4.48Å; L161-A163 PolarHBondContact O-N 2.74Å; L161-A170 HydrophobicContact CB-CB 4Å; L161-F173 HydrophobicContact CD1-CB 4.41Å; L161-F173 HydrophobicContact CD1-CD1 3.98Å; L161-F173 HydrophobicContact CD2-CD1 3.73Å; L161-F173 HydrophobicContact CD2-CE1 4.16Å; L161-R174 HydrophobicContact CD1-CB 3.95Å; L161-L235 HydrophobicContact CD2-CD1 3.89Å; L161-F266 HydrophobicContact CD2-CD2 4.2Å; L161-F266 HydrophobicContact CD2-CE2 4.13Å
162R97.9Very high97.6Very high60 Ų6043.6 Ų43.623%0.22623%0.226CC..  trans-82.960.2-176.4-66-61.5-56.6-96.86.3112.2D164 I165 V166 L227 F266R162-D164 VanDerWaalsContact C-OD1 3.26Å; R162-D164 VanDerWaalsContact CA-OD1 3.28Å; R162-D164 WeakPolarHBondContact CA-OD1 3.36Å; R162-D164 IonicContact CZ-OD1 3.91Å; R162-D164 IonicContact CZ-OD2 2.79Å; R162-D164 IonicContact NE-OD1 3.97Å; R162-D164 PolarHBondContact NE-OD1 3.01Å; R162-D164 IonicContact NE-OD2 2.7Å; R162-D164 PolarHBondContact NE-OD2 2.92Å; R162-D164 IonicContact NH2-OD1 2.69Å; R162-D164 IonicContact NH2-OD2 3.55Å; R162-D164 PolarHBondContact NH2-OD2 2.93Å; R162-D164 PolarHBondContact O-N 2.81Å; R162-I165 PolarHBondContact O-N 3.19Å; R162-V166 HydrophobicContact CB-CG2 4.45Å; R162-V166 WeakPolarHBondContact O-CG2 3.42Å; R162-V166 PolarHBondContact O-N 3.02Å; R162-L227 HydrophobicContact CB-CD1 3.73Å; R162-L227 HydrophobicContact CG-CD1 3.74Å; R162-F266 PolarHBondContact N-O 2.96Å
163A96.6Very high97.7Very high12 Ų1235.9 Ų35.910%0.09919%0.193CC..THydrogen-bonded Turntrans-64.3-17.2177.200000113.3N140 P141 L161 I165 P167 A170N140-A163 PolarHBondContact OD1-N 3.19Å; N140-A163 VanDerWaalsContact OD1-N 3.1Å; P141-A163 HydrophobicContact CG-CB 4.34Å; L161-A163 PolarHBondContact O-N 2.74Å; A163-I165 VanDerWaalsContact C-N 3.32Å; A163-P167 WeakPolarHBondContact O-CB 3.36Å; A163-P167 WeakPolarHBondContact O-CD 3.47Å; A163-A170 HydrophobicContact CB-CB 3.86Å
164D94.3Very high97.7Very high82 Ų8231.8 Ų31.844%0.43916%0.163SC..THydrogen-bonded Turntrans-67.9-26.2169.464.3-44.8000113.7N140 R162N140-D164 PolarHBondContact ND2-OD1 3.11Å; N140-D164 PolarHBondContact OD1-N 3.33Å; N140-D164 PolarHBondContact OD1-OD1 2.95Å; N140-D164 VanDerWaalsContact OD1-OD1 3.1Å; R162-D164 VanDerWaalsContact C-OD1 3.26Å; R162-D164 VanDerWaalsContact CA-OD1 3.28Å; R162-D164 WeakPolarHBondContact CA-OD1 3.36Å; R162-D164 IonicContact CZ-OD1 3.91Å; R162-D164 IonicContact CZ-OD2 2.79Å; R162-D164 IonicContact NE-OD1 3.97Å; R162-D164 PolarHBondContact NE-OD1 3.01Å; R162-D164 IonicContact NE-OD2 2.7Å; R162-D164 PolarHBondContact NE-OD2 2.92Å; R162-D164 IonicContact NH2-OD1 2.69Å; R162-D164 IonicContact NH2-OD2 3.55Å; R162-D164 PolarHBondContact NH2-OD2 2.93Å; R162-D164 PolarHBondContact O-N 2.81Å
165I94.4Very high97.7Very high40 Ų4030.1 Ų30.121%0.20515%0.149CC..THydrogen-bonded Turntrans-111.4-43.7-178.7-60.4-178000112.2R162 A163 P167 N224 V226 L227R162-I165 PolarHBondContact O-N 3.19Å; A163-I165 VanDerWaalsContact C-N 3.32Å; I165-P167 VanDerWaalsContact C-CD 3.45Å; I165-N224 PolarHBondContact O-ND2 2.69Å; I165-V226 HydrophobicContact CG2-CB 3.95Å; I165-V226 HydrophobicContact CG2-CG1 4.25Å; I165-L227 HydrophobicContact CB-CD1 4.46Å; I165-L227 HydrophobicContact CD1-CD1 4.11Å; I165-L227 HydrophobicContact CD1-CD2 3.68Å; I165-L227 HydrophobicContact CD1-CG 3.86Å; I165-L227 HydrophobicContact CG2-CD1 4.45Å; I165-L227 HydrophobicContact CG2-CG 4.32Å
166V97Very high97.8Very high0 Ų028.6 Ų28.60%013%0.134CC..  trans-128.965.3-176.6-74.10000110.9R162 M168 T169 A170 E223 N224 V264 F266R162-V166 HydrophobicContact CB-CG2 4.45Å; R162-V166 WeakPolarHBondContact O-CG2 3.42Å; R162-V166 PolarHBondContact O-N 3.02Å; V166-M168 VanDerWaalsContact C-N 3.34Å; V166-M168 PolarHBondContact O-N 3.11Å; V166-T169 PolarHBondContact O-N 2.72Å; V166-A170 VanDerWaalsContact O-CB 3.27Å; V166-A170 WeakPolarHBondContact O-CB 3.45Å; V166-A170 PolarHBondContact O-N 3.3Å; V166-E223 VanDerWaalsContact C-CD 3.45Å; V166-E223 VanDerWaalsContact CA-CD 3.4Å; V166-E223 WeakPolarHBondContact CA-OE2 3.31Å; V166-E223 HydrophobicContact CB-CG 4.41Å; V166-E223 VanDerWaalsContact CB-OE2 3.28Å; V166-E223 WeakPolarHBondContact CB-OE2 3.48Å; V166-E223 HydrophobicContact CG1-CB 4.21Å; V166-E223 HydrophobicContact CG1-CG 4.21Å; V166-N224 WeakPolarHBondContact CG1-ND2 3.1Å; V166-V264 HydrophobicContact CG1-CG1 3.91Å; V166-F266 HydrophobicContact CG2-CB 3.52Å
167P97.4Very high97.8Very high36 Ų3624 Ų2423%0.23412%0.116CC..Hα-helixtrans-57.1-38.7-176.420.3-33000114.6A163 I165 E171 E223A163-P167 WeakPolarHBondContact O-CB 3.36Å; A163-P167 WeakPolarHBondContact O-CD 3.47Å; I165-P167 VanDerWaalsContact C-CD 3.45Å; P167-E171 WeakPolarHBondContact O-CB 3.4Å; P167-E171 PolarHBondContact O-N 3.11Å; P167-E223 WeakPolarHBondContact CD-OE1 3.36Å; P167-E223 VanDerWaalsContact CG-OE1 3.23Å; P167-E223 WeakPolarHBondContact CG-OE1 3.19Å; P167-E223 VanDerWaalsContact N-OE1 3.09Å
168M97.6Very high97.7Very high96 Ų9625.9 Ų25.947%0.47313%0.128SC..Hα-helixtrans-68.3-42.8-179.3-66.7-174.963.300111.4V166 N172 Y216 E223V166-M168 VanDerWaalsContact C-N 3.34Å; V166-M168 PolarHBondContact O-N 3.11Å; M168-N172 WeakPolarHBondContact O-CB 3.22Å; M168-N172 PolarHBondContact O-N 3.43Å; M168-Y216 HydrophobicContact CB-CE2 4.4Å; M168-Y216 HydrophobicContact CE-CE2 4.41Å; M168-Y216 WeakPolarHBondContact O-CE2 3.46Å; M168-Y216 PolarHBondContact O-OH 2.77Å; M168-E223 PolarHBondContact N-OE1 3.18Å; M168-E223 PolarHBondContact N-OE2 3.18Å; M168-E223 VanDerWaalsContact N-OE2 3.1Å
169T98.3Very high97.7Very high0 Ų026 Ų260%013%0.131CC..Hα-helixtrans-67.3-45.2179.3-490000111V166 N172 F173 F220 E223 M237 V264 F266V166-T169 PolarHBondContact O-N 2.72Å; T169-N172 PolarHBondContact O-N 2.99Å; T169-F173 PolarHBondContact O-N 3.18Å; T169-F173 VanDerWaalsContact O-N 3.11Å; T169-F220 HydrophobicContact CG2-CE2 4.49Å; T169-F220 HydrophobicContact CG2-CZ 4.26Å; T169-E223 PolarHBondContact N-OE2 3.02Å; T169-E223 PolarHBondContact OG1-OE2 3.07Å; T169-M237 HydrophobicContact CG2-CG 3.61Å; T169-M237 HydrophobicContact CG2-SD 3.89Å; T169-V264 HydrophobicContact CG2-CG1 4.21Å; T169-F266 HydrophobicContact CG2-CB 3.63Å; T169-F266 HydrophobicContact CG2-CD1 3.81Å; T169-F266 HydrophobicContact CG2-CD2 4.4Å; T169-F266 HydrophobicContact CG2-CG 3.69Å
170A98.4Very high97.6Very high0 Ų030.7 Ų30.70%015%0.153CC..Hα-helixtrans-61.2-45.2176.700000111.7L161 A163 V166 N172 F173 R174L161-A170 HydrophobicContact CB-CB 4Å; A163-A170 HydrophobicContact CB-CB 3.86Å; V166-A170 VanDerWaalsContact O-CB 3.27Å; V166-A170 WeakPolarHBondContact O-CB 3.45Å; V166-A170 PolarHBondContact O-N 3.3Å; A170-N172 PolarHBondContact O-N 3.24Å; A170-F173 PolarHBondContact O-N 3.28Å; A170-R174 WeakPolarHBondContact O-CB 3.27Å; A170-R174 PolarHBondContact O-N 3.19Å
171E98.3Very high97.4Very high66 Ų6635.2 Ų35.231%0.30817%0.172SC..Hα-helixtrans-65.7-39.1-180-179.356.6-157.900112.4P167 R174 C175 I215P167-E171 WeakPolarHBondContact O-CB 3.4Å; P167-E171 PolarHBondContact O-N 3.11Å; E171-R174 PolarHBondContact O-N 3.39Å; E171-R174 IonicContact OE1-CZ 2.92Å; E171-R174 IonicContact OE1-NE 3.28Å; E171-R174 PolarHBondContact OE1-NE 3.44Å; E171-R174 IonicContact OE1-NH2 2.7Å; E171-R174 PolarHBondContact OE1-NH2 2.81Å; E171-R174 IonicContact OE2-CZ 2.71Å; E171-R174 IonicContact OE2-NE 2.97Å; E171-R174 PolarHBondContact OE2-NE 3.49Å; E171-R174 IonicContact OE2-NH2 3.19Å; E171-C175 WeakPolarHBondContact O-CB 3.43Å; E171-C175 PolarHBondContact O-N 2.98Å; E171-C175 PolarHBondContact OE1-SG 3.07Å; E171-I215 HydrophobicContact CG-CD1 4.09Å
172N98.4Very high97.3Very high1 Ų138.6 Ų38.61%0.00521%0.206CC..Hα-helixtrans-58.1-50.4172.9174.965.1000111.2M168 T169 A170 R174 L176 S214 I215 Y216 F220 G246M168-N172 WeakPolarHBondContact O-CB 3.22Å; M168-N172 PolarHBondContact O-N 3.43Å; T169-N172 PolarHBondContact O-N 2.99Å; A170-N172 PolarHBondContact O-N 3.24Å; N172-R174 PolarHBondContact O-N 3.17Å; N172-L176 WeakPolarHBondContact O-CB 3.27Å; N172-L176 WeakPolarHBondContact O-CG 3.44Å; N172-L176 PolarHBondContact O-N 3.49Å; N172-S214 WeakPolarHBondContact OD1-CA 3.42Å; N172-S214 WeakPolarHBondContact OD1-CB 3.19Å; N172-I215 HydrophobicContact CB-CG1 4.24Å; N172-I215 PolarHBondContact OD1-N 3.5Å; N172-Y216 HydrophobicContact CB-CE2 3.87Å; N172-F220 HydrophobicContact CB-CE1 4.46Å; N172-F220 HydrophobicContact CB-CZ 4.47Å; N172-G246 PolarHBondContact ND2-O 2.96Å
173F98.7Very high97.2Very high1 Ų137.8 Ų37.80%0.00421%0.205CC..Hα-helixtrans-65.2-39.8-179.5-166.9-93.4000112.3V143 M145 L161 T169 A170 L176 C177 F185 L235 F249 F266V143-F173 HydrophobicContact CG2-CD1 4.05Å; V143-F173 HydrophobicContact CG2-CE1 3.79Å; M145-F173 HydrophobicContact CE-CE1 3.79Å; M145-F173 HydrophobicContact CE-CE2 4.04Å; M145-F173 HydrophobicContact CE-CZ 3.27Å; L161-F173 HydrophobicContact CD1-CB 4.41Å; L161-F173 HydrophobicContact CD1-CD1 3.98Å; L161-F173 HydrophobicContact CD2-CD1 3.73Å; L161-F173 HydrophobicContact CD2-CE1 4.16Å; T169-F173 PolarHBondContact O-N 3.18Å; T169-F173 VanDerWaalsContact O-N 3.11Å; A170-F173 PolarHBondContact O-N 3.28Å; F173-L176 PolarHBondContact O-N 3.43Å; F173-C177 VanDerWaalsContact CE1-SG 3.58Å; F173-C177 PolarHBondContact O-N 2.97Å; F173-C177 PolarHBondContact O-SG 3.29Å; F173-F185 AromaticContact CD2-CE2 3.62Å; F173-F185 HydrophobicContact CD2-CE2 3.62Å; F173-F185 AromaticContact CD2-CZ 3.86Å; F173-F185 HydrophobicContact CD2-CZ 3.86Å; F173-F185 AromaticContact CE2-CE2 3.61Å; F173-F185 HydrophobicContact CE2-CE2 3.61Å; F173-F185 AromaticContact CE2-CZ 3.92Å; F173-F185 HydrophobicContact CE2-CZ 3.92Å; F173-F185 HydrophobicContact CG-CE2 4.15Å; F173-F185 HydrophobicContact CZ-CE2 4.14Å; F173-L235 HydrophobicContact CE1-CD1 3.97Å; F173-L235 HydrophobicContact CZ-CD1 4.03Å; F173-L235 HydrophobicContact CZ-CD2 4.14Å; F173-F249 HydrophobicContact CD2-CD1 4.44Å; F173-F249 HydrophobicContact CD2-CG 4.48Å; F173-F249 HydrophobicContact CE2-CB 4.15Å; F173-F249 AromaticContact CE2-CD1 3.6Å; F173-F249 HydrophobicContact CE2-CD1 3.6Å; F173-F249 AromaticContact CE2-CD2 3.87Å; F173-F249 HydrophobicContact CE2-CD2 3.87Å; F173-F249 AromaticContact CE2-CE1 3.85Å; F173-F249 HydrophobicContact CE2-CE1 3.85Å; F173-F249 HydrophobicContact CE2-CE2 4.11Å; F173-F249 AromaticContact CE2-CG 3.61Å; F173-F249 HydrophobicContact CE2-CG 3.61Å; F173-F249 HydrophobicContact CE2-CZ 4.1Å; F173-F249 HydrophobicContact CZ-CD1 4.48Å; F173-F249 HydrophobicContact CZ-CD2 4.27Å; F173-F249 HydrophobicContact CZ-CE1 4.36Å; F173-F249 HydrophobicContact CZ-CE2 4.16Å; F173-F249 HydrophobicContact CZ-CG 4.43Å; F173-F249 HydrophobicContact CZ-CZ 4.2Å; F173-F266 HydrophobicContact CB-CD2 4.37Å; F173-F266 HydrophobicContact CB-CE2 3.7Å; F173-F266 HydrophobicContact CB-CZ 4.31Å; F173-F266 AromaticContact CD1-CE2 3.93Å; F173-F266 HydrophobicContact CD1-CE2 3.93Å; F173-F266 AromaticContact CD2-CE2 3.53Å; F173-F266 HydrophobicContact CD2-CE2 3.53Å; F173-F266 AromaticContact CD2-CZ 3.43Å; F173-F266 HydrophobicContact CD2-CZ 3.43Å; F173-F266 VanDerWaalsContact CD2-CZ 3.43Å; F173-F266 HydrophobicContact CE1-CE2 4.39Å; F173-F266 HydrophobicContact CE2-CE2 4.03Å; F173-F266 AromaticContact CE2-CZ 3.74Å; F173-F266 HydrophobicContact CE2-CZ 3.74Å; F173-F266 HydrophobicContact CG-CD2 4.49Å; F173-F266 AromaticContact CG-CE2 3.44Å; F173-F266 HydrophobicContact CG-CE2 3.44Å; F173-F266 VanDerWaalsContact CG-CE2 3.44Å; F173-F266 AromaticContact CG-CZ 3.89Å; F173-F266 HydrophobicContact CG-CZ 3.89Å; F173-F266 HydrophobicContact CZ-CE2 4.42Å; F173-F266 HydrophobicContact CZ-CZ 4.42Å
174R98.5Very high97.3Very high23 Ų2337.4 Ų37.49%0.08720%0.202CC..Hα-helixtrans-59.2-54.5176.2-169.9-158.469.269.83.9111.3P141 V143 L161 A170 E171 N172 L176 C177 T178 E180 E300P141-R174 HydrophobicContact CB-CG 4.26Å; V143-R174 HydrophobicContact CG1-CG 4.17Å; L161-R174 HydrophobicContact CD1-CB 3.95Å; A170-R174 WeakPolarHBondContact O-CB 3.27Å; A170-R174 PolarHBondContact O-N 3.19Å; E171-R174 PolarHBondContact O-N 3.39Å; E171-R174 IonicContact OE1-CZ 2.92Å; E171-R174 IonicContact OE1-NE 3.28Å; E171-R174 PolarHBondContact OE1-NE 3.44Å; E171-R174 IonicContact OE1-NH2 2.7Å; E171-R174 PolarHBondContact OE1-NH2 2.81Å; E171-R174 IonicContact OE2-CZ 2.71Å; E171-R174 IonicContact OE2-NE 2.97Å; E171-R174 PolarHBondContact OE2-NE 3.49Å; E171-R174 IonicContact OE2-NH2 3.19Å; N172-R174 PolarHBondContact O-N 3.17Å; R174-L176 VanDerWaalsContact C-N 3.26Å; R174-L176 PolarHBondContact O-N 3.18Å; R174-C177 WeakPolarHBondContact O-CA 3.3Å; R174-C177 WeakPolarHBondContact O-CB 3.13Å; R174-C177 PolarHBondContact O-N 2.85Å; R174-T178 PolarHBondContact O-N 2.78Å; R174-T178 PolarHBondContact O-OG1 2.89Å; R174-E180 IonicContact CZ-OE1 3.69Å; R174-E180 IonicContact CZ-OE2 2.88Å; R174-E180 VanDerWaalsContact CZ-OE2 3.28Å; R174-E180 IonicContact NH1-OE1 2.81Å; R174-E180 IonicContact NH1-OE2 3.37Å; R174-E180 PolarHBondContact NH1-OE2 2.95Å; R174-E180 IonicContact NH2-OE1 3.69Å; R174-E180 PolarHBondContact NH2-OE1 3.49Å; R174-E180 IonicContact NH2-OE2 2.73Å; R174-E180 PolarHBondContact NH2-OE2 2.93Å; R174-E300 WeakPolarHBondContact CD-OE1 3.16Å; R174-E300 VanDerWaalsContact CD-OE2 3.29Å; R174-E300 WeakPolarHBondContact CD-OE2 3.38Å; R174-E300 WeakPolarHBondContact CG-OE2 3.3Å; R174-E300 IonicContact CZ-OE2 3.46Å; R174-E300 IonicContact NE-OE2 3.33Å; R174-E300 IonicContact NH1-OE2 2.74Å; R174-E300 PolarHBondContact NH1-OE2 3.41Å
175C98.3Very high97.5Very high1 Ų133.5 Ų33.51%0.00718%0.181CC..Hα-helixtrans-57.3-38.4177.1-82.60000112.8E171 C177 T178 H179 E180 K181 I215E171-C175 WeakPolarHBondContact O-CB 3.43Å; E171-C175 PolarHBondContact O-N 2.98Å; E171-C175 PolarHBondContact OE1-SG 3.07Å; C175-C177 VanDerWaalsContact C-N 3.29Å; C175-T178 WeakPolarHBondContact CA-OG1 3.45Å; C175-T178 PolarHBondContact O-N 3.42Å; C175-T178 PolarHBondContact O-OG1 2.86Å; C175-H179 PolarHBondContact O-N 2.91Å; C175-E180 HydrophobicContact CB-CG 4.32Å; C175-E180 PolarHBondContact SG-OE1 3.18Å; C175-E180 VanDerWaalsContact SG-OE1 3.41Å; C175-K181 HydrophobicContact CB-CG 4.21Å; C175-I215 HydrophobicContact CB-CD1 4.13Å; C175-I215 HydrophobicContact CB-CG2 3.55Å
176L98.5Very high97.7Very high0 Ų036.9 Ų36.90%019%0.194CC..Hα-helixtrans-70.8-25.3177.1-69.7172.1000112.4N172 F173 R174 F183 G184 F185 F204N172-L176 WeakPolarHBondContact O-CB 3.27Å; N172-L176 WeakPolarHBondContact O-CG 3.44Å; N172-L176 PolarHBondContact O-N 3.49Å; F173-L176 PolarHBondContact O-N 3.43Å; R174-L176 VanDerWaalsContact C-N 3.26Å; R174-L176 PolarHBondContact O-N 3.18Å; L176-F183 HydrophobicContact CD2-CD2 3.7Å; L176-F183 HydrophobicContact CD2-CE2 3.66Å; L176-G184 CarbonylContact O-C 3.4Å; L176-G184 WeakPolarHBondContact O-CA 3.16Å; L176-F185 HydrophobicContact CB-CD1 4.49Å; L176-F185 HydrophobicContact CB-CD2 3.67Å; L176-F185 HydrophobicContact CB-CE1 4.18Å; L176-F185 HydrophobicContact CB-CE2 3.31Å; L176-F185 HydrophobicContact CB-CG 4.26Å; L176-F185 HydrophobicContact CB-CZ 3.61Å; L176-F185 HydrophobicContact CD1-CE1 4.01Å; L176-F185 HydrophobicContact CD1-CE2 4.1Å; L176-F185 HydrophobicContact CD1-CZ 3.52Å; L176-F185 HydrophobicContact CG-CE2 4.36Å; L176-F185 HydrophobicContact CG-CZ 4.2Å; L176-F185 PolarHBondContact O-N 3.26Å; L176-F204 HydrophobicContact CD2-CE1 3.66Å; L176-F204 HydrophobicContact CD2-CZ 4.01Å
177C98.4Very high97.6Very high0 Ų039.3 Ų39.30%022%0.219CC..Hα-helixtrans-75.8-42.8170.3-65.70000111.8V143 F173 R174 C175 H179 C298 G299V143-C177 HydrophobicContact CB-CB 4.22Å; V143-C177 HydrophobicContact CG1-CB 4.22Å; F173-C177 VanDerWaalsContact CE1-SG 3.58Å; F173-C177 PolarHBondContact O-N 2.97Å; F173-C177 PolarHBondContact O-SG 3.29Å; R174-C177 WeakPolarHBondContact O-CA 3.3Å; R174-C177 WeakPolarHBondContact O-CB 3.13Å; R174-C177 PolarHBondContact O-N 2.85Å; C175-C177 VanDerWaalsContact C-N 3.29Å; C177-H179 VanDerWaalsContact C-N 3.35Å; C177-C298 HydrophobicContact CB-CB 4.44Å; C177-C298 CarbonylContact O-C 3.54Å; C177-C298 VanDerWaalsContact O-C 3.25Å; C177-C298 VanDerWaalsContact O-O 3.12Å; C177-C298 PolarHBondContact O-SG 2.68Å; C177-G299 PolarHBondContact O-N 2.94Å
178T98.1Very high97.7Very high41 Ų4137.6 Ų37.625%0.25221%0.208SC..Hα-helixtrans-79.7-15.1-176.3610000114R174 C175 E180 E300R174-T178 PolarHBondContact O-N 2.78Å; R174-T178 PolarHBondContact O-OG1 2.89Å; C175-T178 WeakPolarHBondContact CA-OG1 3.45Å; C175-T178 PolarHBondContact O-N 3.42Å; C175-T178 PolarHBondContact O-OG1 2.86Å; T178-E180 PolarHBondContact O-N 3.47Å; T178-E180 VanDerWaalsContact O-N 3.15Å; T178-E180 WeakPolarHBondContact OG1-CG 3.43Å; T178-E180 PolarHBondContact OG1-N 2.73Å; T178-E180 PolarHBondContact OG1-OE2 2.95Å; T178-E300 HydrophobicContact CG2-CB 3.6Å
179H96.9Very high97.7Very high64 Ų6434.2 Ų34.230%0.29619%0.194SC..THydrogen-bonded Turntrans62.512.7-175.3-100.8105.6000114.4C175 C177 K181 G182 F183 G184 K186C175-H179 PolarHBondContact O-N 2.91Å; C177-H179 VanDerWaalsContact C-N 3.35Å; H179-K181 PolarHBondContact O-N 3.33Å; H179-K181 VanDerWaalsContact O-N 3.1Å; H179-G182 PolarHBondContact O-N 3.1Å; H179-F183 VanDerWaalsContact CD2-CA 3.43Å; H179-F183 WeakPolarHBondContact CD2-CA 3.44Å; H179-F183 PolarHBondContact CD2-O 3.35Å; H179-G184 PolarHBondContact CD2-N 2.96Å; H179-G184 VanDerWaalsContact CD2-N 3.31Å; H179-G184 VanDerWaalsContact CE1-CA 3.45Å; H179-G184 WeakPolarHBondContact CE1-CA 3.28Å; H179-G184 WeakPolarHBondContact NE2-CA 3.22Å; H179-G184 PolarHBondContact NE2-N 3.1Å; H179-K186 WeakPolarHBondContact CE1-CB 3.32Å; H179-K186 PolarHBondContact CE1-N 2.95Å
180E96Very high97.7Very high98 Ų9834.3 Ų34.346%0.45819%0.194SC..THydrogen-bonded Turntrans-65.4-19.7-172.568.8-171.7-121.500114.3R174 C175 T178 G182R174-E180 IonicContact CZ-OE1 3.69Å; R174-E180 IonicContact CZ-OE2 2.88Å; R174-E180 VanDerWaalsContact CZ-OE2 3.28Å; R174-E180 IonicContact NH1-OE1 2.81Å; R174-E180 IonicContact NH1-OE2 3.37Å; R174-E180 PolarHBondContact NH1-OE2 2.95Å; R174-E180 IonicContact NH2-OE1 3.69Å; R174-E180 PolarHBondContact NH2-OE1 3.49Å; R174-E180 IonicContact NH2-OE2 2.73Å; R174-E180 PolarHBondContact NH2-OE2 2.93Å; C175-E180 HydrophobicContact CB-CG 4.32Å; C175-E180 PolarHBondContact SG-OE1 3.18Å; C175-E180 VanDerWaalsContact SG-OE1 3.41Å; T178-E180 PolarHBondContact O-N 3.47Å; T178-E180 VanDerWaalsContact O-N 3.15Å; T178-E180 WeakPolarHBondContact OG1-CG 3.43Å; T178-E180 PolarHBondContact OG1-N 2.73Å; T178-E180 PolarHBondContact OG1-OE2 2.95Å; E180-G182 VanDerWaalsContact C-N 3.3Å
181K94.4Very high97.6Very high119 Ų11935.9 Ų35.952%0.51720%0.201SC..THydrogen-bonded Turntrans-89.89.6173.6-56.9-60.3-176.9-179.30113.2C175 H179 F183 I215C175-K181 HydrophobicContact CB-CG 4.21Å; H179-K181 PolarHBondContact O-N 3.33Å; H179-K181 VanDerWaalsContact O-N 3.1Å; K181-F183 VanDerWaalsContact C-N 3.34Å; K181-F183 HydrophobicContact CB-CD1 4.47Å; K181-F183 HydrophobicContact CB-CE1 4Å; K181-F183 HydrophobicContact CB-CZ 4.29Å; K181-F183 VanDerWaalsContact O-CD1 3.27Å; K181-F183 WeakPolarHBondContact O-CD1 3.39Å; K181-F183 WeakPolarHBondContact O-CE1 3.2Å; K181-I215 HydrophobicContact CG-CB 4.38Å; K181-I215 HydrophobicContact CG-CG2 3.94Å
182G96.1Very high97.6Very high70 Ų7037.1 Ų37.172%0.72220%0.203SC*.SBendtrans83.22.8178.900000115.1H179 E180H179-G182 PolarHBondContact O-N 3.1Å; E180-G182 VanDerWaalsContact C-N 3.3Å
183F97.1Very high97.6Very high43 Ų4337 Ų3719%0.18920%0.203CC..  trans-151163.2175.260.1-90.7000110L176 H179 K181 F204 K213L176-F183 HydrophobicContact CD2-CD2 3.7Å; L176-F183 HydrophobicContact CD2-CE2 3.66Å; H179-F183 VanDerWaalsContact CD2-CA 3.43Å; H179-F183 WeakPolarHBondContact CD2-CA 3.44Å; H179-F183 PolarHBondContact CD2-O 3.35Å; K181-F183 VanDerWaalsContact C-N 3.34Å; K181-F183 HydrophobicContact CB-CD1 4.47Å; K181-F183 HydrophobicContact CB-CE1 4Å; K181-F183 HydrophobicContact CB-CZ 4.29Å; K181-F183 VanDerWaalsContact O-CD1 3.27Å; K181-F183 WeakPolarHBondContact O-CD1 3.39Å; K181-F183 WeakPolarHBondContact O-CE1 3.2Å; F183-F204 HydrophobicContact CB-CE2 4.31Å; F183-F204 HydrophobicContact CD2-CE1 4.38Å; F183-F204 AromaticContact CD2-CE2 3.85Å; F183-F204 HydrophobicContact CD2-CE2 3.85Å; F183-F204 AromaticContact CD2-CZ 3.51Å; F183-F204 HydrophobicContact CD2-CZ 3.51Å; F183-F204 HydrophobicContact CE2-CZ 4.06Å; F183-F204 HydrophobicContact CG-CE2 4.42Å; F183-F204 HydrophobicContact CG-CZ 4.49Å; F183-K213 HydrophobicContact CD2-CG 4.4Å; F183-K213 HydrophobicContact CE2-CD 4.34Å; F183-K213 HydrophobicContact CE2-CG 4.05Å; F183-K213 HydrophobicContact CZ-CD 4.41Å
184G97.6Very high97.6Very high4 Ų438.3 Ų38.34%0.04121%0.209CC..  trans165.5-170.7-168.200000114.2L176 H179 F204L176-G184 CarbonylContact O-C 3.4Å; L176-G184 WeakPolarHBondContact O-CA 3.16Å; H179-G184 PolarHBondContact CD2-N 2.96Å; H179-G184 VanDerWaalsContact CD2-N 3.31Å; H179-G184 VanDerWaalsContact CE1-CA 3.45Å; H179-G184 WeakPolarHBondContact CE1-CA 3.28Å; H179-G184 WeakPolarHBondContact NE2-CA 3.22Å; H179-G184 PolarHBondContact NE2-N 3.1Å; G184-F204 WeakPolarHBondContact O-CB 3.38Å
185F98.7Very high97.5Very high0 Ų039 Ų390%022%0.217CC..SBendtrans-82-22.5-168.6-64-49.6000115.3M145 F173 L176 G187 S188 F204 S247 F249 I295M145-F185 HydrophobicContact CE-CB 4.5Å; M145-F185 HydrophobicContact CE-CD2 3.63Å; M145-F185 HydrophobicContact CE-CE2 4.09Å; M145-F185 HydrophobicContact CE-CG 4.24Å; F173-F185 AromaticContact CD2-CE2 3.62Å; F173-F185 HydrophobicContact CD2-CE2 3.62Å; F173-F185 AromaticContact CD2-CZ 3.86Å; F173-F185 HydrophobicContact CD2-CZ 3.86Å; F173-F185 AromaticContact CE2-CE2 3.61Å; F173-F185 HydrophobicContact CE2-CE2 3.61Å; F173-F185 AromaticContact CE2-CZ 3.92Å; F173-F185 HydrophobicContact CE2-CZ 3.92Å; F173-F185 HydrophobicContact CG-CE2 4.15Å; F173-F185 HydrophobicContact CZ-CE2 4.14Å; L176-F185 HydrophobicContact CB-CD1 4.49Å; L176-F185 HydrophobicContact CB-CD2 3.67Å; L176-F185 HydrophobicContact CB-CE1 4.18Å; L176-F185 HydrophobicContact CB-CE2 3.31Å; L176-F185 HydrophobicContact CB-CG 4.26Å; L176-F185 HydrophobicContact CB-CZ 3.61Å; L176-F185 HydrophobicContact CD1-CE1 4.01Å; L176-F185 HydrophobicContact CD1-CE2 4.1Å; L176-F185 HydrophobicContact CD1-CZ 3.52Å; L176-F185 HydrophobicContact CG-CE2 4.36Å; L176-F185 HydrophobicContact CG-CZ 4.2Å; L176-F185 PolarHBondContact O-N 3.26Å; F185-G187 PolarHBondContact O-N 2.98Å; F185-S188 VanDerWaalsContact O-CB 3.26Å; F185-S188 WeakPolarHBondContact O-CB 3.48Å; F185-S188 PolarHBondContact O-N 2.84Å; F185-S188 PolarHBondContact O-OG 2.85Å; F185-F204 HydrophobicContact CD1-CD1 4.22Å; F185-F204 HydrophobicContact CE1-CD1 4.42Å; F185-S247 VanDerWaalsContact CE1-O 3.22Å; F185-S247 WeakPolarHBondContact CE1-O 3.5Å; F185-S247 WeakPolarHBondContact CZ-O 3.34Å; F185-F249 HydrophobicContact CD1-CE1 4.21Å; F185-F249 HydrophobicContact CE1-CD1 4.04Å; F185-F249 AromaticContact CE1-CE1 3.92Å; F185-F249 HydrophobicContact CE1-CE1 3.92Å; F185-F249 HydrophobicContact CE2-CE1 4.3Å; F185-F249 AromaticContact CZ-CD1 3.91Å; F185-F249 HydrophobicContact CZ-CD1 3.91Å; F185-F249 AromaticContact CZ-CE1 3.96Å; F185-F249 HydrophobicContact CZ-CE1 3.96Å; F185-I295 HydrophobicContact CB-CD1 3.98Å; F185-I295 HydrophobicContact CB-CG2 4.46Å
186K98.1Very high97.3Very high112 Ų11245.1 Ų45.149%0.48725%0.245SC..THydrogen-bonded Turntrans-53.3124.9178.2-173.5173.9179.2157.30111.2H179 S188 D297 C298H179-K186 WeakPolarHBondContact CE1-CB 3.32Å; H179-K186 PolarHBondContact CE1-N 2.95Å; K186-S188 VanDerWaalsContact C-N 3.33Å; K186-D297 WeakPolarHBondContact CD-OD1 3.48Å; K186-D297 WeakPolarHBondContact CE-OD1 3.43Å; K186-D297 IonicContact NZ-OD1 3.74Å; K186-D297 PolarHBondContact NZ-OD1 3.3Å; K186-C298 PolarHBondContact N-SG 3.34Å; K186-C298 VanDerWaalsContact N-SG 3.37Å
187G96.8Very high97.2Very high50 Ų5047 Ų4752%0.51525%0.254SS..THydrogen-bonded Turntrans87-11.6-176.900000115F185 I295F185-G187 PolarHBondContact O-N 2.98Å; G187-I295 WeakPolarHBondContact CA-O 3.37Å; G187-I295 PolarHBondContact N-O 3.41Å
188S98Very high97.2Very high1 Ų147.1 Ų47.11%0.00725%0.254CS..  trans-77.3166.7175.976.40000112.1F185 K186 I295F185-S188 VanDerWaalsContact O-CB 3.26Å; F185-S188 WeakPolarHBondContact O-CB 3.48Å; F185-S188 PolarHBondContact O-N 2.84Å; F185-S188 PolarHBondContact O-OG 2.85Å; K186-S188 VanDerWaalsContact C-N 3.33Å; S188-I295 PolarHBondContact O-N 3.49Å
189S97.6Very high97.2Very high25 Ų2545.1 Ų45.118%0.17524%0.242CC..EExtended strand (participates in β ladder)trans-120.7153.3-17559.40000113.1H191 V293S189-H191 PolarHBondContact O-N 3.5Å; S189-V293 CarbonylContact C-O 3.25Å; S189-V293 WeakPolarHBondContact CA-O 3.15Å; S189-V293 VanDerWaalsContact CB-O 3.27Å; S189-V293 WeakPolarHBondContact CB-O 3.03Å
190F98.4Very high97.3Very high2 Ų243.4 Ų43.41%0.00923%0.234CC..EExtended strand (participates in β ladder)trans-75.8100.1159.1-68.7-95.6000107.9I147 V193 C199 Q200 F249 I251 M279 P289 V293 I295I147-F190 HydrophobicContact CD1-CE2 3.79Å; F190-V193 HydrophobicContact CB-CG2 4.07Å; F190-C199 HydrophobicContact CD1-CB 3.95Å; F190-C199 HydrophobicContact CE1-CB 4.31Å; F190-Q200 CarbonylContact C-O 3.55Å; F190-Q200 WeakPolarHBondContact CA-O 3.2Å; F190-F249 AromaticContact CE1-CE2 3.92Å; F190-F249 HydrophobicContact CE1-CE2 3.92Å; F190-F249 HydrophobicContact CE1-CZ 4.03Å; F190-F249 HydrophobicContact CZ-CE2 4.05Å; F190-F249 AromaticContact CZ-CZ 3.87Å; F190-F249 HydrophobicContact CZ-CZ 3.87Å; F190-I251 HydrophobicContact CE1-CD1 3.82Å; F190-I251 HydrophobicContact CE1-CG1 4.45Å; F190-I251 HydrophobicContact CZ-CD1 3.9Å; F190-M279 HydrophobicContact CD1-CE 3.63Å; F190-M279 HydrophobicContact CD2-CE 3.54Å; F190-M279 HydrophobicContact CE1-CE 3.58Å; F190-M279 HydrophobicContact CE2-CE 3.47Å; F190-M279 VanDerWaalsContact CE2-CE 3.47Å; F190-M279 HydrophobicContact CG-CE 3.61Å; F190-M279 HydrophobicContact CZ-CE 3.5Å; F190-M279 VanDerWaalsContact CZ-CE 3.5Å; F190-P289 WeakPolarHBondContact O-CG 3.49Å; F190-V293 HydrophobicContact CB-CB 4.09Å; F190-V293 HydrophobicContact CB-CG1 4.1Å; F190-V293 HydrophobicContact CD2-CG1 3.8Å; F190-V293 HydrophobicContact CG-CG1 4.24Å; F190-V293 PolarHBondContact N-O 3.1Å; F190-I295 HydrophobicContact CD2-CG1 4.27Å; F190-I295 HydrophobicContact CE2-CD1 3.92Å; F190-I295 HydrophobicContact CE2-CG1 3.62Å; F190-I295 HydrophobicContact CZ-CD1 4.31Å; F190-I295 HydrophobicContact CZ-CG1 4.42Å
191H97.4Very high97.4Very high32 Ų3238.8 Ų38.815%0.14821%0.212CC..  trans-88.6-16.1-171.657.9-91.1000112.5S189 Q200 G209 Q248 P289S189-H191 PolarHBondContact O-N 3.5Å; H191-Q200 PolarHBondContact N-O 2.77Å; H191-Q200 VanDerWaalsContact N-O 3.1Å; H191-G209 WeakPolarHBondContact NE2-CA 3.49Å; H191-Q248 PolarHBondContact CE1-OE1 3.29Å; H191-Q248 PolarHBondContact NE2-OE1 3.36Å; H191-P289 WeakPolarHBondContact O-CD 3.34Å
192R97.8Very high97.5Very high92 Ų9233.1 Ų33.135%0.34719%0.188SC..EExtended strand (participates in β ladder)trans-138112.1178.2-173.8-180175.4-110.22.3111.1M198 Q200 G287R192-M198 HydrophobicContact CG-CE 4.16Å; R192-Q200 HydrophobicContact CB-CB 4.2Å; R192-Q200 PolarHBondContact N-O 3.14Å; R192-Q200 WeakPolarHBondContact O-CA 3.26Å; R192-Q200 WeakPolarHBondContact O-CB 3.2Å; R192-Q200 PolarHBondContact O-N 2.95Å; R192-G287 CarbonylContact C-O 3.5Å; R192-G287 WeakPolarHBondContact CA-O 3.24Å
193V98.3Very high97.6Very high0 Ų029.8 Ų29.80%015%0.153CC..EExtended strand (participates in β ladder)trans-128.5117.8179.9-177.90000109.6F190 C199 G283 T284 G287 P289F190-V193 HydrophobicContact CB-CG2 4.07Å; V193-C199 HydrophobicContact CG1-CB 4.46Å; V193-C199 HydrophobicContact CG2-CB 4.25Å; V193-G283 WeakPolarHBondContact O-CA 3.34Å; V193-T284 PolarHBondContact O-N 2.79Å; V193-G287 PolarHBondContact N-O 2.77Å; V193-G287 CarbonylContact O-C 3.45Å; V193-G287 WeakPolarHBondContact O-CA 3.27Å; V193-P289 HydrophobicContact CB-CG 4.29Å; V193-P289 HydrophobicContact CG2-CG 3.98Å
194I97.6Very high97.5Very high27 Ų2729.1 Ų29.114%0.13815%0.15CC..EExtended strand (participates in β ladder)trans-117.6117.5179.1-62.5176.8000108.1F197 M198I194-F197 HydrophobicContact CB-CB 4.05Å; I194-F197 HydrophobicContact CB-CD1 4.02Å; I194-F197 HydrophobicContact CD1-CD1 4.03Å; I194-F197 HydrophobicContact CG2-CB 3.82Å; I194-F197 HydrophobicContact CG2-CD1 4.12Å; I194-F197 HydrophobicContact CG2-CG 4.49Å; I194-F197 PolarHBondContact O-N 3.01Å; I194-M198 HydrophobicContact CB-CE 4.04Å; I194-M198 HydrophobicContact CD1-CE 3.93Å; I194-M198 HydrophobicContact CG1-CE 3.91Å; I194-M198 PolarHBondContact N-O 2.7Å; I194-M198 PolarHBondContact O-N 2.85Å; I194-M198 VanDerWaalsContact O-N 3.11Å
195P96.9Very high97.2Very high37 Ų3732 Ų3224%0.2417%0.167CC..THydrogen-bonded Turntrans-57.3144.4176.9-22.733.5000111.9F197 E280P195-F197 PolarHBondContact O-N 3.25Å; P195-E280 HydrophobicContact CB-CG 4.23Å
196Q94.8Very high96.9Very high130 Ų13036 Ų3661%0.60719%0.189SC*.THydrogen-bonded Turntrans58.921.1-176-59.57669.200113.5E280Q196-E280 PolarHBondContact N-OE1 2.94Å; Q196-E280 PolarHBondContact NE2-OE1 2.91Å
197F96.8Very high96.5Very high40 Ų4035.3 Ų35.318%0.17519%0.187CC..THydrogen-bonded Turntrans-135.5-80.1177.5-177.4-147.5000111.1I194 P195 C253 T256 W258 L259I194-F197 HydrophobicContact CB-CB 4.05Å; I194-F197 HydrophobicContact CB-CD1 4.02Å; I194-F197 HydrophobicContact CD1-CD1 4.03Å; I194-F197 HydrophobicContact CG2-CB 3.82Å; I194-F197 HydrophobicContact CG2-CD1 4.12Å; I194-F197 HydrophobicContact CG2-CG 4.49Å; I194-F197 PolarHBondContact O-N 3.01Å; P195-F197 PolarHBondContact O-N 3.25Å; F197-C253 PolarHBondContact O-N 2.85Å; F197-T256 HydrophobicContact CD2-CG2 3.6Å; F197-T256 HydrophobicContact CE2-CG2 3.84Å; F197-W258 AromaticContact CD2-CZ2 3.67Å; F197-W258 HydrophobicContact CD2-CZ2 3.67Å; F197-W258 AromaticContact CE2-CE2 3.98Å; F197-W258 AromaticContact CE2-CZ2 3.65Å; F197-W258 HydrophobicContact CE2-CZ2 3.65Å; F197-W258 AromaticContact CE2-NE1 3.73Å; F197-L259 HydrophobicContact CE2-CD1 3.86Å; F197-L259 HydrophobicContact CZ-CD1 4.11Å
198M97.9Very high96Very high2 Ų237.6 Ų37.61%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-165.1162.5-175.758.478.6-127.600113.9R192 I194 Q200 F250 I251R192-M198 HydrophobicContact CG-CE 4.16Å; I194-M198 HydrophobicContact CB-CE 4.04Å; I194-M198 HydrophobicContact CD1-CE 3.93Å; I194-M198 HydrophobicContact CG1-CE 3.91Å; I194-M198 PolarHBondContact N-O 2.7Å; I194-M198 PolarHBondContact O-N 2.85Å; I194-M198 VanDerWaalsContact O-N 3.11Å; M198-Q200 HydrophobicContact CE-CB 4.45Å; M198-Q200 HydrophobicContact SD-CB 3.6Å; M198-F250 HydrophobicContact CB-CB 4.16Å; M198-F250 HydrophobicContact CB-CD2 3.81Å; M198-F250 HydrophobicContact CB-CG 4.32Å; M198-F250 HydrophobicContact CG-CB 4.25Å; M198-F250 HydrophobicContact CG-CD2 4.13Å; M198-F250 HydrophobicContact CG-CG 4.34Å; M198-F250 HydrophobicContact SD-CB 3.89Å; M198-F250 HydrophobicContact SD-CG 4.45Å; M198-I251 CarbonylContact C-O 3.58Å; M198-I251 WeakPolarHBondContact CA-O 3.49Å; M198-I251 VanDerWaalsContact CB-O 3.32Å; M198-I251 WeakPolarHBondContact CB-O 3.32Å
199C98.5Very high95.6Very high0 Ų038.7 Ų38.70%020%0.199CC..EExtended strand (participates in β ladder)trans-111.2109.3169.2-59.70000109.9F190 V193 F250 I251 C253 M279F190-C199 HydrophobicContact CD1-CB 3.95Å; F190-C199 HydrophobicContact CE1-CB 4.31Å; V193-C199 HydrophobicContact CG1-CB 4.46Å; V193-C199 HydrophobicContact CG2-CB 4.25Å; C199-F250 CarbonylContact O-C 3.43Å; C199-F250 WeakPolarHBondContact O-CA 3.49Å; C199-I251 PolarHBondContact N-O 2.81Å; C199-I251 PolarHBondContact O-N 2.81Å; C199-C253 VanDerWaalsContact SG-SG 3.7Å; C199-M279 HydrophobicContact CB-CE 4.01Å
200Q98.6Very high95.2Very high28 Ų2842.4 Ų42.413%0.13122%0.221CC..EExtended strand (participates in β ladder)trans-100.3133.6-179177.2-179-10.700112.3F190 H191 R192 M198 A238 F249 F250F190-Q200 CarbonylContact C-O 3.55Å; F190-Q200 WeakPolarHBondContact CA-O 3.2Å; H191-Q200 PolarHBondContact N-O 2.77Å; H191-Q200 VanDerWaalsContact N-O 3.1Å; R192-Q200 HydrophobicContact CB-CB 4.2Å; R192-Q200 PolarHBondContact N-O 3.14Å; R192-Q200 WeakPolarHBondContact O-CA 3.26Å; R192-Q200 WeakPolarHBondContact O-CB 3.2Å; R192-Q200 PolarHBondContact O-N 2.95Å; M198-Q200 HydrophobicContact CE-CB 4.45Å; M198-Q200 HydrophobicContact SD-CB 3.6Å; Q200-A238 HydrophobicContact CG-CB 4.38Å; Q200-F249 CarbonylContact C-O 3.4Å; Q200-F249 WeakPolarHBondContact CA-O 3.46Å; Q200-F250 HydrophobicContact CB-CB 4.01Å
201G98.3Very high95Very high0 Ų043 Ų430%023%0.228CC..EExtended strand (participates in β ladder)trans-145.8-161.9-179.200000112.3Q248 F249G201-Q248 VanDerWaalsContact O-CA 3.28Å; G201-Q248 WeakPolarHBondContact O-CA 2.97Å; G201-F249 PolarHBondContact N-O 2.89Å; G201-F249 PolarHBondContact O-N 3.02Å; G201-F249 VanDerWaalsContact O-N 3.1Å
202G96.9Very high94.8Very high0 Ų042.4 Ų42.40%023%0.23CC..  trans86.74173.800000116.2F204 S247G202-F204 PolarHBondContact O-N 2.92Å; G202-S247 WeakPolarHBondContact O-CB 3.24Å; G202-S247 PolarHBondContact O-OG 2.94Å
203D96.8Very high94.6Very high0 Ų042 Ų420%023%0.231CC..BIsolated β-bridgetrans-84.890.6165.7-176.6-0.4000109.7T205 N206 H207 N208 G209 T210 G211 G212 Q248D203-T205 PolarHBondContact OD1-N 3.11Å; D203-T205 PolarHBondContact OD1-OG1 3.34Å; D203-N206 PolarHBondContact OD1-N 2.61Å; D203-H207 WeakPolarHBondContact O-CA 3.48Å; D203-H207 PolarHBondContact O-ND1 2.78Å; D203-H207 PolarHBondContact OD1-N 2.99Å; D203-H207 PolarHBondContact OD2-N 3.42Å; D203-H207 VanDerWaalsContact OD2-N 3.17Å; D203-N208 PolarHBondContact OD2-N 2.84Å; D203-N208 PolarHBondContact OD2-OD1 3.5Å; D203-G209 WeakPolarHBondContact OD2-CA 3.39Å; D203-G209 PolarHBondContact OD2-N 3.15Å; D203-T210 PolarHBondContact OD2-N 3.22Å; D203-G211 VanDerWaalsContact OD1-CA 3.26Å; D203-G211 WeakPolarHBondContact OD1-CA 3.47Å; D203-G211 PolarHBondContact OD2-N 2.83Å; D203-G211 VanDerWaalsContact OD2-N 3.11Å; D203-G212 PolarHBondContact OD1-N 3.38Å; D203-Q248 HydrophobicContact CB-CG 4.09Å
204F95.5Very high94.6Very high29 Ų2942 Ų4213%0.12723%0.231CC..  trans-93.20.6177.660.4-104.8000113.6L176 F183 G184 F185 G202 H207 K213 S247L176-F204 HydrophobicContact CD2-CE1 3.66Å; L176-F204 HydrophobicContact CD2-CZ 4.01Å; F183-F204 HydrophobicContact CB-CE2 4.31Å; F183-F204 HydrophobicContact CD2-CE1 4.38Å; F183-F204 AromaticContact CD2-CE2 3.85Å; F183-F204 HydrophobicContact CD2-CE2 3.85Å; F183-F204 AromaticContact CD2-CZ 3.51Å; F183-F204 HydrophobicContact CD2-CZ 3.51Å; F183-F204 HydrophobicContact CE2-CZ 4.06Å; F183-F204 HydrophobicContact CG-CE2 4.42Å; F183-F204 HydrophobicContact CG-CZ 4.49Å; G184-F204 WeakPolarHBondContact O-CB 3.38Å; F185-F204 HydrophobicContact CD1-CD1 4.22Å; F185-F204 HydrophobicContact CE1-CD1 4.42Å; G202-F204 PolarHBondContact O-N 2.92Å; F204-H207 PolarHBondContact O-CE1 2.86Å; F204-K213 HydrophobicContact CE2-CG 3.97Å; F204-K213 HydrophobicContact CZ-CG 3.68Å; F204-K213 WeakPolarHBondContact CZ-O 3.29Å; F204-S247 VanDerWaalsContact CE1-OG 3.27Å; F204-S247 WeakPolarHBondContact CE1-OG 3.46Å
205T92.6Very high94.5Very high65 Ų6542.5 Ų42.540%0.39923%0.234SC..SBendtrans-104.3-47.3-179.567.20000112.1D203 G211 G212D203-T205 PolarHBondContact OD1-N 3.11Å; D203-T205 PolarHBondContact OD1-OG1 3.34Å; T205-G211 VanDerWaalsContact OG1-CA 3.26Å; T205-G211 WeakPolarHBondContact OG1-CA 3.45Å; T205-G212 PolarHBondContact OG1-N 3.34Å
206N91.7Very high94.4Very high83 Ų8343.2 Ų43.244%0.44423%0.232SC..SBendtrans-110.8-16.8-175.5-631000112.3D203 N208 T210D203-N206 PolarHBondContact OD1-N 2.61Å; N206-N208 WeakPolarHBondContact CB-OD1 3.48Å; N206-N208 PolarHBondContact O-N 2.95Å; N206-T210 PolarHBondContact ND2-OG1 2.75Å
207H89.4Confident94.3Very high99 Ų9938.6 Ų38.646%0.45822%0.219SC..SBendtrans56.728177.9-53.8-70.4000114.6D203 F204D203-H207 WeakPolarHBondContact O-CA 3.48Å; D203-H207 PolarHBondContact O-ND1 2.78Å; D203-H207 PolarHBondContact OD1-N 2.99Å; D203-H207 PolarHBondContact OD2-N 3.42Å; D203-H207 VanDerWaalsContact OD2-N 3.17Å; F204-H207 PolarHBondContact O-CE1 2.86Å
208N86.6Confident93.9Very high97 Ų9747.2 Ų47.252%0.51925%0.25SS..SBendtrans-140.53.7-174.566.711.8000114.3D203 N206 T210D203-N208 PolarHBondContact OD2-N 2.84Å; D203-N208 PolarHBondContact OD2-OD1 3.5Å; N206-N208 WeakPolarHBondContact CB-OD1 3.48Å; N206-N208 PolarHBondContact O-N 2.95Å; N208-T210 WeakPolarHBondContact OD1-CB 3.23Å; N208-T210 WeakPolarHBondContact OD1-CG2 3.38Å; N208-T210 PolarHBondContact OD1-N 3.06Å; N208-T210 PolarHBondContact OD1-OG1 3.28Å
209G89.1Confident93.5Very high25 Ų2552.7 Ų52.726%0.25827%0.274SS..SBendtrans92.11.4-179.700000114.4H191 D203 Q248H191-G209 WeakPolarHBondContact NE2-CA 3.49Å; D203-G209 WeakPolarHBondContact OD2-CA 3.39Å; D203-G209 PolarHBondContact OD2-N 3.15Å; G209-Q248 PolarHBondContact O-NE2 3.48Å; G209-Q248 PolarHBondContact O-OE1 3.47Å
210T90.4Very high93.3Very high103 Ų10353.3 Ų53.363%0.63228%0.277SS*.SBendtrans-100.5-11.6177.666.70000113.8D203 N206 N208D203-T210 PolarHBondContact OD2-N 3.22Å; N206-T210 PolarHBondContact ND2-OG1 2.75Å; N208-T210 WeakPolarHBondContact OD1-CB 3.23Å; N208-T210 WeakPolarHBondContact OD1-CG2 3.38Å; N208-T210 PolarHBondContact OD1-N 3.06Å; N208-T210 PolarHBondContact OD1-OG1 3.28Å
211G92.3Very high93.1Very high14 Ų1457.1 Ų57.114%0.14430%0.298CS..  trans-104.6-157.2-174.300000114.3D203 T205 Q248D203-G211 VanDerWaalsContact OD1-CA 3.26Å; D203-G211 WeakPolarHBondContact OD1-CA 3.47Å; D203-G211 PolarHBondContact OD2-N 2.83Å; D203-G211 VanDerWaalsContact OD2-N 3.11Å; T205-G211 VanDerWaalsContact OG1-CA 3.26Å; T205-G211 WeakPolarHBondContact OG1-CA 3.45Å; G211-Q248 PolarHBondContact O-NE2 2.93Å
212G94.4Very high93Very high20 Ų2058.3 Ų58.321%0.20630%0.304CS..  trans95.9157-175.600000113.7D203 T205 S247D203-G212 PolarHBondContact OD1-N 3.38Å; T205-G212 PolarHBondContact OG1-N 3.34Å; G212-S247 WeakPolarHBondContact CA-OG 3.33Å
213K93.6Very high92.9Very high82 Ų8260.9 Ų60.936%0.35732%0.316SS..  trans-154.4148.9175.262.9173.8-175.6171.50109.7F183 F204 S247F183-K213 HydrophobicContact CD2-CG 4.4Å; F183-K213 HydrophobicContact CE2-CD 4.34Å; F183-K213 HydrophobicContact CE2-CG 4.05Å; F183-K213 HydrophobicContact CZ-CD 4.41Å; F204-K213 HydrophobicContact CE2-CG 3.97Å; F204-K213 HydrophobicContact CZ-CG 3.68Å; F204-K213 WeakPolarHBondContact CZ-O 3.29Å; K213-S247 PolarHBondContact N-OG 3.09Å; K213-S247 WeakPolarHBondContact O-CB 3.28Å
214S97.4Very high92.8Very high2 Ų262.9 Ų62.91%0.01433%0.327CS..BIsolated β-bridgetrans-83.7174.2174.870.30000111.2N172 Y216 G217N172-S214 WeakPolarHBondContact OD1-CA 3.42Å; N172-S214 WeakPolarHBondContact OD1-CB 3.19Å; S214-Y216 PolarHBondContact O-N 3.2Å; S214-Y216 PolarHBondContact OG-N 3.14Å; S214-Y216 VanDerWaalsContact OG-N 3.15Å; S214-G217 PolarHBondContact N-O 3.11Å; S214-G217 VanDerWaalsContact O-O 3.08Å; S214-G217 PolarHBondContact OG-N 3Å; S214-G217 PolarHBondContact OG-O 3.05Å; S214-G217 VanDerWaalsContact OG-O 3.14Å
215I96.8Very high92.8Very high36 Ų3664.2 Ų64.219%0.18533%0.333CS..THydrogen-bonded Turntrans-70.3-13.5168.466.8172.2000113.1E171 N172 C175 K181E171-I215 HydrophobicContact CG-CD1 4.09Å; N172-I215 HydrophobicContact CB-CG1 4.24Å; N172-I215 PolarHBondContact OD1-N 3.5Å; C175-I215 HydrophobicContact CB-CD1 4.13Å; C175-I215 HydrophobicContact CB-CG2 3.55Å; K181-I215 HydrophobicContact CG-CB 4.38Å; K181-I215 HydrophobicContact CG-CG2 3.94Å
216Y94.6Very high93Very high53 Ų5365.8 Ų65.821%0.20834%0.342CS..THydrogen-bonded Turntrans-100.77.4-178.9-43.1-65.4000112.8Y41 M168 N172 S214 F220Y41-Y216 PolarHBondContact OH-O 2.7Å; M168-Y216 HydrophobicContact CB-CE2 4.4Å; M168-Y216 HydrophobicContact CE-CE2 4.41Å; M168-Y216 WeakPolarHBondContact O-CE2 3.46Å; M168-Y216 PolarHBondContact O-OH 2.77Å; N172-Y216 HydrophobicContact CB-CE2 3.87Å; S214-Y216 PolarHBondContact O-N 3.2Å; S214-Y216 PolarHBondContact OG-N 3.14Å; S214-Y216 VanDerWaalsContact OG-N 3.15Å; Y216-F220 HydrophobicContact CD2-CB 4.14Å; Y216-F220 HydrophobicContact CD2-CD1 4.22Å; Y216-F220 HydrophobicContact CD2-CG 4.06Å
217G92.3Very high93.1Very high32 Ų3263.4 Ų63.433%0.3333%0.329SS..BIsolated β-bridgetrans124.2-150.5-177.200000112.7S214S214-G217 PolarHBondContact N-O 3.11Å; S214-G217 VanDerWaalsContact O-O 3.08Å; S214-G217 PolarHBondContact OG-N 3Å; S214-G217 PolarHBondContact OG-O 3.05Å; S214-G217 VanDerWaalsContact OG-O 3.14Å
218R87.4Confident93.5Very high222 Ų22262 Ų6284%0.83832%0.322SS*.SBendtrans-71.3-44-178.1-70.9-172.8-179.5-158.51112.1
219K91.2Very high94Very high116 Ų11657.4 Ų57.450%0.50430%0.297SS..  trans-142158.9-176.1-70177.6168-169.30110.5S240 N245K219-S240 PolarHBondContact NZ-OG 3.18Å; K219-N245 CarbonylContact C-O 3.55Å; K219-N245 WeakPolarHBondContact CA-O 3.5Å
220F93.5Very high94.4Very high14 Ų1460.5 Ų60.56%0.06131%0.311CS..BIsolated β-bridgetrans-142.6164.1170.871.5-81.5000111.2T169 N172 Y216 M237 N243 N245 G246T169-F220 HydrophobicContact CG2-CE2 4.49Å; T169-F220 HydrophobicContact CG2-CZ 4.26Å; N172-F220 HydrophobicContact CB-CE1 4.46Å; N172-F220 HydrophobicContact CB-CZ 4.47Å; Y216-F220 HydrophobicContact CD2-CB 4.14Å; Y216-F220 HydrophobicContact CD2-CD1 4.22Å; Y216-F220 HydrophobicContact CD2-CG 4.06Å; F220-M237 HydrophobicContact CE1-CE 4.12Å; F220-M237 HydrophobicContact CZ-CE 4.09Å; F220-N243 CarbonylContact O-C 3.55Å; F220-N245 HydrophobicContact CD1-CB 3.75Å; F220-N245 WeakPolarHBondContact CD1-O 3.21Å; F220-N245 HydrophobicContact CD2-CB 4.14Å; F220-N245 HydrophobicContact CE1-CB 3.43Å; F220-N245 VanDerWaalsContact CE1-CB 3.43Å; F220-N245 HydrophobicContact CE2-CB 3.84Å; F220-N245 HydrophobicContact CG-CB 4.1Å; F220-N245 HydrophobicContact CZ-CB 3.48Å; F220-N245 VanDerWaalsContact CZ-CB 3.48Å; F220-N245 PolarHBondContact N-O 2.88Å; F220-N245 WeakPolarHBondContact O-CB 3.39Å; F220-N245 PolarHBondContact O-N 3Å; F220-G246 WeakPolarHBondContact CE1-O 3.11Å
221D94Very high94.6Very high108 Ų10857.8 Ų57.858%0.57830%0.299SS*.  trans-70.6161.6-171.5-64.8-11.4000113.6E223 N243 N245D221-E223 PolarHBondContact O-N 3.28Å; D221-N243 HydrophobicContact CB-CB 4.29Å; D221-N243 WeakPolarHBondContact OD1-CB 3.41Å; D221-N245 PolarHBondContact O-ND2 3.43Å
222D95.4Very high94.9Very high24 Ų2459 Ų5913%0.12831%0.308CS..  trans-73.4108.7169.2-65.4-50.7000109.4F225 A242 N243 N245 V264D222-F225 HydrophobicContact CB-CE1 4.11Å; D222-F225 HydrophobicContact CB-CE2 4.21Å; D222-F225 HydrophobicContact CB-CZ 3.56Å; D222-A242 WeakPolarHBondContact OD2-CA 3.3Å; D222-N243 PolarHBondContact N-OD1 2.99Å; D222-N243 PolarHBondContact OD2-N 3.45Å; D222-N245 WeakPolarHBondContact CA-ND2 3.38Å; D222-N245 PolarHBondContact N-ND2 2.86Å; D222-N245 PolarHBondContact OD1-ND2 3.01Å; D222-V264 HydrophobicContact CB-CG2 3.89Å
223E95.2Very high95Very high54 Ų5458.2 Ų58.225%0.25230%0.299SS..  trans-65.1-48.3-171.5-174.2167.3-166.400113.2V166 P167 M168 T169 D221V166-E223 VanDerWaalsContact C-CD 3.45Å; V166-E223 VanDerWaalsContact CA-CD 3.4Å; V166-E223 WeakPolarHBondContact CA-OE2 3.31Å; V166-E223 HydrophobicContact CB-CG 4.41Å; V166-E223 VanDerWaalsContact CB-OE2 3.28Å; V166-E223 WeakPolarHBondContact CB-OE2 3.48Å; V166-E223 HydrophobicContact CG1-CB 4.21Å; V166-E223 HydrophobicContact CG1-CG 4.21Å; P167-E223 WeakPolarHBondContact CD-OE1 3.36Å; P167-E223 VanDerWaalsContact CG-OE1 3.23Å; P167-E223 WeakPolarHBondContact CG-OE1 3.19Å; P167-E223 VanDerWaalsContact N-OE1 3.09Å; M168-E223 PolarHBondContact N-OE1 3.18Å; M168-E223 PolarHBondContact N-OE2 3.18Å; M168-E223 VanDerWaalsContact N-OE2 3.1Å; T169-E223 PolarHBondContact N-OE2 3.02Å; T169-E223 PolarHBondContact OG1-OE2 3.07Å; D221-E223 PolarHBondContact O-N 3.28Å
224N94.8Very high95.3Very high42 Ų4255.4 Ų55.423%0.22529%0.288CS..  trans-169.8172.7165.161.278.9000110.4I165 V166 V226I165-N224 PolarHBondContact O-ND2 2.69Å; V166-N224 WeakPolarHBondContact CG1-ND2 3.1Å; N224-V226 HydrophobicContact CB-CG2 4.29Å; N224-V226 WeakPolarHBondContact OD1-CB 3.4Å; N224-V226 VanDerWaalsContact OD1-CG2 3.32Å; N224-V226 WeakPolarHBondContact OD1-CG2 3.48Å; N224-V226 PolarHBondContact OD1-N 3.28Å; N224-V226 VanDerWaalsContact OD1-N 3.09Å
225F96.3Very high95.3Very high57 Ų5755.3 Ų55.325%0.2529%0.287CS..  trans-118.335.1177.1-54.9-70.4000112.2D222 K228 N261 V264D222-F225 HydrophobicContact CB-CE1 4.11Å; D222-F225 HydrophobicContact CB-CE2 4.21Å; D222-F225 HydrophobicContact CB-CZ 3.56Å; F225-K228 VanDerWaalsContact O-CE 3.3Å; F225-K228 WeakPolarHBondContact O-CE 3.39Å; F225-K228 PolarHBondContact O-NZ 3.01Å; F225-N261 HydrophobicContact CB-CB 4.46Å; F225-N261 HydrophobicContact CD2-CB 4.38Å; F225-N261 HydrophobicContact CG-CB 4.33Å; F225-N261 WeakPolarHBondContact CZ-O 3.38Å; F225-V264 HydrophobicContact CD1-CG2 4.3Å; F225-V264 HydrophobicContact CE1-CG2 3.94Å
226V95.6Very high95.4Very high98 Ų9853.6 Ų53.659%0.59428%0.278SS*.  trans-66.3-45.4-179.1173.30000110.8I165 N224I165-V226 HydrophobicContact CG2-CB 3.95Å; I165-V226 HydrophobicContact CG2-CG1 4.25Å; N224-V226 HydrophobicContact CB-CG2 4.29Å; N224-V226 WeakPolarHBondContact OD1-CB 3.4Å; N224-V226 VanDerWaalsContact OD1-CG2 3.32Å; N224-V226 WeakPolarHBondContact OD1-CG2 3.48Å; N224-V226 PolarHBondContact OD1-N 3.28Å; N224-V226 VanDerWaalsContact OD1-N 3.09Å
227L95.1Very high95.6Very high34 Ų3451.1 Ų51.118%0.17827%0.269CS..SBendtrans-77.4142.3175.8-66.3173.3000110.8R162 I165 V265R162-L227 HydrophobicContact CB-CD1 3.73Å; R162-L227 HydrophobicContact CG-CD1 3.74Å; I165-L227 HydrophobicContact CB-CD1 4.46Å; I165-L227 HydrophobicContact CD1-CD1 4.11Å; I165-L227 HydrophobicContact CD1-CD2 3.68Å; I165-L227 HydrophobicContact CD1-CG 3.86Å; I165-L227 HydrophobicContact CG2-CD1 4.45Å; I165-L227 HydrophobicContact CG2-CG 4.32Å; L227-V265 HydrophobicContact CB-CB 3.65Å; L227-V265 HydrophobicContact CB-CG1 3.79Å; L227-V265 HydrophobicContact CD1-CG1 4.47Å; L227-V265 WeakPolarHBondContact CD1-O 3.44Å
228K97.4Very high95.8Very high69 Ų6950.1 Ų50.130%0.326%0.257SS..  trans-123.1156.5-172-57.4-57.3-176.3-169.80111.5F225 T230 Q234 D260 N261F225-K228 VanDerWaalsContact O-CE 3.3Å; F225-K228 WeakPolarHBondContact O-CE 3.39Å; F225-K228 PolarHBondContact O-NZ 3.01Å; K228-T230 VanDerWaalsContact C-N 3.27Å; K228-T230 HydrophobicContact CB-CG2 3.96Å; K228-T230 PolarHBondContact O-N 3.36Å; K228-Q234 PolarHBondContact O-NE2 2.76Å; K228-Q234 PolarHBondContact O-OE1 3.48Å; K228-D260 HydrophobicContact CD-CB 4.09Å; K228-N261 PolarHBondContact NZ-OD1 2.94Å
229H98Very high96Very high1 Ų141.4 Ų41.41%0.00523%0.227CC..  trans-83.167.3-179.3-57.984.3000111.4Q234 S236 F250 K255 T256 D260 H263 V265H229-Q234 VanDerWaalsContact C-OE1 3.24Å; H229-Q234 VanDerWaalsContact CA-OE1 3.25Å; H229-S236 WeakPolarHBondContact NE2-CB 3.35Å; H229-S236 PolarHBondContact NE2-OG 3.01Å; H229-F250 AromaticContact NE2-CE2 3.98Å; H229-F250 AromaticContact NE2-CZ 3.63Å; H229-K255 WeakPolarHBondContact O-CG 3.32Å; H229-T256 VanDerWaalsContact CB-O 3.27Å; H229-T256 WeakPolarHBondContact CB-O 3.38Å; H229-T256 VanDerWaalsContact CB-OG1 3.32Å; H229-T256 WeakPolarHBondContact CB-OG1 3.5Å; H229-T256 PolarHBondContact O-N 3.04Å; H229-D260 IonicContact CE1-OD1 3.86Å; H229-D260 IonicContact CG-OD1 3.68Å; H229-D260 PolarHBondContact N-OD1 2.81Å; H229-D260 IonicContact ND1-OD1 2.75Å; H229-D260 PolarHBondContact ND1-OD1 2.62Å; H229-H263 PolarHBondContact CE1-O 3.12Å; H229-V265 WeakPolarHBondContact CE1-CG2 3.48Å; H229-V265 WeakPolarHBondContact NE2-CG2 3.42Å
230T96.8Very high95.8Very high90 Ų9040.2 Ų40.255%0.55223%0.234SC*.  trans-86.9-18.5-172.651.30000114.6K228 Q234K228-T230 VanDerWaalsContact C-N 3.27Å; K228-T230 HydrophobicContact CB-CG2 3.96Å; K228-T230 PolarHBondContact O-N 3.36Å; T230-Q234 PolarHBondContact OG1-NE2 3.2Å
231A95.5Very high95.4Very high46 Ų4641.3 Ų41.338%0.3825%0.249SC..SBendtrans-155169-172.600000113.2Q234 T252A231-Q234 PolarHBondContact O-OE1 2.96Å; A231-Q234 VanDerWaalsContact O-OE1 3.11Å; A231-T252 PolarHBondContact O-OG1 2.81Å
232A97.4Very high95.1Very high40 Ų4040 Ų4033%0.33125%0.253SS..THydrogen-bonded Turntrans-67.9153166.900000111.6T252 C253 M273A232-T252 WeakPolarHBondContact CA-OG1 3.36Å; A232-C253 WeakPolarHBondContact CB-O 3.36Å; A232-M273 HydrophobicContact CB-CE 4.37Å
233G97.3Very high94.9Very high2 Ų242.8 Ų42.82%0.02127%0.268CS..THydrogen-bonded Turntrans82.811.3178.800000114.7T252 E268 L269G233-T252 PolarHBondContact N-O 3.39Å; G233-T252 PolarHBondContact N-OG1 2.89Å; G233-E268 CarbonylContact O-C 3.53Å; G233-L269 VanDerWaalsContact O-CB 3.27Å; G233-L269 WeakPolarHBondContact O-CB 3.5Å; G233-L269 PolarHBondContact O-N 3.16Å
234Q98.6Very high94.8Very high23 Ų2340.7 Ų40.711%0.10726%0.26CS..EExtended strand (participates in β ladder)trans-88.2140.7176.3-61.9-177.2-66.400110.8K228 H229 T230 A231 I251 T252 V265K228-Q234 PolarHBondContact O-NE2 2.76Å; K228-Q234 PolarHBondContact O-OE1 3.48Å; H229-Q234 VanDerWaalsContact C-OE1 3.24Å; H229-Q234 VanDerWaalsContact CA-OE1 3.25Å; T230-Q234 PolarHBondContact OG1-NE2 3.2Å; A231-Q234 PolarHBondContact O-OE1 2.96Å; A231-Q234 VanDerWaalsContact O-OE1 3.11Å; Q234-I251 WeakPolarHBondContact O-CA 3.27Å; Q234-T252 HydrophobicContact CB-CG2 4.35Å; Q234-T252 PolarHBondContact N-OG1 3.28Å; Q234-T252 PolarHBondContact O-N 3.41Å; Q234-V265 HydrophobicContact CB-CG1 4.45Å
235L98.6Very high94.8Very high0 Ų038.7 Ų38.70%025%0.249CC..EExtended strand (participates in β ladder)trans-90.6131.5172.8-76.8174.4000110.3F159 L161 F173 F249 I251 V265 F266 G267F159-L235 HydrophobicContact CB-CD1 3.75Å; F159-L235 HydrophobicContact CD1-CD1 3.45Å; F159-L235 VanDerWaalsContact CD1-CD1 3.45Å; F159-L235 HydrophobicContact CD1-CD2 4.09Å; F159-L235 HydrophobicContact CD1-CG 3.61Å; F159-L235 HydrophobicContact CD2-CD1 4.32Å; F159-L235 HydrophobicContact CE1-CD1 4.04Å; F159-L235 HydrophobicContact CE1-CD2 3.79Å; F159-L235 HydrophobicContact CE1-CG 3.79Å; F159-L235 HydrophobicContact CG-CD1 3.59Å; F159-L235 HydrophobicContact CG-CG 4.26Å; F159-L235 HydrophobicContact CZ-CD2 4.16Å; L161-L235 HydrophobicContact CD2-CD1 3.89Å; F173-L235 HydrophobicContact CE1-CD1 3.97Å; F173-L235 HydrophobicContact CZ-CD1 4.03Å; F173-L235 HydrophobicContact CZ-CD2 4.14Å; L235-F249 HydrophobicContact CD2-CD2 3.74Å; L235-F249 HydrophobicContact CD2-CE2 4Å; L235-I251 HydrophobicContact CD2-CG1 3.82Å; L235-V265 WeakPolarHBondContact O-CA 3.27Å; L235-F266 HydrophobicContact CB-CD1 4.45Å; L235-F266 HydrophobicContact CB-CD2 4.27Å; L235-F266 HydrophobicContact CB-CE1 4.06Å; L235-F266 HydrophobicContact CB-CE2 3.85Å; L235-F266 HydrophobicContact CB-CZ 3.74Å; L235-F266 HydrophobicContact CD1-CE2 3.86Å; L235-F266 HydrophobicContact CD1-CZ 4.28Å; L235-F266 HydrophobicContact CD2-CZ 4.45Å; L235-F266 HydrophobicContact CG-CE2 4.4Å; L235-F266 HydrophobicContact CG-CZ 4.4Å; L235-F266 PolarHBondContact O-N 3.32Å; L235-G267 PolarHBondContact N-O 3.48Å
236S98.6Very high94.9Very high0 Ų036.4 Ų36.40%024%0.241CC..EExtended strand (participates in β ladder)trans-145.6148.5178.8-173.30000112H229 F249 F250 H263 V264 F266H229-S236 WeakPolarHBondContact NE2-CB 3.35Å; H229-S236 PolarHBondContact NE2-OG 3.01Å; S236-F249 CarbonylContact O-C 3.44Å; S236-F249 VanDerWaalsContact O-CA 3.29Å; S236-F249 WeakPolarHBondContact O-CA 3.19Å; S236-F250 PolarHBondContact N-O 2.8Å; S236-F250 WeakPolarHBondContact O-CD1 3.45Å; S236-F250 PolarHBondContact O-N 2.69Å; S236-F250 VanDerWaalsContact OG-CZ 3.31Å; S236-F250 WeakPolarHBondContact OG-CZ 3.38Å; S236-H263 WeakPolarHBondContact OG-CB 3.18Å; S236-V264 VanDerWaalsContact CA-O 3.3Å; S236-V264 WeakPolarHBondContact CA-O 3.47Å; S236-V264 PolarHBondContact OG-O 2.98Å; S236-F266 VanDerWaalsContact C-CE1 3.5Å
237M98.3Very high95Very high1 Ų131.9 Ų31.91%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-75.5132.3-176.6-68.4-57.2-65.500111.3T169 F220 N245 G246 Q248 F250 H263 V264 F266T169-M237 HydrophobicContact CG2-CG 3.61Å; T169-M237 HydrophobicContact CG2-SD 3.89Å; F220-M237 HydrophobicContact CE1-CE 4.12Å; F220-M237 HydrophobicContact CZ-CE 4.09Å; M237-N245 VanDerWaalsContact CB-OD1 3.27Å; M237-N245 WeakPolarHBondContact CB-OD1 3.46Å; M237-N245 HydrophobicContact CE-CB 4.01Å; M237-G246 WeakPolarHBondContact CE-O 3.1Å; M237-Q248 WeakPolarHBondContact CE-O 3.28Å; M237-F250 WeakPolarHBondContact O-CE1 3.4Å; M237-H263 WeakPolarHBondContact O-CB 3.43Å; M237-H263 PolarHBondContact O-ND1 2.83Å; M237-V264 HydrophobicContact CG-CB 4.35Å; M237-V264 PolarHBondContact N-O 2.83Å; M237-F266 HydrophobicContact CG-CD1 3.81Å; M237-F266 HydrophobicContact CG-CE1 3.85Å; M237-F266 HydrophobicContact SD-CD1 3.92Å; M237-F266 HydrophobicContact SD-CE1 3.45Å; M237-F266 WeakPolarHBondContact SD-CE1 3.01Å; M237-F266 HydrophobicContact SD-CZ 4.07Å
238A96.8Very high95.1Very high11 Ų1131.3 Ų31.39%0.09121%0.21CC..  trans-84.4135.4165.900000109.1Q200 Q248 F250Q200-A238 HydrophobicContact CG-CB 4.38Å; A238-Q248 HydrophobicContact CB-CB 3.78Å; A238-Q248 PolarHBondContact N-O 3.38Å; A238-F250 HydrophobicContact CB-CD1 4.29Å
239N92.3Very high95.2Very high39 Ų3928 Ų2821%0.20920%0.196CC..  trans-140.9170.6-178.568.732.6000110.9G241 S244 K262 H263N239-G241 PolarHBondContact OD1-N 2.8Å; N239-S244 WeakPolarHBondContact CB-OG 3.26Å; N239-K262 PolarHBondContact ND2-O 3.39Å; N239-H263 PolarHBondContact OD1-CE1 2.89Å
240S86.1Confident95.2Very high92 Ų9228.4 Ų28.464%0.64320%0.198SC*.SBendtrans-114.333.2178.273.40000111.4K219 S244K219-S240 PolarHBondContact NZ-OG 3.18Å; S240-S244 PolarHBondContact N-OG 3.25Å; S240-S244 PolarHBondContact OG-OG 2.71Å
241G85.2Confident95.3Very high37 Ų3724.1 Ų24.138%0.38117%0.171SC..SBendtrans122.9174.2-168.300000112.4N239 S244N239-G241 PolarHBondContact OD1-N 2.8Å; G241-S244 PolarHBondContact N-OG 2.97Å; G241-S244 PolarHBondContact O-OG 2.82Å
242A89.1Confident95.5Very high81 Ų8121.9 Ų21.967%0.66915%0.153SC*.THydrogen-bonded Turntrans-55.4143.7179.300000111.6D222 S244D222-A242 WeakPolarHBondContact OD2-CA 3.3Å; A242-S244 VanDerWaalsContact C-N 3.28Å; A242-S244 PolarHBondContact O-N 3.04Å
243N89.6Confident95.5Very high81 Ų8120.9 Ų20.943%0.43314%0.143SC..THydrogen-bonded Turntrans55.240.1175.1-59.4-30.8000114F220 D221 D222F220-N243 CarbonylContact O-C 3.55Å; D221-N243 HydrophobicContact CB-CB 4.29Å; D221-N243 WeakPolarHBondContact OD1-CB 3.41Å; D222-N243 PolarHBondContact N-OD1 2.99Å; D222-N243 PolarHBondContact OD2-N 3.45Å
244S92.8Very high95.4Very high11 Ų1124.8 Ų24.88%0.07716%0.164CC..  trans-127.827.9-176.9730000114.4N239 S240 G241 A242N239-S244 WeakPolarHBondContact CB-OG 3.26Å; S240-S244 PolarHBondContact N-OG 3.25Å; S240-S244 PolarHBondContact OG-OG 2.71Å; G241-S244 PolarHBondContact N-OG 2.97Å; G241-S244 PolarHBondContact O-OG 2.82Å; A242-S244 VanDerWaalsContact C-N 3.28Å; A242-S244 PolarHBondContact O-N 3.04Å
245N96Very high95.3Very high0 Ų028.4 Ų28.40%018%0.179CC..BIsolated β-bridgetrans-67.3136.1178.9-61-55.2000110.5K219 F220 D221 D222 M237K219-N245 CarbonylContact C-O 3.55Å; K219-N245 WeakPolarHBondContact CA-O 3.5Å; F220-N245 HydrophobicContact CD1-CB 3.75Å; F220-N245 WeakPolarHBondContact CD1-O 3.21Å; F220-N245 HydrophobicContact CD2-CB 4.14Å; F220-N245 HydrophobicContact CE1-CB 3.43Å; F220-N245 VanDerWaalsContact CE1-CB 3.43Å; F220-N245 HydrophobicContact CE2-CB 3.84Å; F220-N245 HydrophobicContact CG-CB 4.1Å; F220-N245 HydrophobicContact CZ-CB 3.48Å; F220-N245 VanDerWaalsContact CZ-CB 3.48Å; F220-N245 PolarHBondContact N-O 2.88Å; F220-N245 WeakPolarHBondContact O-CB 3.39Å; F220-N245 PolarHBondContact O-N 3Å; D221-N245 PolarHBondContact O-ND2 3.43Å; D222-N245 WeakPolarHBondContact CA-ND2 3.38Å; D222-N245 PolarHBondContact N-ND2 2.86Å; D222-N245 PolarHBondContact OD1-ND2 3.01Å; M237-N245 VanDerWaalsContact CB-OD1 3.27Å; M237-N245 WeakPolarHBondContact CB-OD1 3.46Å; M237-N245 HydrophobicContact CE-CB 4.01Å
246G97.2Very high95.1Very high9 Ų928.4 Ų28.49%0.09318%0.179CC..  trans-128.8-112.9178.300000110.8N172 F220 M237N172-G246 PolarHBondContact ND2-O 2.96Å; F220-G246 WeakPolarHBondContact CE1-O 3.11Å; M237-G246 WeakPolarHBondContact CE-O 3.1Å
247S98.1Very high95Very high2 Ų231.7 Ų31.71%0.01420%0.197CC..SBendtrans-113-13.5170.857.50000113.9F185 G202 F204 G212 K213F185-S247 VanDerWaalsContact CE1-O 3.22Å; F185-S247 WeakPolarHBondContact CE1-O 3.5Å; F185-S247 WeakPolarHBondContact CZ-O 3.34Å; G202-S247 WeakPolarHBondContact O-CB 3.24Å; G202-S247 PolarHBondContact O-OG 2.94Å; F204-S247 VanDerWaalsContact CE1-OG 3.27Å; F204-S247 WeakPolarHBondContact CE1-OG 3.46Å; G212-S247 WeakPolarHBondContact CA-OG 3.33Å; K213-S247 PolarHBondContact N-OG 3.09Å; K213-S247 WeakPolarHBondContact O-CB 3.28Å
248Q98.6Very high94.9Very high23 Ų2338.1 Ų38.111%0.10722%0.221CC..  trans-71.6138.5-178.5-65.5-170.349.700110.6H191 G201 D203 G209 G211 M237 A238H191-Q248 PolarHBondContact CE1-OE1 3.29Å; H191-Q248 PolarHBondContact NE2-OE1 3.36Å; G201-Q248 VanDerWaalsContact O-CA 3.28Å; G201-Q248 WeakPolarHBondContact O-CA 2.97Å; D203-Q248 HydrophobicContact CB-CG 4.09Å; G209-Q248 PolarHBondContact O-NE2 3.48Å; G209-Q248 PolarHBondContact O-OE1 3.47Å; G211-Q248 PolarHBondContact O-NE2 2.93Å; M237-Q248 WeakPolarHBondContact CE-O 3.28Å; A238-Q248 HydrophobicContact CB-CB 3.78Å; A238-Q248 PolarHBondContact N-O 3.38Å
249F98.8Very high94.8Very high0 Ų038.5 Ų38.50%022%0.221CC..EExtended strand (participates in β ladder)trans-143.8166.9-178.170.7-84.7000109.3M145 F173 F185 F190 Q200 G201 L235 S236 I251 F266 I295M145-F249 HydrophobicContact CE-CE1 4.12Å; M145-F249 HydrophobicContact CE-CE2 4.45Å; M145-F249 HydrophobicContact CE-CZ 3.7Å; M145-F249 HydrophobicContact SD-CE2 4.44Å; M145-F249 HydrophobicContact SD-CZ 3.83Å; F173-F249 HydrophobicContact CD2-CD1 4.44Å; F173-F249 HydrophobicContact CD2-CG 4.48Å; F173-F249 HydrophobicContact CE2-CB 4.15Å; F173-F249 AromaticContact CE2-CD1 3.6Å; F173-F249 HydrophobicContact CE2-CD1 3.6Å; F173-F249 AromaticContact CE2-CD2 3.87Å; F173-F249 HydrophobicContact CE2-CD2 3.87Å; F173-F249 AromaticContact CE2-CE1 3.85Å; F173-F249 HydrophobicContact CE2-CE1 3.85Å; F173-F249 HydrophobicContact CE2-CE2 4.11Å; F173-F249 AromaticContact CE2-CG 3.61Å; F173-F249 HydrophobicContact CE2-CG 3.61Å; F173-F249 HydrophobicContact CE2-CZ 4.1Å; F173-F249 HydrophobicContact CZ-CD1 4.48Å; F173-F249 HydrophobicContact CZ-CD2 4.27Å; F173-F249 HydrophobicContact CZ-CE1 4.36Å; F173-F249 HydrophobicContact CZ-CE2 4.16Å; F173-F249 HydrophobicContact CZ-CG 4.43Å; F173-F249 HydrophobicContact CZ-CZ 4.2Å; F185-F249 HydrophobicContact CD1-CE1 4.21Å; F185-F249 HydrophobicContact CE1-CD1 4.04Å; F185-F249 AromaticContact CE1-CE1 3.92Å; F185-F249 HydrophobicContact CE1-CE1 3.92Å; F185-F249 HydrophobicContact CE2-CE1 4.3Å; F185-F249 AromaticContact CZ-CD1 3.91Å; F185-F249 HydrophobicContact CZ-CD1 3.91Å; F185-F249 AromaticContact CZ-CE1 3.96Å; F185-F249 HydrophobicContact CZ-CE1 3.96Å; F190-F249 AromaticContact CE1-CE2 3.92Å; F190-F249 HydrophobicContact CE1-CE2 3.92Å; F190-F249 HydrophobicContact CE1-CZ 4.03Å; F190-F249 HydrophobicContact CZ-CE2 4.05Å; F190-F249 AromaticContact CZ-CZ 3.87Å; F190-F249 HydrophobicContact CZ-CZ 3.87Å; Q200-F249 CarbonylContact C-O 3.4Å; Q200-F249 WeakPolarHBondContact CA-O 3.46Å; G201-F249 PolarHBondContact N-O 2.89Å; G201-F249 PolarHBondContact O-N 3.02Å; G201-F249 VanDerWaalsContact O-N 3.1Å; L235-F249 HydrophobicContact CD2-CD2 3.74Å; L235-F249 HydrophobicContact CD2-CE2 4Å; S236-F249 CarbonylContact O-C 3.44Å; S236-F249 VanDerWaalsContact O-CA 3.29Å; S236-F249 WeakPolarHBondContact O-CA 3.19Å; F249-I251 HydrophobicContact CD2-CG1 4.49Å; F249-I251 HydrophobicContact CE2-CD1 4.38Å; F249-I251 HydrophobicContact CE2-CG1 4.13Å; F249-F266 HydrophobicContact CB-CE1 4.38Å; F249-F266 HydrophobicContact CB-CZ 4.24Å; F249-I295 HydrophobicContact CZ-CD1 4.28Å
250F98.8Very high94.8Very high8 Ų838.3 Ų38.34%0.03522%0.22CC..EExtended strand (participates in β ladder)trans-136.1153.2168.962.1-89.7000112M198 C199 Q200 H229 S236 M237 A238 T252 L259 H263M198-F250 HydrophobicContact CB-CB 4.16Å; M198-F250 HydrophobicContact CB-CD2 3.81Å; M198-F250 HydrophobicContact CB-CG 4.32Å; M198-F250 HydrophobicContact CG-CB 4.25Å; M198-F250 HydrophobicContact CG-CD2 4.13Å; M198-F250 HydrophobicContact CG-CG 4.34Å; M198-F250 HydrophobicContact SD-CB 3.89Å; M198-F250 HydrophobicContact SD-CG 4.45Å; C199-F250 CarbonylContact O-C 3.43Å; C199-F250 WeakPolarHBondContact O-CA 3.49Å; Q200-F250 HydrophobicContact CB-CB 4.01Å; H229-F250 AromaticContact NE2-CE2 3.98Å; H229-F250 AromaticContact NE2-CZ 3.63Å; S236-F250 PolarHBondContact N-O 2.8Å; S236-F250 WeakPolarHBondContact O-CD1 3.45Å; S236-F250 PolarHBondContact O-N 2.69Å; S236-F250 VanDerWaalsContact OG-CZ 3.31Å; S236-F250 WeakPolarHBondContact OG-CZ 3.38Å; M237-F250 WeakPolarHBondContact O-CE1 3.4Å; A238-F250 HydrophobicContact CB-CD1 4.29Å; F250-T252 HydrophobicContact CD2-CG2 4.23Å; F250-T252 HydrophobicContact CE2-CG2 3.94Å; F250-L259 HydrophobicContact CE2-CD1 3.88Å; F250-L259 HydrophobicContact CZ-CD1 3.64Å; F250-H263 HydrophobicContact CE1-CB 4.17Å; F250-H263 AromaticContact CE1-ND1 3.94Å; F250-H263 HydrophobicContact CZ-CB 4.12Å
251I98.7Very high95.2Very high0 Ų038.6 Ų38.60%022%0.215CC..EExtended strand (participates in β ladder)trans-103.8124.5170.8-54.5162000106.8L157 F159 F190 M198 C199 Q234 L235 F249 V276 M279L157-I251 HydrophobicContact CD1-CD1 3.91Å; F159-I251 HydrophobicContact CE1-CD1 4.32Å; F159-I251 HydrophobicContact CE1-CG1 4.3Å; F159-I251 HydrophobicContact CZ-CD1 3.74Å; F159-I251 HydrophobicContact CZ-CG1 4.15Å; F190-I251 HydrophobicContact CE1-CD1 3.82Å; F190-I251 HydrophobicContact CE1-CG1 4.45Å; F190-I251 HydrophobicContact CZ-CD1 3.9Å; M198-I251 CarbonylContact C-O 3.58Å; M198-I251 WeakPolarHBondContact CA-O 3.49Å; M198-I251 VanDerWaalsContact CB-O 3.32Å; M198-I251 WeakPolarHBondContact CB-O 3.32Å; C199-I251 PolarHBondContact N-O 2.81Å; C199-I251 PolarHBondContact O-N 2.81Å; Q234-I251 WeakPolarHBondContact O-CA 3.27Å; L235-I251 HydrophobicContact CD2-CG1 3.82Å; F249-I251 HydrophobicContact CD2-CG1 4.49Å; F249-I251 HydrophobicContact CE2-CD1 4.38Å; F249-I251 HydrophobicContact CE2-CG1 4.13Å; I251-V276 HydrophobicContact CG2-CG1 4.07Å; I251-V276 HydrophobicContact CG2-CG2 4.12Å; I251-M279 HydrophobicContact CD1-CE 4.37Å
252T98.5Very high95.6Very high0 Ų042.9 Ų42.90%022%0.223CC..EExtended strand (participates in β ladder)trans-69.3138.9177.656.80000111.1A231 A232 G233 Q234 F250A231-T252 PolarHBondContact O-OG1 2.81Å; A232-T252 WeakPolarHBondContact CA-OG1 3.36Å; G233-T252 PolarHBondContact N-O 3.39Å; G233-T252 PolarHBondContact N-OG1 2.89Å; Q234-T252 HydrophobicContact CB-CG2 4.35Å; Q234-T252 PolarHBondContact N-OG1 3.28Å; Q234-T252 PolarHBondContact O-N 3.41Å; F250-T252 HydrophobicContact CD2-CG2 4.23Å; F250-T252 HydrophobicContact CE2-CG2 3.94Å
253C97.3Very high96Very high18 Ų1840.6 Ų40.612%0.12220%0.198CC..SBendtrans-102.6-13.4171.9-59.60000112.4F197 C199 A232 E280F197-C253 PolarHBondContact O-N 2.85Å; C199-C253 VanDerWaalsContact SG-SG 3.7Å; A232-C253 WeakPolarHBondContact CB-O 3.36Å; C253-E280 HydrophobicContact CB-CG 4.19Å
254D96.6Very high96.4Very high84 Ų8436.7 Ų36.745%0.44918%0.177SC..SBendtrans-149.4179.6176.9-153.9-21.4000109.2T256D254-T256 PolarHBondContact O-N 3.36Å
255K96.4Very high96.7Very high99 Ų9936.4 Ų36.443%0.4318%0.175SC..  trans-64.8125.5168.4-174.1-171.4-173.6-142.40109.7H229 D257 W258H229-K255 WeakPolarHBondContact O-CG 3.32Å; K255-D257 WeakPolarHBondContact CE-OD2 3.23Å; K255-D257 IonicContact NZ-OD2 2.77Å; K255-D257 PolarHBondContact NZ-OD2 3.44Å; K255-W258 WeakPolarHBondContact O-CH2 3.36Å; K255-W258 WeakPolarHBondContact O-CZ3 3.3Å
256T94.2Very high96.9Very high0 Ų036.4 Ų36.40%018%0.175CC..  trans-12852.6-177.965.20000112F197 H229 D254 W258 L259F197-T256 HydrophobicContact CD2-CG2 3.6Å; F197-T256 HydrophobicContact CE2-CG2 3.84Å; H229-T256 VanDerWaalsContact CB-O 3.27Å; H229-T256 WeakPolarHBondContact CB-O 3.38Å; H229-T256 VanDerWaalsContact CB-OG1 3.32Å; H229-T256 WeakPolarHBondContact CB-OG1 3.5Å; H229-T256 PolarHBondContact O-N 3.04Å; D254-T256 PolarHBondContact O-N 3.36Å; T256-W258 HydrophobicContact CG2-CH2 3.91Å; T256-W258 HydrophobicContact CG2-CZ2 3.78Å; T256-W258 PolarHBondContact O-N 3.12Å; T256-L259 WeakPolarHBondContact O-CB 3.49Å; T256-L259 PolarHBondContact O-N 3.25Å
257D96.1Very high96.9Very high69 Ų6936.1 Ų36.137%0.36917%0.172SC..G310 helixtrans-62-22.5-173.554.9-1000114.5K255 L259 D260K255-D257 WeakPolarHBondContact CE-OD2 3.23Å; K255-D257 IonicContact NZ-OD2 2.77Å; K255-D257 PolarHBondContact NZ-OD2 3.44Å; D257-L259 PolarHBondContact O-N 3.35Å; D257-L259 VanDerWaalsContact O-N 3.11Å; D257-D260 VanDerWaalsContact O-CB 3.23Å; D257-D260 WeakPolarHBondContact O-CB 3.49Å; D257-D260 VanDerWaalsContact O-CG 3.28Å; D257-D260 PolarHBondContact O-N 3.12Å
258W94.9Very high96.9Very high136 Ų13639.8 Ų39.852%0.51519%0.189SC..G310 helixtrans-64.6-11.4172.561.286.6000114.5F197 K255 T256 K262F197-W258 AromaticContact CD2-CZ2 3.67Å; F197-W258 HydrophobicContact CD2-CZ2 3.67Å; F197-W258 AromaticContact CE2-CE2 3.98Å; F197-W258 AromaticContact CE2-CZ2 3.65Å; F197-W258 HydrophobicContact CE2-CZ2 3.65Å; F197-W258 AromaticContact CE2-NE1 3.73Å; K255-W258 WeakPolarHBondContact O-CH2 3.36Å; K255-W258 WeakPolarHBondContact O-CZ3 3.3Å; T256-W258 HydrophobicContact CG2-CH2 3.91Å; T256-W258 HydrophobicContact CG2-CZ2 3.78Å; T256-W258 PolarHBondContact O-N 3.12Å; W258-K262 PolarHBondContact O-NZ 2.88Å
259L95.3Very high96.8Very high19 Ų1939.9 Ų39.910%0.09919%0.19CC..G310 helixtrans-91.6-6.7173.5-59.4-174.2000113.2F197 F250 T256 D257 K262 H263F197-L259 HydrophobicContact CE2-CD1 3.86Å; F197-L259 HydrophobicContact CZ-CD1 4.11Å; F250-L259 HydrophobicContact CE2-CD1 3.88Å; F250-L259 HydrophobicContact CZ-CD1 3.64Å; T256-L259 WeakPolarHBondContact O-CB 3.49Å; T256-L259 PolarHBondContact O-N 3.25Å; D257-L259 PolarHBondContact O-N 3.35Å; D257-L259 VanDerWaalsContact O-N 3.11Å; L259-K262 PolarHBondContact O-N 3Å; L259-K262 VanDerWaalsContact O-N 3.14Å; L259-H263 PolarHBondContact O-N 3.01Å
260D93.3Very high96.7Very high35 Ų3544.6 Ų44.619%0.18721%0.213CC..THydrogen-bonded Turntrans-60.5141178.4-71.2-15.1000111.3K228 H229 D257 K262K228-D260 HydrophobicContact CD-CB 4.09Å; H229-D260 IonicContact CE1-OD1 3.86Å; H229-D260 IonicContact CG-OD1 3.68Å; H229-D260 PolarHBondContact N-OD1 2.81Å; H229-D260 IonicContact ND1-OD1 2.75Å; H229-D260 PolarHBondContact ND1-OD1 2.62Å; D257-D260 VanDerWaalsContact O-CB 3.23Å; D257-D260 WeakPolarHBondContact O-CB 3.49Å; D257-D260 VanDerWaalsContact O-CG 3.28Å; D257-D260 PolarHBondContact O-N 3.12Å; D260-K262 PolarHBondContact O-N 3.23Å
261N93.5Very high96.6Very high98 Ų9849.3 Ų49.352%0.52424%0.235SC..THydrogen-bonded Turntrans64.49.6-175.4-42.7-58.4000115.2F225 K228F225-N261 HydrophobicContact CB-CB 4.46Å; F225-N261 HydrophobicContact CD2-CB 4.38Å; F225-N261 HydrophobicContact CG-CB 4.33Å; F225-N261 WeakPolarHBondContact CZ-O 3.38Å; K228-N261 PolarHBondContact NZ-OD1 2.94Å
262K94.5Very high96.5Very high128 Ų12849.5 Ų49.556%0.55724%0.238SC*.THydrogen-bonded Turntrans-118.3-30.8173.8-61.4175.8-175164.30112.3N239 W258 L259 D260N239-K262 PolarHBondContact ND2-O 3.39Å; W258-K262 PolarHBondContact O-NZ 2.88Å; L259-K262 PolarHBondContact O-N 3Å; L259-K262 VanDerWaalsContact O-N 3.14Å; D260-K262 PolarHBondContact O-N 3.23Å
263H97.6Very high96.5Very high32 Ų3252.6 Ų52.615%0.14825%0.253CS..SBendtrans-126.5133.7180-62.8-83.9000109.8H229 S236 M237 N239 F250 L259 V265H229-H263 PolarHBondContact CE1-O 3.12Å; S236-H263 WeakPolarHBondContact OG-CB 3.18Å; M237-H263 WeakPolarHBondContact O-CB 3.43Å; M237-H263 PolarHBondContact O-ND1 2.83Å; N239-H263 PolarHBondContact OD1-CE1 2.89Å; F250-H263 HydrophobicContact CE1-CB 4.17Å; F250-H263 AromaticContact CE1-ND1 3.94Å; F250-H263 HydrophobicContact CZ-CB 4.12Å; L259-H263 PolarHBondContact O-N 3.01Å; H263-V265 PolarHBondContact O-N 2.87Å
264V98.3Very high96.5Very high0 Ų058 Ų580%028%0.276CS..  trans-77.5112.9179.1179.40000109V166 T169 D222 F225 S236 M237V166-V264 HydrophobicContact CG1-CG1 3.91Å; T169-V264 HydrophobicContact CG2-CG1 4.21Å; D222-V264 HydrophobicContact CB-CG2 3.89Å; F225-V264 HydrophobicContact CD1-CG2 4.3Å; F225-V264 HydrophobicContact CE1-CG2 3.94Å; S236-V264 VanDerWaalsContact CA-O 3.3Å; S236-V264 WeakPolarHBondContact CA-O 3.47Å; S236-V264 PolarHBondContact OG-O 2.98Å; M237-V264 HydrophobicContact CG-CB 4.35Å; M237-V264 PolarHBondContact N-O 2.83Å
265V98.7Very high96.6Very high4 Ų454 Ų542%0.02426%0.255CS..EExtended strand (participates in β ladder)trans-77.9130.5168.3179.20000108.4L227 H229 Q234 L235 H263L227-V265 HydrophobicContact CB-CB 3.65Å; L227-V265 HydrophobicContact CB-CG1 3.79Å; L227-V265 HydrophobicContact CD1-CG1 4.47Å; L227-V265 WeakPolarHBondContact CD1-O 3.44Å; H229-V265 WeakPolarHBondContact CE1-CG2 3.48Å; H229-V265 WeakPolarHBondContact NE2-CG2 3.42Å; Q234-V265 HydrophobicContact CB-CG1 4.45Å; L235-V265 WeakPolarHBondContact O-CA 3.27Å; H263-V265 PolarHBondContact O-N 2.87Å
266F98.6Very high96.7Very high0 Ų049.4 Ų49.40%024%0.235CC..EExtended strand (participates in β ladder)trans-137.61-170.668.4-92.7000115.5L161 R162 V166 T169 F173 L235 S236 M237 F249L161-F266 HydrophobicContact CD2-CD2 4.2Å; L161-F266 HydrophobicContact CD2-CE2 4.13Å; R162-F266 PolarHBondContact N-O 2.96Å; V166-F266 HydrophobicContact CG2-CB 3.52Å; T169-F266 HydrophobicContact CG2-CB 3.63Å; T169-F266 HydrophobicContact CG2-CD1 3.81Å; T169-F266 HydrophobicContact CG2-CD2 4.4Å; T169-F266 HydrophobicContact CG2-CG 3.69Å; F173-F266 HydrophobicContact CB-CD2 4.37Å; F173-F266 HydrophobicContact CB-CE2 3.7Å; F173-F266 HydrophobicContact CB-CZ 4.31Å; F173-F266 AromaticContact CD1-CE2 3.93Å; F173-F266 HydrophobicContact CD1-CE2 3.93Å; F173-F266 AromaticContact CD2-CE2 3.53Å; F173-F266 HydrophobicContact CD2-CE2 3.53Å; F173-F266 AromaticContact CD2-CZ 3.43Å; F173-F266 HydrophobicContact CD2-CZ 3.43Å; F173-F266 VanDerWaalsContact CD2-CZ 3.43Å; F173-F266 HydrophobicContact CE1-CE2 4.39Å; F173-F266 HydrophobicContact CE2-CE2 4.03Å; F173-F266 AromaticContact CE2-CZ 3.74Å; F173-F266 HydrophobicContact CE2-CZ 3.74Å; F173-F266 HydrophobicContact CG-CD2 4.49Å; F173-F266 AromaticContact CG-CE2 3.44Å; F173-F266 HydrophobicContact CG-CE2 3.44Å; F173-F266 VanDerWaalsContact CG-CE2 3.44Å; F173-F266 AromaticContact CG-CZ 3.89Å; F173-F266 HydrophobicContact CG-CZ 3.89Å; F173-F266 HydrophobicContact CZ-CE2 4.42Å; F173-F266 HydrophobicContact CZ-CZ 4.42Å; L235-F266 HydrophobicContact CB-CD1 4.45Å; L235-F266 HydrophobicContact CB-CD2 4.27Å; L235-F266 HydrophobicContact CB-CE1 4.06Å; L235-F266 HydrophobicContact CB-CE2 3.85Å; L235-F266 HydrophobicContact CB-CZ 3.74Å; L235-F266 HydrophobicContact CD1-CE2 3.86Å; L235-F266 HydrophobicContact CD1-CZ 4.28Å; L235-F266 HydrophobicContact CD2-CZ 4.45Å; L235-F266 HydrophobicContact CG-CE2 4.4Å; L235-F266 HydrophobicContact CG-CZ 4.4Å; L235-F266 PolarHBondContact O-N 3.32Å; S236-F266 VanDerWaalsContact C-CE1 3.5Å; M237-F266 HydrophobicContact CG-CD1 3.81Å; M237-F266 HydrophobicContact CG-CE1 3.85Å; M237-F266 HydrophobicContact SD-CD1 3.92Å; M237-F266 HydrophobicContact SD-CE1 3.45Å; M237-F266 WeakPolarHBondContact SD-CE1 3.01Å; M237-F266 HydrophobicContact SD-CZ 4.07Å; F249-F266 HydrophobicContact CB-CE1 4.38Å; F249-F266 HydrophobicContact CB-CZ 4.24Å
267G98.1Very high96.9Very high3 Ų355.8 Ų55.83%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-173.2176.6178.600000113L160 L235L160-G267 CarbonylContact O-C 3.56Å; L160-G267 WeakPolarHBondContact O-CA 3.27Å; L235-G267 PolarHBondContact N-O 3.48Å
268E97.5Very high97Very high80 Ų8054.4 Ų54.437%0.37426%0.261SS..EExtended strand (participates in β ladder)trans-143.2150.4178.766.5-165.6142.100111.4F159 L160 G233F159-E268 CarbonylContact C-O 3.53Å; F159-E268 VanDerWaalsContact CA-O 3.28Å; F159-E268 WeakPolarHBondContact CA-O 3.24Å; L160-E268 HydrophobicContact CB-CG 4.4Å; L160-E268 PolarHBondContact N-O 2.77Å; L160-E268 PolarHBondContact O-N 3.06Å; G233-E268 CarbonylContact O-C 3.53Å
269L97.8Very high97.2Very high25 Ų2547.9 Ų47.913%0.13124%0.236CC..EExtended strand (participates in β ladder)trans-74.4123.4176.1-169.577.8000109.3L157 R158 F159 G233 E271 M273 V276L157-L269 HydrophobicContact CB-CD1 3.94Å; L157-L269 HydrophobicContact CD2-CD1 3.89Å; L157-L269 HydrophobicContact CG-CD1 4.47Å; R158-L269 WeakPolarHBondContact O-CD1 3.46Å; F159-L269 HydrophobicContact CD1-CB 4.08Å; F159-L269 HydrophobicContact CD1-CD1 3.66Å; F159-L269 HydrophobicContact CD1-CG 4.49Å; F159-L269 HydrophobicContact CE1-CB 4.03Å; F159-L269 HydrophobicContact CE1-CD1 3.26Å; F159-L269 HydrophobicContact CE1-CG 4.26Å; F159-L269 HydrophobicContact CE2-CD1 4.24Å; F159-L269 HydrophobicContact CG-CD1 4.31Å; F159-L269 HydrophobicContact CZ-CD1 3.6Å; G233-L269 VanDerWaalsContact O-CB 3.27Å; G233-L269 WeakPolarHBondContact O-CB 3.5Å; G233-L269 PolarHBondContact O-N 3.16Å; L269-E271 VanDerWaalsContact CD1-O 3.25Å; L269-E271 WeakPolarHBondContact CD1-O 3.44Å; L269-E271 WeakPolarHBondContact CG-O 3.42Å; L269-M273 HydrophobicContact CD2-CB 4.02Å; L269-M273 HydrophobicContact CD2-CE 4.07Å; L269-M273 HydrophobicContact CD2-SD 4.15Å; L269-V276 HydrophobicContact CD2-CG2 3.73Å
270M96.6Very high97.3Very high98 Ų9848.4 Ų48.448%0.48324%0.238SC..EExtended strand (participates in β ladder)trans-88.8-42.6174-64.6-66.3-64.900111.1R158 L160R158-M270 HydrophobicContact CG-CB 4.26Å; R158-M270 PolarHBondContact O-N 2.86Å; L160-M270 HydrophobicContact CB-CG 3.79Å; L160-M270 HydrophobicContact CB-SD 3.89Å; L160-M270 HydrophobicContact CD2-SD 4.33Å
271E96Very high97.5Very high107 Ų10749.5 Ų49.550%0.525%0.252SS..EExtended strand (participates in β ladder)trans-144.4149.9-176.5-60.4168.8172.800110R158 L269R158-E271 HydrophobicContact CB-CB 4.08Å; R158-E271 VanDerWaalsContact CD-OE2 3.28Å; R158-E271 WeakPolarHBondContact CD-OE2 3.27Å; R158-E271 PolarHBondContact N-O 2.91Å; R158-E271 VanDerWaalsContact NH1-CD 3.3Å; R158-E271 IonicContact NH1-OE1 3.99Å; R158-E271 PolarHBondContact NH1-OE1 2.79Å; R158-E271 IonicContact NH1-OE2 3.62Å; R158-E271 PolarHBondContact NH1-OE2 2.9Å; R158-E271 PolarHBondContact O-N 2.89Å; L269-E271 VanDerWaalsContact CD1-O 3.25Å; L269-E271 WeakPolarHBondContact CD1-O 3.44Å; L269-E271 WeakPolarHBondContact CG-O 3.42Å
272G97.1Very high97.7Very high5 Ų546.3 Ų46.35%0.05223%0.234CC..  trans10122.6176.900000115.4L157 E274 V275 V276L157-G272 WeakPolarHBondContact CD2-O 3.5Å; G272-E274 WeakPolarHBondContact CA-OE1 3.35Å; G272-E274 PolarHBondContact O-N 2.88Å; G272-V275 WeakPolarHBondContact O-CA 3.47Å; G272-V275 WeakPolarHBondContact O-CB 3.12Å; G272-V275 PolarHBondContact O-N 3.35Å; G272-V276 PolarHBondContact O-N 3.12Å; G272-V276 VanDerWaalsContact O-N 3.16Å
273M97.9Very high97.9Very high65 Ų6540.4 Ų40.432%0.3221%0.209SC..Hα-helixtrans-61.9-31.5-179.7-174.861.979.500112.1A232 L269 V275 V276 K277A232-M273 HydrophobicContact CB-CE 4.37Å; L269-M273 HydrophobicContact CD2-CB 4.02Å; L269-M273 HydrophobicContact CD2-CE 4.07Å; L269-M273 HydrophobicContact CD2-SD 4.15Å; M273-V275 VanDerWaalsContact C-N 3.27Å; M273-V275 PolarHBondContact O-N 3.3Å; M273-V276 PolarHBondContact O-N 3.03Å; M273-V276 HydrophobicContact SD-CB 4.28Å; M273-K277 WeakPolarHBondContact O-CG 3.26Å; M273-K277 PolarHBondContact O-N 2.98Å
274E98Very high97.8Very high130 Ų13040.8 Ų40.861%0.60721%0.214SC*.Hα-helixtrans-61.4-34.5171.369.9-70.2168.200112.7G272 K277 A278G272-E274 WeakPolarHBondContact CA-OE1 3.35Å; G272-E274 PolarHBondContact O-N 2.88Å; E274-K277 PolarHBondContact O-N 3.11Å; E274-A278 WeakPolarHBondContact O-CB 3.41Å; E274-A278 PolarHBondContact O-N 3.33Å
275V98.4Very high97.6Very high2 Ų250.6 Ų50.61%0.01226%0.257CS..Hα-helixtrans-71.4-40.9175.3-175.80000109.9I147 A154 L157 G272 M273 K277 A278 M279I147-V275 HydrophobicContact CB-CG1 3.86Å; I147-V275 HydrophobicContact CG1-CG1 3.91Å; I147-V275 HydrophobicContact CG2-CG1 4.32Å; A154-V275 HydrophobicContact CB-CG1 4.21Å; L157-V275 HydrophobicContact CD2-CB 3.69Å; L157-V275 HydrophobicContact CD2-CG1 3.97Å; L157-V275 HydrophobicContact CG-CB 4.44Å; L157-V275 HydrophobicContact CG-CG1 4.24Å; G272-V275 WeakPolarHBondContact O-CA 3.47Å; G272-V275 WeakPolarHBondContact O-CB 3.12Å; G272-V275 PolarHBondContact O-N 3.35Å; M273-V275 VanDerWaalsContact C-N 3.27Å; M273-V275 PolarHBondContact O-N 3.3Å; V275-K277 VanDerWaalsContact C-N 3.34Å; V275-K277 PolarHBondContact O-N 3.33Å; V275-A278 WeakPolarHBondContact O-CB 3.28Å; V275-A278 PolarHBondContact O-N 3.29Å; V275-M279 HydrophobicContact CG1-SD 4.3Å; V275-M279 VanDerWaalsContact O-CG 3.24Å; V275-M279 WeakPolarHBondContact O-CG 3.35Å; V275-M279 PolarHBondContact O-N 3Å
276V98.2Very high97.4Very high1 Ų158.9 Ų58.91%0.00630%0.295CS..Hα-helixtrans-59.6-44.8173.1179.20000110.9L157 I251 L269 G272 M273 A278 M279 E280L157-V276 HydrophobicContact CD2-CG2 3.58Å; I251-V276 HydrophobicContact CG2-CG1 4.07Å; I251-V276 HydrophobicContact CG2-CG2 4.12Å; L269-V276 HydrophobicContact CD2-CG2 3.73Å; G272-V276 PolarHBondContact O-N 3.12Å; G272-V276 VanDerWaalsContact O-N 3.16Å; M273-V276 PolarHBondContact O-N 3.03Å; M273-V276 HydrophobicContact SD-CB 4.28Å; V276-A278 VanDerWaalsContact C-N 3.32Å; V276-A278 PolarHBondContact O-N 2.96Å; V276-M279 WeakPolarHBondContact O-CB 3.46Å; V276-M279 PolarHBondContact O-N 3.46Å; V276-E280 WeakPolarHBondContact O-CB 3.46Å; V276-E280 PolarHBondContact O-N 2.81Å
277K98.2Very high97.1Very high135 Ų13559 Ų5959%0.58730%0.296SS*.Hα-helixtrans-62.3-38.7175.5-71.8178.5-179.7-179.90112.4M273 E274 V275 E280 A281M273-K277 WeakPolarHBondContact O-CG 3.26Å; M273-K277 PolarHBondContact O-N 2.98Å; E274-K277 PolarHBondContact O-N 3.11Å; V275-K277 VanDerWaalsContact C-N 3.34Å; V275-K277 PolarHBondContact O-N 3.33Å; K277-E280 PolarHBondContact O-N 3.18Å; K277-A281 PolarHBondContact O-N 3.41Å
278A98.4Very high97Very high39 Ų3966.3 Ų66.332%0.32233%0.327SS..Hα-helixtrans-64.8-40.8174.600000111.7I149 E274 V275 V276 A281I149-A278 HydrophobicContact CD1-CB 3.91Å; E274-A278 WeakPolarHBondContact O-CB 3.41Å; E274-A278 PolarHBondContact O-N 3.33Å; V275-A278 WeakPolarHBondContact O-CB 3.28Å; V275-A278 PolarHBondContact O-N 3.29Å; V276-A278 VanDerWaalsContact C-N 3.32Å; V276-A278 PolarHBondContact O-N 2.96Å; A278-A281 PolarHBondContact O-N 3.41Å
279M98.4Very high97Very high0 Ų063.7 Ų63.70%032%0.317CS..Hα-helixtrans-63.5-44.8173.4-65.8166.552.200111.5I147 I149 L157 F190 C199 I251 V275 V276 A281 E282 V293I147-M279 HydrophobicContact CD1-SD 4.34Å; I147-M279 HydrophobicContact CG1-SD 3.96Å; I147-M279 HydrophobicContact CG2-CG 3.98Å; I147-M279 HydrophobicContact CG2-SD 3.94Å; I149-M279 HydrophobicContact CD1-CG 4.32Å; L157-M279 HydrophobicContact CD1-SD 3.98Å; F190-M279 HydrophobicContact CD1-CE 3.63Å; F190-M279 HydrophobicContact CD2-CE 3.54Å; F190-M279 HydrophobicContact CE1-CE 3.58Å; F190-M279 HydrophobicContact CE2-CE 3.47Å; F190-M279 VanDerWaalsContact CE2-CE 3.47Å; F190-M279 HydrophobicContact CG-CE 3.61Å; F190-M279 HydrophobicContact CZ-CE 3.5Å; F190-M279 VanDerWaalsContact CZ-CE 3.5Å; C199-M279 HydrophobicContact CB-CE 4.01Å; I251-M279 HydrophobicContact CD1-CE 4.37Å; V275-M279 HydrophobicContact CG1-SD 4.3Å; V275-M279 VanDerWaalsContact O-CG 3.24Å; V275-M279 WeakPolarHBondContact O-CG 3.35Å; V275-M279 PolarHBondContact O-N 3Å; V276-M279 WeakPolarHBondContact O-CB 3.46Å; V276-M279 PolarHBondContact O-N 3.46Å; M279-A281 VanDerWaalsContact C-N 3.29Å; M279-A281 PolarHBondContact O-N 3.11Å; M279-E282 WeakPolarHBondContact O-CB 3.41Å; M279-E282 PolarHBondContact O-N 3.31Å; M279-E282 VanDerWaalsContact O-N 3.11Å; M279-V293 HydrophobicContact CB-CG1 4.35Å; M279-V293 HydrophobicContact CE-CG1 4.04Å; M279-V293 HydrophobicContact CG-CG1 3.72Å; M279-V293 HydrophobicContact SD-CG1 4.32Å
280E98.3Very high97Very high29 Ų2969.3 Ų69.314%0.13634%0.341CS..Hα-helixtrans-59.2-39178.3-171.9-166.2173.200112P195 Q196 C253 V276 K277 E282 G283P195-E280 HydrophobicContact CB-CG 4.23Å; Q196-E280 PolarHBondContact N-OE1 2.94Å; Q196-E280 PolarHBondContact NE2-OE1 2.91Å; C253-E280 HydrophobicContact CB-CG 4.19Å; V276-E280 WeakPolarHBondContact O-CB 3.46Å; V276-E280 PolarHBondContact O-N 2.81Å; K277-E280 PolarHBondContact O-N 3.18Å; E280-E282 PolarHBondContact O-N 3.18Å; E280-G283 WeakPolarHBondContact O-CA 3.38Å; E280-G283 PolarHBondContact O-N 3.29Å
281A98.1Very high97Very high59 Ų5969.5 Ų69.549%0.48834%0.34SS..Hα-helixtrans-61.9-24.8177.900000113.3K277 A278 M279 G283 K290K277-A281 PolarHBondContact O-N 3.41Å; A278-A281 PolarHBondContact O-N 3.41Å; M279-A281 VanDerWaalsContact C-N 3.29Å; M279-A281 PolarHBondContact O-N 3.11Å; A281-G283 VanDerWaalsContact C-N 3.25Å; A281-K290 PolarHBondContact O-NZ 3.4Å
282E98.1Very high97.1Very high31 Ų3172 Ų7215%0.14535%0.349CS..THydrogen-bonded Turntrans-77.5-11172.4-60.3-55.113400113.1I149 M279 E280 P289 K290 Q291 V293I149-E282 HydrophobicContact CD1-CG 4.46Å; I149-E282 HydrophobicContact CG2-CG 3.64Å; M279-E282 WeakPolarHBondContact O-CB 3.41Å; M279-E282 PolarHBondContact O-N 3.31Å; M279-E282 VanDerWaalsContact O-N 3.11Å; E280-E282 PolarHBondContact O-N 3.18Å; E282-P289 CarbonylContact O-C 3.34Å; E282-P289 VanDerWaalsContact O-CA 3.3Å; E282-P289 WeakPolarHBondContact O-CA 3.28Å; E282-K290 WeakPolarHBondContact O-CG 3.38Å; E282-K290 PolarHBondContact O-N 3.31Å; E282-Q291 WeakPolarHBondContact OE2-CB 3.36Å; E282-Q291 WeakPolarHBondContact OE2-CG 3.36Å; E282-Q291 PolarHBondContact OE2-N 2.98Å; E282-V293 HydrophobicContact CB-CG2 4.17Å; E282-V293 HydrophobicContact CG-CG2 4.29Å
283G97.3Very high97.1Very high3 Ų371.8 Ų71.83%0.03135%0.347CS..  trans-67.4160.3-179.700000114.5V193 E280 A281 K290V193-G283 WeakPolarHBondContact O-CA 3.34Å; E280-G283 WeakPolarHBondContact O-CA 3.38Å; E280-G283 PolarHBondContact O-N 3.29Å; A281-G283 VanDerWaalsContact C-N 3.25Å; G283-K290 WeakPolarHBondContact O-CE 3.4Å
284T96.3Very high97.2Very high40 Ų4071 Ų7125%0.24534%0.344CS..  trans-131.7165.3171.764.40000109.8V193 E286 G287 K288 K290V193-T284 PolarHBondContact O-N 2.79Å; T284-E286 PolarHBondContact O-N 3.15Å; T284-G287 PolarHBondContact O-N 3.04Å; T284-G287 PolarHBondContact OG1-N 3.32Å; T284-K288 WeakPolarHBondContact CB-O 3.37Å; T284-K288 WeakPolarHBondContact CG2-O 3.4Å; T284-K288 PolarHBondContact OG1-N 3.1Å; T284-K288 PolarHBondContact OG1-O 2.84Å; T284-K290 HydrophobicContact CG2-CG 4.03Å
285K93.9Very high97.2Very high207 Ų20764.9 Ų64.990%0.932%0.315SS*.THydrogen-bonded Turntrans-61.1-31.3176.8-68.7-172.1177-176.10112.8G287K285-G287 PolarHBondContact O-N 3.01Å
286E93.7Very high97.2Very high177 Ų17766.3 Ų66.383%0.82733%0.325SS*.THydrogen-bonded Turntrans-79.6-10176.8-64.7172-172.400112.4T284 K288T284-E286 PolarHBondContact O-N 3.15Å; E286-K288 VanDerWaalsContact C-N 3.33Å; E286-K288 PolarHBondContact O-N 3.31Å
287G94Very high97.2Very high2 Ų268.4 Ų68.42%0.02134%0.336CS..SBendtrans88.1-14.5-178.900000114.5R192 V193 T284 K285 P289R192-G287 CarbonylContact C-O 3.5Å; R192-G287 WeakPolarHBondContact CA-O 3.24Å; V193-G287 PolarHBondContact N-O 2.77Å; V193-G287 CarbonylContact O-C 3.45Å; V193-G287 WeakPolarHBondContact O-CA 3.27Å; T284-G287 PolarHBondContact O-N 3.04Å; T284-G287 PolarHBondContact OG1-N 3.32Å; K285-G287 PolarHBondContact O-N 3.01Å; G287-P289 VanDerWaalsContact O-CD 3.27Å; G287-P289 WeakPolarHBondContact O-CD 3.4Å
288K95.1Very high97.2Very high158 Ų15862.4 Ų62.469%0.68731%0.312SS*.  trans-70.2122.3177.3-174.8175.5178.9179.60110.5T284 E286T284-K288 WeakPolarHBondContact CB-O 3.37Å; T284-K288 WeakPolarHBondContact CG2-O 3.4Å; T284-K288 PolarHBondContact OG1-N 3.1Å; T284-K288 PolarHBondContact OG1-O 2.84Å; E286-K288 VanDerWaalsContact C-N 3.33Å; E286-K288 PolarHBondContact O-N 3.31Å
289P96.9Very high97.2Very high25 Ų2560.9 Ų60.916%0.16230%0.299CS..  trans-66.1145.2178.5-22.634.7000113F190 H191 V193 E282 G287 Q291F190-P289 WeakPolarHBondContact O-CG 3.49Å; H191-P289 WeakPolarHBondContact O-CD 3.34Å; V193-P289 HydrophobicContact CB-CG 4.29Å; V193-P289 HydrophobicContact CG2-CG 3.98Å; E282-P289 CarbonylContact O-C 3.34Å; E282-P289 VanDerWaalsContact O-CA 3.3Å; E282-P289 WeakPolarHBondContact O-CA 3.28Å; G287-P289 VanDerWaalsContact O-CD 3.27Å; G287-P289 WeakPolarHBondContact O-CD 3.4Å; P289-Q291 VanDerWaalsContact CB-O 3.23Å; P289-Q291 WeakPolarHBondContact CB-O 3.24Å
290K97.7Very high97.1Very high143 Ų14363.6 Ų63.662%0.62231%0.312SS*.SBendtrans-66.5-45.1175.4-63.6168-166.5157.60111.2A281 E282 G283 T284A281-K290 PolarHBondContact O-NZ 3.4Å; E282-K290 WeakPolarHBondContact O-CG 3.38Å; E282-K290 PolarHBondContact O-N 3.31Å; G283-K290 WeakPolarHBondContact O-CE 3.4Å; T284-K290 HydrophobicContact CG2-CG 4.03Å
291Q97.8Very high96.6Very high101 Ų10166.3 Ų66.347%0.47232%0.322SS..SBendtrans-116.4155.2171.3-59.3-167.7-97.800110.8I149 E282 P289 V293I149-Q291 HydrophobicContact CG2-CB 4.12Å; E282-Q291 WeakPolarHBondContact OE2-CB 3.36Å; E282-Q291 WeakPolarHBondContact OE2-CG 3.36Å; E282-Q291 PolarHBondContact OE2-N 2.98Å; P289-Q291 VanDerWaalsContact CB-O 3.23Å; P289-Q291 WeakPolarHBondContact CB-O 3.24Å; Q291-V293 PolarHBondContact O-N 3.11Å
292K97.3Very high95.4Very high160 Ų16073 Ų7370%0.69636%0.356SS*.  trans-63.8126.6174.3-71.6-171.8177.8-176.10109.8I149 G150 I294I149-K292 WeakPolarHBondContact CA-O 3.35Å; G150-K292 PolarHBondContact N-O 3.08Å; K292-I294 HydrophobicContact CB-CD1 4.24Å; K292-I294 HydrophobicContact CB-CG1 4.24Å; K292-I294 HydrophobicContact CD-CD1 4.48Å
293V98.3Very high95.3Very high1 Ų175.1 Ų75.11%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-108.5113.9173.2-1770000107.6I147 K148 I149 S189 F190 M279 E282 Q291I147-V293 HydrophobicContact CG2-CG1 3.83Å; K148-V293 CarbonylContact O-C 3.58Å; K148-V293 WeakPolarHBondContact O-CA 3.43Å; I149-V293 HydrophobicContact CG1-CG1 4.4Å; I149-V293 HydrophobicContact CG1-CG2 4.29Å; S189-V293 CarbonylContact C-O 3.25Å; S189-V293 WeakPolarHBondContact CA-O 3.15Å; S189-V293 VanDerWaalsContact CB-O 3.27Å; S189-V293 WeakPolarHBondContact CB-O 3.03Å; F190-V293 HydrophobicContact CB-CB 4.09Å; F190-V293 HydrophobicContact CB-CG1 4.1Å; F190-V293 HydrophobicContact CD2-CG1 3.8Å; F190-V293 HydrophobicContact CG-CG1 4.24Å; F190-V293 PolarHBondContact N-O 3.1Å; M279-V293 HydrophobicContact CB-CG1 4.35Å; M279-V293 HydrophobicContact CE-CG1 4.04Å; M279-V293 HydrophobicContact CG-CG1 3.72Å; M279-V293 HydrophobicContact SD-CG1 4.32Å; E282-V293 HydrophobicContact CB-CG2 4.17Å; E282-V293 HydrophobicContact CG-CG2 4.29Å; Q291-V293 PolarHBondContact O-N 3.11Å
294I98.4Very high95.2Very high49 Ų4978.8 Ų78.825%0.25138%0.384SS..EExtended strand (participates in β ladder)trans-122137.5-168.3-60.4175.8000110.1I147 K148 K292 S296I147-I294 WeakPolarHBondContact CA-O 3.32Å; K148-I294 PolarHBondContact N-O 2.79Å; K148-I294 PolarHBondContact O-N 2.7Å; K292-I294 HydrophobicContact CB-CD1 4.24Å; K292-I294 HydrophobicContact CB-CG1 4.24Å; K292-I294 HydrophobicContact CD-CD1 4.48Å; I294-S296 PolarHBondContact O-N 3.21Å
295I98.7Very high95.1Very high0 Ų081 Ų810%039%0.392CS..EExtended strand (participates in β ladder)trans-79.498.4166.5-58.7168.7000106.8M145 I147 F185 G187 S188 F190 F249 C298M145-I295 HydrophobicContact CB-CG2 4.22Å; M145-I295 HydrophobicContact CE-CD1 4.3Å; M145-I295 HydrophobicContact CG-CG2 4.27Å; M145-I295 HydrophobicContact SD-CD1 3.8Å; M145-I295 HydrophobicContact SD-CG1 4.28Å; I147-I295 HydrophobicContact CD1-CG1 4.11Å; F185-I295 HydrophobicContact CB-CD1 3.98Å; F185-I295 HydrophobicContact CB-CG2 4.46Å; G187-I295 WeakPolarHBondContact CA-O 3.37Å; G187-I295 PolarHBondContact N-O 3.41Å; S188-I295 PolarHBondContact O-N 3.49Å; F190-I295 HydrophobicContact CD2-CG1 4.27Å; F190-I295 HydrophobicContact CE2-CD1 3.92Å; F190-I295 HydrophobicContact CE2-CG1 3.62Å; F190-I295 HydrophobicContact CZ-CD1 4.31Å; F190-I295 HydrophobicContact CZ-CG1 4.42Å; F249-I295 HydrophobicContact CZ-CD1 4.28Å; I295-C298 HydrophobicContact CG2-CB 3.97Å
296S98.2Very high95.2Very high33 Ų3373.6 Ų73.623%0.23136%0.362CS..EExtended strand (participates in β ladder)trans-79.5-31.3-174.2660000113.5D146 I294D146-S296 PolarHBondContact O-N 2.8Å; D146-S296 PolarHBondContact O-OG 3.4Å; I294-S296 PolarHBondContact O-N 3.21Å
297D98.4Very high95.3Very high44 Ų4467.1 Ų67.124%0.23533%0.333CS..EExtended strand (participates in β ladder)trans-150.8156.5170.2-159.243000109.4Y144 M145 D146 K186Y144-D297 PolarHBondContact OH-OD2 3.36Å; M145-D297 CarbonylContact C-O 3.6Å; D146-D297 HydrophobicContact CB-CB 4.09Å; D146-D297 PolarHBondContact N-O 2.87Å; K186-D297 WeakPolarHBondContact CD-OD1 3.48Å; K186-D297 WeakPolarHBondContact CE-OD1 3.43Å; K186-D297 IonicContact NZ-OD1 3.74Å; K186-D297 PolarHBondContact NZ-OD1 3.3Å
298C98.4Very high95.4Very high10 Ų1071.5 Ų71.57%0.06835%0.353CS..EExtended strand (participates in β ladder)trans-157.4160.2175.655.20000110.1Y144 M145 C177 K186 I295Y144-C298 WeakPolarHBondContact O-CA 3.36Å; Y144-C298 WeakPolarHBondContact O-CB 3.43Å; M145-C298 HydrophobicContact CG-CB 4.09Å; C177-C298 HydrophobicContact CB-CB 4.44Å; C177-C298 CarbonylContact O-C 3.54Å; C177-C298 VanDerWaalsContact O-C 3.25Å; C177-C298 VanDerWaalsContact O-O 3.12Å; C177-C298 PolarHBondContact O-SG 2.68Å; K186-C298 PolarHBondContact N-SG 3.34Å; K186-C298 VanDerWaalsContact N-SG 3.37Å; I295-C298 HydrophobicContact CG2-CB 3.97Å
299G98.1Very high95.4Very high6 Ų665.3 Ų65.36%0.06233%0.33CS..EExtended strand (participates in β ladder)trans178.8-167.9-178.800000112.7V143 Y144 C177V143-G299 CarbonylContact C-O 3.55Å; V143-G299 VanDerWaalsContact CA-O 3.24Å; V143-G299 WeakPolarHBondContact CA-O 3.4Å; V143-G299 VanDerWaalsContact CB-O 3.3Å; V143-G299 WeakPolarHBondContact CB-O 3.38Å; Y144-G299 VanDerWaalsContact CE1-CA 3.48Å; Y144-G299 PolarHBondContact N-O 3.42Å; Y144-G299 PolarHBondContact O-N 2.99Å; C177-G299 PolarHBondContact O-N 2.94Å
300E97.1Very high95.3Very high57 Ų5768.4 Ų68.427%0.26634%0.342SS..EExtended strand (participates in β ladder)trans-113.8146.4178-180171.4-162.500110.2Q142 V143 R174 T178Q142-E300 WeakPolarHBondContact O-CA 3.17Å; Q142-E300 WeakPolarHBondContact O-CG 3.35Å; V143-E300 HydrophobicContact CG1-CB 4.37Å; R174-E300 WeakPolarHBondContact CD-OE1 3.16Å; R174-E300 VanDerWaalsContact CD-OE2 3.29Å; R174-E300 WeakPolarHBondContact CD-OE2 3.38Å; R174-E300 WeakPolarHBondContact CG-OE2 3.3Å; R174-E300 IonicContact CZ-OE2 3.46Å; R174-E300 IonicContact NE-OE2 3.33Å; R174-E300 IonicContact NH1-OE2 2.74Å; R174-E300 PolarHBondContact NH1-OE2 3.41Å; T178-E300 HydrophobicContact CG2-CB 3.6Å
301Y86.6Confident95.1Very high86 Ų8662.2 Ų62.234%0.33732%0.319SS..EExtended strand (participates in β ladder)trans-87.8116.4167.1-71.7-76.8000108.8Q142 Y144 R156 R158Q142-Y301 HydrophobicContact CB-CD2 4.24Å; Q142-Y301 PolarHBondContact O-N 3.34Å; Y144-Y301 HydrophobicContact CD1-CD2 4.34Å; Y144-Y301 HydrophobicContact CD1-CE2 4.03Å; Y144-Y301 HydrophobicContact CG-CE2 4.24Å; R156-Y301 WeakPolarHBondContact CD-OH 3.46Å; R156-Y301 PolarHBondContact NH1-OH 3.34Å; R158-Y301 HydrophobicContact CB-CE2 4.36Å; R158-Y301 HydrophobicContact CG-CD2 4.27Å; R158-Y301 HydrophobicContact CG-CE2 3.74Å
302V73.5Confident94.8Very high199 Ų19958.6 Ų58.6100%1.20631%0.305SS*.  trans-106.50179.8-157.70000110.2

Retrieved 302 of 302 residues in 55.3 ms (Link to these results)

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