A0A093HN22_STRCA Loading...

Fructose-1,6-bisphosphatase isozyme 2

Catalyzes the hydrolysis of fructose 1,6-bisphosphate to fructose 6-phosphate in the presence of divalent cations and probably participates in glycogen synthesis from carbohydrate precursors, such as lactate.

AlphaFold DB , UniProt , Accession A0A093HN22, Species STRCA (Struthio camelus australis), Gene n/a, Length 340 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.6Very low63Low248 Ų248148.6 Ų148.6100%1.22276%0.763SS**  0115.90-73.6171.9176.100106.3D3M1-D3 PolarHBondContact O-N 2.6Å
2S44.5Very low65.5Low92 Ų92139.7 Ų139.764%0.64372%0.718SS**  trans-69.9113.6-179.454.50000108.8R4S2-R4 PolarHBondContact O-N 2.97Å; S2-R4 VanDerWaalsContact O-N 3.12Å
3D52Low67.8Low148 Ų148131.4 Ų131.479%0.79168%0.678SS**  trans-62.9112.1172.1-141.7-9.5000107.5M1 T5M1-D3 PolarHBondContact O-N 2.6Å; D3-T5 VanDerWaalsContact C-N 3.35Å
4R54.4Low69.6Low222 Ų222122.1 Ų122.184%0.83863%0.63SS**  trans-102.138.7-176.9-73.5-174179.6-177.7-0.7110.3S2S2-R4 PolarHBondContact O-N 2.97Å; S2-R4 VanDerWaalsContact O-N 3.12Å
5T59.4Low71.1Confident104 Ų104116.9 Ų116.964%0.63861%0.606SS**  trans-69.8126.2166.9110000108.1D3D3-T5 VanDerWaalsContact C-N 3.35Å
6P59.1Low72.4Confident113 Ų113115 Ų11573%0.73459%0.588SS**  trans-57.5150.9174.8-15.125.8000110.4E8P6-E8 PolarHBondContact O-N 3.43Å
7F65.1Low73.6Confident210 Ų210109.2 Ų109.292%0.92156%0.558SS**  trans-60.5106.7168.2-88.4-86.3000109.3
8E65Low74.4Confident170 Ų170103.6 Ų103.679%0.79453%0.529SS*.  trans-92.6103.6-179.6-166.7167.8-149.800109.4P6P6-E8 PolarHBondContact O-N 3.43Å
9T80.8Confident75.2Confident130 Ų130103.4 Ų103.480%0.79853%0.528SS*.  trans-92.6-12.5177.956.70000113M11T9-M11 PolarHBondContact O-N 3.42Å; T9-M11 VanDerWaalsContact O-N 3.16Å
10D84.9Confident76Confident103 Ų103101.6 Ų101.655%0.55152%0.517SS*.  trans-87.870.6-179.5-168.127.2000111.3R16D10-R16 IonicContact OD1-CZ 3.7Å; D10-R16 IonicContact OD1-NH1 3.52Å; D10-R16 PolarHBondContact OD1-NH1 3.11Å; D10-R16 IonicContact OD1-NH2 3.67Å; D10-R16 IonicContact OD2-NH1 3.18Å; D10-R16 IonicContact OD2-NH2 2.83Å
11M87.6Confident76.5Confident95 Ų9598.8 Ų98.847%0.46850%0.501SS..  trans-74.2130.3179.8-65.5-178.5-72.900111.5T9 T13 L192 I196T9-M11 PolarHBondContact O-N 3.42Å; T9-M11 VanDerWaalsContact O-N 3.16Å; M11-T13 PolarHBondContact O-N 3.44Å; M11-L192 HydrophobicContact CE-CD1 4.34Å; M11-I196 HydrophobicContact CB-CD1 4.44Å; M11-I196 HydrophobicContact CB-CG2 4.3Å; M11-I196 HydrophobicContact SD-CD1 4.5Å
12L93.2Very high78.6Confident41 Ų4188 Ų8822%0.21545%0.453CS..  trans-89.294.9176.4-172.152.3000110.3R16 F17 L197L12-R16 HydrophobicContact CD1-CB 4.12Å; L12-R16 HydrophobicContact CD1-CG 3.67Å; L12-F17 HydrophobicContact CD1-CB 4.41Å; L12-F17 HydrophobicContact CD2-CD2 4.03Å; L12-F17 HydrophobicContact CG-CB 4.43Å; L12-F17 HydrophobicContact CG-CD2 4.36Å; L12-L197 HydrophobicContact CB-CB 4.31Å; L12-L197 HydrophobicContact CD2-CD2 3.75Å; L12-L197 HydrophobicContact CG-CD2 4.35Å; L12-L197 WeakPolarHBondContact O-CB 3.38Å; L12-L197 PolarHBondContact O-N 2.88Å
13T94.9Very high80.6Confident32 Ų3294.2 Ų94.220%0.19646%0.463CS..BIsolated β-bridgetrans-71.1154.6174.972.90000111.4M11 T15 R16 F17 F195 I196M11-T13 PolarHBondContact O-N 3.44Å; T13-T15 VanDerWaalsContact C-N 3.28Å; T13-T15 PolarHBondContact O-N 3.41Å; T13-R16 PolarHBondContact O-N 3.28Å; T13-R16 WeakPolarHBondContact OG1-CB 3.37Å; T13-R16 PolarHBondContact OG1-N 2.87Å; T13-F17 WeakPolarHBondContact O-CB 3.17Å; T13-F17 PolarHBondContact O-N 3.37Å; T13-F195 CarbonylContact C-O 3.59Å; T13-F195 VanDerWaalsContact CA-O 3.25Å; T13-F195 WeakPolarHBondContact CA-O 3.38Å; T13-I196 HydrophobicContact CG2-CD1 3.88Å
14L92.8Very high82.2Confident1 Ų196.5 Ų96.51%0.00546%0.46CS..Hα-helixtrans-60.6-38.8177.7-160.4167.2000111.3F17 V18 L40 V175 L177 F186 F195L14-F17 WeakPolarHBondContact O-CB 3.22Å; L14-F17 PolarHBondContact O-N 3.09Å; L14-V18 HydrophobicContact CD2-CG2 3.58Å; L14-V18 WeakPolarHBondContact O-CG2 3.26Å; L14-V18 PolarHBondContact O-N 2.57Å; L14-L40 HydrophobicContact CB-CD1 4.27Å; L14-L40 HydrophobicContact CD1-CD1 3.92Å; L14-L40 HydrophobicContact CD1-CD2 3.53Å; L14-L40 HydrophobicContact CD1-CG 4.35Å; L14-L40 HydrophobicContact CD2-CD1 3.27Å; L14-L40 HydrophobicContact CD2-CD2 4.24Å; L14-L40 HydrophobicContact CD2-CG 4.27Å; L14-L40 HydrophobicContact CG-CD1 4Å; L14-L40 HydrophobicContact CG-CD2 4.48Å; L14-V175 HydrophobicContact CD1-CB 4.26Å; L14-V175 HydrophobicContact CD1-CG1 4.06Å; L14-L177 HydrophobicContact CD2-CD2 4.12Å; L14-F186 HydrophobicContact CB-CB 4.39Å; L14-F186 HydrophobicContact CB-CD1 3.59Å; L14-F186 HydrophobicContact CB-CE1 3.96Å; L14-F186 HydrophobicContact CB-CG 3.92Å; L14-F186 HydrophobicContact CD1-CB 3.84Å; L14-F186 HydrophobicContact CD1-CD1 4.16Å; L14-F186 HydrophobicContact CD1-CD2 3.61Å; L14-F186 HydrophobicContact CD1-CE2 4.22Å; L14-F186 HydrophobicContact CD1-CG 3.6Å; L14-F186 HydrophobicContact CG-CB 4.39Å; L14-F186 HydrophobicContact CG-CD1 3.77Å; L14-F186 HydrophobicContact CG-CD2 3.8Å; L14-F186 HydrophobicContact CG-CE1 3.96Å; L14-F186 HydrophobicContact CG-CE2 3.99Å; L14-F186 HydrophobicContact CG-CG 3.72Å; L14-F186 HydrophobicContact CG-CZ 4.08Å; L14-F195 HydrophobicContact CB-CB 3.65Å; L14-F195 HydrophobicContact CD1-CB 3.92Å; L14-F195 HydrophobicContact CD1-CG 4.25Å; L14-F195 HydrophobicContact CG-CB 4.45Å; L14-F195 PolarHBondContact N-O 3.45Å
15T91.9Very high83.5Confident44 Ų4490 Ų9027%0.2745%0.445SS..Hα-helixtrans-61.2-48.1174.3-64.40000111.3T13 F17 V18 M19 N37T13-T15 VanDerWaalsContact C-N 3.28Å; T13-T15 PolarHBondContact O-N 3.41Å; T15-F17 VanDerWaalsContact C-N 3.32Å; T15-F17 PolarHBondContact O-N 3.48Å; T15-V18 PolarHBondContact O-N 2.75Å; T15-M19 HydrophobicContact CG2-SD 3.95Å; T15-M19 WeakPolarHBondContact O-CB 3.47Å; T15-M19 VanDerWaalsContact O-CG 3.22Å; T15-M19 WeakPolarHBondContact O-CG 3.47Å; T15-M19 PolarHBondContact O-N 2.79Å; T15-N37 PolarHBondContact OG1-OD1 3Å
16R92.5Very high84.4Confident87 Ų8795 Ų9533%0.32846%0.458SS..Hα-helixtrans-59.8-44.4175176.3178.6169.7-174.41111.2D10 L12 T13 V18 M19 E20D10-R16 IonicContact OD1-CZ 3.7Å; D10-R16 IonicContact OD1-NH1 3.52Å; D10-R16 PolarHBondContact OD1-NH1 3.11Å; D10-R16 IonicContact OD1-NH2 3.67Å; D10-R16 IonicContact OD2-NH1 3.18Å; D10-R16 IonicContact OD2-NH2 2.83Å; L12-R16 HydrophobicContact CD1-CB 4.12Å; L12-R16 HydrophobicContact CD1-CG 3.67Å; T13-R16 PolarHBondContact O-N 3.28Å; T13-R16 WeakPolarHBondContact OG1-CB 3.37Å; T13-R16 PolarHBondContact OG1-N 2.87Å; R16-V18 PolarHBondContact O-N 3.42Å; R16-M19 PolarHBondContact O-N 3.43Å; R16-E20 HydrophobicContact CG-CG 4.33Å; R16-E20 WeakPolarHBondContact CG-OE1 3.36Å; R16-E20 IonicContact CZ-OE1 3.69Å; R16-E20 IonicContact NE-OE1 3.81Å; R16-E20 PolarHBondContact NE-OE1 3.37Å; R16-E20 IonicContact NH2-OE1 2.7Å; R16-E20 WeakPolarHBondContact O-CG 3.24Å; R16-E20 PolarHBondContact O-N 3.37Å
17F92.3Very high85.2Confident16 Ų1693.2 Ų93.27%0.0746%0.461CS..Hα-helixtrans-57.9-49.3-179.7-177.5-97.2000112.8L12 T13 L14 T15 E20 K21 D184 F186L12-F17 HydrophobicContact CD1-CB 4.41Å; L12-F17 HydrophobicContact CD2-CD2 4.03Å; L12-F17 HydrophobicContact CG-CB 4.43Å; L12-F17 HydrophobicContact CG-CD2 4.36Å; T13-F17 WeakPolarHBondContact O-CB 3.17Å; T13-F17 PolarHBondContact O-N 3.37Å; L14-F17 WeakPolarHBondContact O-CB 3.22Å; L14-F17 PolarHBondContact O-N 3.09Å; T15-F17 VanDerWaalsContact C-N 3.32Å; T15-F17 PolarHBondContact O-N 3.48Å; F17-E20 PolarHBondContact O-N 3.5Å; F17-K21 HydrophobicContact CD1-CD 4.24Å; F17-K21 HydrophobicContact CE1-CD 3.49Å; F17-K21 VanDerWaalsContact CE1-CD 3.49Å; F17-K21 HydrophobicContact CE1-CG 4.24Å; F17-K21 HydrophobicContact CZ-CD 3.68Å; F17-K21 HydrophobicContact CZ-CG 4.32Å; F17-K21 VanDerWaalsContact CZ-NZ 3.27Å; F17-K21 PolarHBondContact O-N 2.81Å; F17-D184 HydrophobicContact CE1-CB 4.4Å; F17-D184 HydrophobicContact CZ-CB 4.16Å; F17-D184 WeakPolarHBondContact CZ-OD2 3.43Å; F17-F186 HydrophobicContact CB-CE1 3.93Å; F17-F186 HydrophobicContact CB-CZ 4.09Å; F17-F186 HydrophobicContact CD1-CE1 4.24Å; F17-F186 HydrophobicContact CD1-CE2 4.41Å; F17-F186 AromaticContact CD1-CZ 3.51Å; F17-F186 HydrophobicContact CD1-CZ 3.51Å; F17-F186 HydrophobicContact CD2-CE1 4.42Å; F17-F186 HydrophobicContact CD2-CZ 4.18Å; F17-F186 AromaticContact CE1-CZ 3.87Å; F17-F186 HydrophobicContact CE1-CZ 3.87Å; F17-F186 AromaticContact CG-CE1 3.96Å; F17-F186 HydrophobicContact CG-CE1 3.96Å; F17-F186 AromaticContact CG-CZ 3.66Å; F17-F186 HydrophobicContact CG-CZ 3.66Å; F17-F186 HydrophobicContact CZ-CZ 4.34Å
18V89.1Confident85.9Confident8 Ų885.8 Ų85.85%0.04844%0.438CS..Hα-helixtrans-68.5-37179.6174.10000111.2L14 T15 R16 G22 T33 L36 L177L14-V18 HydrophobicContact CD2-CG2 3.58Å; L14-V18 WeakPolarHBondContact O-CG2 3.26Å; L14-V18 PolarHBondContact O-N 2.57Å; T15-V18 PolarHBondContact O-N 2.75Å; R16-V18 PolarHBondContact O-N 3.42Å; V18-G22 PolarHBondContact O-N 3.27Å; V18-T33 HydrophobicContact CG1-CG2 3.85Å; V18-L36 HydrophobicContact CB-CD1 4.47Å; V18-L36 HydrophobicContact CG1-CB 4.38Å; V18-L36 HydrophobicContact CG1-CD1 3.61Å; V18-L36 HydrophobicContact CG2-CD1 3.91Å; V18-L177 HydrophobicContact CG2-CD2 4.06Å
19M89.3Confident86.9Confident101 Ų10182.1 Ų82.150%0.49843%0.427SS..Hα-helixtrans-62.1-46.6173.4-73174.87000111.6T15 R16 G22 R23 T33T15-M19 HydrophobicContact CG2-SD 3.95Å; T15-M19 WeakPolarHBondContact O-CB 3.47Å; T15-M19 VanDerWaalsContact O-CG 3.22Å; T15-M19 WeakPolarHBondContact O-CG 3.47Å; T15-M19 PolarHBondContact O-N 2.79Å; R16-M19 PolarHBondContact O-N 3.43Å; M19-G22 PolarHBondContact O-N 2.97Å; M19-R23 WeakPolarHBondContact O-CG 3.4Å; M19-R23 PolarHBondContact O-N 3.01Å; M19-T33 HydrophobicContact CG-CG2 3.75Å
20E90.4Very high87.3Confident66 Ų6677.5 Ų77.531%0.30841%0.406SS..Hα-helixtrans-64.7-43.4178.5-74.8-175.7-167.900112.4R16 F17 R23 R24R16-E20 HydrophobicContact CG-CG 4.33Å; R16-E20 WeakPolarHBondContact CG-OE1 3.36Å; R16-E20 IonicContact CZ-OE1 3.69Å; R16-E20 IonicContact NE-OE1 3.81Å; R16-E20 PolarHBondContact NE-OE1 3.37Å; R16-E20 IonicContact NH2-OE1 2.7Å; R16-E20 WeakPolarHBondContact O-CG 3.24Å; R16-E20 PolarHBondContact O-N 3.37Å; F17-E20 PolarHBondContact O-N 3.5Å; E20-R23 PolarHBondContact O-N 3.32Å; E20-R24 WeakPolarHBondContact O-CG 3.06Å
21K86Confident87.6Confident43 Ų4374.9 Ų74.919%0.18739%0.39CS..Hα-helixtrans-61.8-45.7173.9-83.5-167168.3175.90111F17 R23 R24 D184F17-K21 HydrophobicContact CD1-CD 4.24Å; F17-K21 HydrophobicContact CE1-CD 3.49Å; F17-K21 VanDerWaalsContact CE1-CD 3.49Å; F17-K21 HydrophobicContact CE1-CG 4.24Å; F17-K21 HydrophobicContact CZ-CD 3.68Å; F17-K21 HydrophobicContact CZ-CG 4.32Å; F17-K21 VanDerWaalsContact CZ-NZ 3.27Å; F17-K21 PolarHBondContact O-N 2.81Å; K21-R23 VanDerWaalsContact C-N 3.34Å; K21-R23 PolarHBondContact O-N 3.26Å; K21-R24 PolarHBondContact O-N 2.75Å; K21-R24 VanDerWaalsContact O-N 3.14Å; K21-D184 IonicContact NZ-OD2 2.81Å; K21-D184 PolarHBondContact NZ-OD2 2.95Å
22G84.9Confident87.9Confident21 Ų2172 Ų7222%0.21638%0.377CS..Hα-helixtrans-58.6-41.417900000113.3V18 M19 R24 V25 A28V18-G22 PolarHBondContact O-N 3.27Å; M19-G22 PolarHBondContact O-N 2.97Å; G22-R24 PolarHBondContact O-N 3.5Å; G22-V25 PolarHBondContact O-N 2.91Å; G22-A28 WeakPolarHBondContact O-CB 3.21Å
23R86.4Confident87.9Confident224 Ų22471.1 Ų71.185%0.84537%0.373SS*.Hα-helixtrans-64.7-22.6178.4-72.8-179.877.5176.55.5114.1M19 E20 K21M19-R23 WeakPolarHBondContact O-CG 3.4Å; M19-R23 PolarHBondContact O-N 3.01Å; E20-R23 PolarHBondContact O-N 3.32Å; K21-R23 VanDerWaalsContact C-N 3.34Å; K21-R23 PolarHBondContact O-N 3.26Å
24R85.2Confident87.8Confident195 Ų19573.8 Ų73.874%0.73638%0.383SS*.Hα-helixtrans-83.1-16.7178.8-64.4174.5-169.6-174.74.3112.7E20 K21 G22E20-R24 WeakPolarHBondContact O-CG 3.06Å; K21-R24 PolarHBondContact O-N 2.75Å; K21-R24 VanDerWaalsContact O-N 3.14Å; G22-R24 PolarHBondContact O-N 3.5Å
25V82.5Confident88Confident85 Ų8573.7 Ų73.752%0.51538%0.383SS..SBendtrans-87.1117.8-179178.80000109.7G22 G27 A28G22-V25 PolarHBondContact O-N 2.91Å; V25-G27 PolarHBondContact O-N 3.11Å; V25-A28 HydrophobicContact CB-CB 4.01Å; V25-A28 HydrophobicContact CG1-CB 4.21Å; V25-A28 WeakPolarHBondContact O-CB 3.49Å; V25-A28 PolarHBondContact O-N 3.34Å
26K77.8Confident88.3Confident209 Ų20971.8 Ų71.891%0.90937%0.371SS*.THydrogen-bonded Turntrans-60.4129.4176.1-68.6-173.5178.51800110.3A28K26-A28 VanDerWaalsContact C-N 3.32Å; K26-A28 PolarHBondContact O-N 3.33Å
27G75.8Confident88.4Confident77 Ų7769.8 Ų69.879%0.79437%0.366SS*.THydrogen-bonded Turntrans77.69.9178.900000115.1V25 T29V25-G27 PolarHBondContact O-N 3.11Å; G27-T29 PolarHBondContact O-N 3.33Å
28A81.1Confident88.7Confident54 Ų5469.9 Ų69.945%0.44637%0.369SS..  trans-68.1127172.800000111.3G22 V25 K26G22-A28 WeakPolarHBondContact O-CB 3.21Å; V25-A28 HydrophobicContact CB-CB 4.01Å; V25-A28 HydrophobicContact CG1-CB 4.21Å; V25-A28 WeakPolarHBondContact O-CB 3.49Å; V25-A28 PolarHBondContact O-N 3.34Å; K26-A28 VanDerWaalsContact C-N 3.32Å; K26-A28 PolarHBondContact O-N 3.33Å
29T85.9Confident89.1Confident92 Ų9269.6 Ų69.656%0.56437%0.367SS*.  trans-88.2-11.4179.958.30000113.5G27 E31 K114G27-T29 PolarHBondContact O-N 3.33Å; T29-E31 WeakPolarHBondContact OG1-CG 3.45Å; T29-E31 PolarHBondContact OG1-OE1 3.12Å; T29-K114 PolarHBondContact OG1-NZ 3.24Å
30G89.1Confident89.4Confident34 Ų3465.3 Ų65.335%0.35135%0.346SS..SBendtrans90-9.4-172.800000114.8L32 T33 Q34G30-L32 VanDerWaalsContact C-N 3.31Å; G30-L32 PolarHBondContact O-N 2.81Å; G30-T33 WeakPolarHBondContact O-CA 3.14Å; G30-T33 VanDerWaalsContact O-CB 3.28Å; G30-T33 WeakPolarHBondContact O-CB 3.47Å; G30-T33 PolarHBondContact O-N 2.78Å; G30-Q34 PolarHBondContact O-N 3.45Å
31E91.9Very high89.8Confident47 Ų4765.3 Ų65.322%0.2235%0.351CS..Hα-helixtrans-56.3-40.7179.4-75166.1-112.400112.9T29 T33 Q34 L35 S92 K114 Y115T29-E31 WeakPolarHBondContact OG1-CG 3.45Å; T29-E31 PolarHBondContact OG1-OE1 3.12Å; E31-T33 VanDerWaalsContact C-N 3.3Å; E31-T33 PolarHBondContact O-N 2.7Å; E31-Q34 PolarHBondContact O-N 2.98Å; E31-L35 WeakPolarHBondContact O-CB 3.17Å; E31-L35 PolarHBondContact O-N 2.92Å; E31-S92 PolarHBondContact O-OG 3.33Å; E31-S92 VanDerWaalsContact O-OG 3.09Å; E31-K114 VanDerWaalsContact CD-NZ 3.26Å; E31-K114 IonicContact OE1-NZ 3.57Å; E31-K114 PolarHBondContact OE1-NZ 2.75Å; E31-K114 VanDerWaalsContact OE2-CD 3.24Å; E31-K114 WeakPolarHBondContact OE2-CD 3.42Å; E31-K114 WeakPolarHBondContact OE2-CE 3.3Å; E31-K114 WeakPolarHBondContact OE2-CG 3.48Å; E31-K114 IonicContact OE2-NZ 3.53Å; E31-K114 PolarHBondContact OE2-NZ 3.35Å; E31-Y115 HydrophobicContact CB-CD2 4.5Å; E31-Y115 HydrophobicContact CB-CE2 3.82Å
32L92Very high90.4Very high36 Ų3663.3 Ų63.319%0.18834%0.342CS..Hα-helixtrans-64.4-36.3176-175.859.1000112.1G30 L35 L36 Y115 I140 A163G30-L32 VanDerWaalsContact C-N 3.31Å; G30-L32 PolarHBondContact O-N 2.81Å; L32-L35 HydrophobicContact CD1-CD2 4.33Å; L32-L35 PolarHBondContact O-N 2.83Å; L32-L36 HydrophobicContact CD1-CD1 4.37Å; L32-L36 HydrophobicContact CD1-CG 4.35Å; L32-L36 HydrophobicContact CG-CD1 4.12Å; L32-L36 WeakPolarHBondContact O-CB 3.44Å; L32-L36 WeakPolarHBondContact O-CG 3.49Å; L32-L36 PolarHBondContact O-N 3.28Å; L32-Y115 HydrophobicContact CB-CE2 4.08Å; L32-Y115 HydrophobicContact CD1-CE1 4.33Å; L32-I140 HydrophobicContact CD1-CD1 4.15Å; L32-I140 HydrophobicContact CD1-CG2 4.22Å; L32-A163 HydrophobicContact CD1-CB 4.42Å
33T93.1Very high91Very high22 Ų2262.3 Ų62.314%0.13533%0.332CS..Hα-helixtrans-64.9-43.6176.2-56.40000110.8V18 M19 G30 E31 L36 N37V18-T33 HydrophobicContact CG1-CG2 3.85Å; M19-T33 HydrophobicContact CG-CG2 3.75Å; G30-T33 WeakPolarHBondContact O-CA 3.14Å; G30-T33 VanDerWaalsContact O-CB 3.28Å; G30-T33 WeakPolarHBondContact O-CB 3.47Å; G30-T33 PolarHBondContact O-N 2.78Å; E31-T33 VanDerWaalsContact C-N 3.3Å; E31-T33 PolarHBondContact O-N 2.7Å; T33-L36 PolarHBondContact O-N 3.36Å; T33-N37 WeakPolarHBondContact O-CB 3.37Å; T33-N37 PolarHBondContact O-N 3.37Å; T33-N37 PolarHBondContact O-ND2 3.04Å
34Q94.8Very high91.6Very high87 Ų8754.7 Ų54.741%0.40731%0.305SS..Hα-helixtrans-62.7-46175.6-174.3171.9400111.4G30 E31 L36 N37 S38 S90G30-Q34 PolarHBondContact O-N 3.45Å; E31-Q34 PolarHBondContact O-N 2.98Å; Q34-L36 PolarHBondContact O-N 3.31Å; Q34-N37 PolarHBondContact O-N 2.76Å; Q34-S38 PolarHBondContact O-N 2.9Å; Q34-S90 WeakPolarHBondContact CG-O 3.33Å; Q34-S90 PolarHBondContact NE2-O 3.01Å; Q34-S90 PolarHBondContact OE1-O 3.26Å
35L96.9Very high92.2Very high0 Ų047.3 Ų47.30%029%0.286CS..Hα-helixtrans-56.9-48.6176.3-179.657.3000112.4E31 L32 S38 M39 L87 T93 Y115 V117 I140E31-L35 WeakPolarHBondContact O-CB 3.17Å; E31-L35 PolarHBondContact O-N 2.92Å; L32-L35 HydrophobicContact CD1-CD2 4.33Å; L32-L35 PolarHBondContact O-N 2.83Å; L35-S38 WeakPolarHBondContact O-CB 3.33Å; L35-S38 PolarHBondContact O-N 3.35Å; L35-M39 PolarHBondContact O-N 2.91Å; L35-L87 HydrophobicContact CD1-CD2 3.58Å; L35-T93 HydrophobicContact CD1-CG2 3.41Å; L35-T93 VanDerWaalsContact CD1-CG2 3.41Å; L35-T93 HydrophobicContact CD2-CG2 4.47Å; L35-Y115 HydrophobicContact CD2-CD2 3.91Å; L35-Y115 HydrophobicContact CD2-CG 3.81Å; L35-V117 HydrophobicContact CD1-CG2 4.2Å; L35-V117 HydrophobicContact CD2-CG2 4.08Å; L35-I140 HydrophobicContact CD2-CD1 3.88Å; L35-I140 HydrophobicContact CD2-CG1 4.34Å; L35-I140 HydrophobicContact CD2-CG2 3.71Å; L35-I140 HydrophobicContact CG-CD1 4.22Å
36L96.4Very high92.9Very high4 Ų443.4 Ų43.42%0.02126%0.262CS..Hα-helixtrans-63.4-44.2178.4-73.4170000111V18 L32 T33 Q34 S38 M39 L40 F138 I140 L177V18-L36 HydrophobicContact CB-CD1 4.47Å; V18-L36 HydrophobicContact CG1-CB 4.38Å; V18-L36 HydrophobicContact CG1-CD1 3.61Å; V18-L36 HydrophobicContact CG2-CD1 3.91Å; L32-L36 HydrophobicContact CD1-CD1 4.37Å; L32-L36 HydrophobicContact CD1-CG 4.35Å; L32-L36 HydrophobicContact CG-CD1 4.12Å; L32-L36 WeakPolarHBondContact O-CB 3.44Å; L32-L36 WeakPolarHBondContact O-CG 3.49Å; L32-L36 PolarHBondContact O-N 3.28Å; T33-L36 PolarHBondContact O-N 3.36Å; Q34-L36 PolarHBondContact O-N 3.31Å; L36-S38 VanDerWaalsContact C-N 3.32Å; L36-S38 PolarHBondContact O-N 2.82Å; L36-M39 WeakPolarHBondContact O-CB 3.33Å; L36-M39 PolarHBondContact O-N 2.63Å; L36-M39 VanDerWaalsContact O-N 3.13Å; L36-L40 VanDerWaalsContact O-CG 3.24Å; L36-L40 WeakPolarHBondContact O-CG 3.41Å; L36-L40 PolarHBondContact O-N 2.95Å; L36-F138 HydrophobicContact CD2-CE2 4.22Å; L36-I140 HydrophobicContact CD2-CD1 3.88Å; L36-L177 HydrophobicContact CD1-CD2 4.44Å; L36-L177 HydrophobicContact CD2-CD1 3.87Å
37N95.5Very high93.9Very high44 Ų4433.7 Ų33.724%0.23522%0.22CC..Hα-helixtrans-59.9-39.8176.1-75.8-27.9000112.8T15 T33 Q34 L40 T41T15-N37 PolarHBondContact OG1-OD1 3Å; T33-N37 WeakPolarHBondContact O-CB 3.37Å; T33-N37 PolarHBondContact O-N 3.37Å; T33-N37 PolarHBondContact O-ND2 3.04Å; Q34-N37 PolarHBondContact O-N 2.76Å; N37-L40 PolarHBondContact O-N 3.07Å; N37-T41 PolarHBondContact O-N 2.88Å; N37-T41 PolarHBondContact O-OG1 3.08Å
38S97.8Very high94.8Very high18 Ų1832.6 Ų32.613%0.12620%0.2CC..Hα-helixtrans-61.6-45.4172.8-78.70000111.9Q34 L35 L36 L40 T41 A42 M86 S90Q34-S38 PolarHBondContact O-N 2.9Å; L35-S38 WeakPolarHBondContact O-CB 3.33Å; L35-S38 PolarHBondContact O-N 3.35Å; L36-S38 VanDerWaalsContact C-N 3.32Å; L36-S38 PolarHBondContact O-N 2.82Å; S38-L40 PolarHBondContact O-N 3.26Å; S38-T41 WeakPolarHBondContact O-CB 3.38Å; S38-T41 PolarHBondContact O-N 3.2Å; S38-A42 PolarHBondContact O-N 2.84Å; S38-A42 VanDerWaalsContact O-N 3.09Å; S38-M86 VanDerWaalsContact CB-O 3.26Å; S38-M86 WeakPolarHBondContact CB-O 3.46Å; S38-M86 PolarHBondContact OG-O 2.91Å; S38-S90 VanDerWaalsContact OG-CB 3.24Å; S38-S90 WeakPolarHBondContact OG-CB 3.22Å
39M98.2Very high95.4Very high2 Ų230.7 Ų30.71%0.0119%0.185CC..Hα-helixtrans-60.1-45.1176.2-178.159.884.100111.8L35 L36 T41 A42 I43 V83 L87 V117 F138L35-M39 PolarHBondContact O-N 2.91Å; L36-M39 WeakPolarHBondContact O-CB 3.33Å; L36-M39 PolarHBondContact O-N 2.63Å; L36-M39 VanDerWaalsContact O-N 3.13Å; M39-T41 VanDerWaalsContact C-N 3.27Å; M39-T41 PolarHBondContact O-N 3.06Å; M39-A42 WeakPolarHBondContact O-CB 3.41Å; M39-A42 PolarHBondContact O-N 3.41Å; M39-A42 VanDerWaalsContact O-N 3.17Å; M39-I43 HydrophobicContact CG-CD1 3.9Å; M39-I43 WeakPolarHBondContact O-CG1 3.41Å; M39-I43 PolarHBondContact O-N 3.26Å; M39-I43 HydrophobicContact SD-CD1 4.43Å; M39-V83 HydrophobicContact CE-CG1 4.08Å; M39-V83 HydrophobicContact SD-CG1 4.24Å; M39-L87 HydrophobicContact CB-CD2 4.29Å; M39-L87 HydrophobicContact CE-CD1 3.94Å; M39-L87 HydrophobicContact CE-CD2 3.94Å; M39-L87 HydrophobicContact CE-CG 4.41Å; M39-V117 HydrophobicContact CE-CG1 4.14Å; M39-F138 HydrophobicContact CE-CB 3.7Å; M39-F138 HydrophobicContact CE-CD1 4.31Å; M39-F138 HydrophobicContact CE-CD2 4.37Å; M39-F138 HydrophobicContact CE-CG 3.88Å; M39-F138 HydrophobicContact CG-CD1 4.14Å; M39-F138 HydrophobicContact CG-CE1 4.15Å; M39-F138 HydrophobicContact CG-CG 4.36Å; M39-F138 HydrophobicContact CG-CZ 4.38Å; M39-F138 HydrophobicContact SD-CD1 4.34Å; M39-F138 HydrophobicContact SD-CG 4.49Å
40L96.6Very high95.8Very high11 Ų1127.7 Ų27.76%0.05817%0.166CC..Hα-helixtrans-63.1-34.8177.7-63171.1000112.5L14 L36 N37 S38 I43 K44 V175 F195L14-L40 HydrophobicContact CB-CD1 4.27Å; L14-L40 HydrophobicContact CD1-CD1 3.92Å; L14-L40 HydrophobicContact CD1-CD2 3.53Å; L14-L40 HydrophobicContact CD1-CG 4.35Å; L14-L40 HydrophobicContact CD2-CD1 3.27Å; L14-L40 HydrophobicContact CD2-CD2 4.24Å; L14-L40 HydrophobicContact CD2-CG 4.27Å; L14-L40 HydrophobicContact CG-CD1 4Å; L14-L40 HydrophobicContact CG-CD2 4.48Å; L36-L40 VanDerWaalsContact O-CG 3.24Å; L36-L40 WeakPolarHBondContact O-CG 3.41Å; L36-L40 PolarHBondContact O-N 2.95Å; N37-L40 PolarHBondContact O-N 3.07Å; S38-L40 PolarHBondContact O-N 3.26Å; L40-I43 HydrophobicContact CD2-CD1 4.33Å; L40-I43 PolarHBondContact O-N 3.06Å; L40-K44 WeakPolarHBondContact O-CG 3.42Å; L40-K44 PolarHBondContact O-N 3.43Å; L40-V175 HydrophobicContact CD2-CG1 4.25Å; L40-V175 HydrophobicContact CD2-CG2 4.22Å; L40-F195 HydrophobicContact CB-CD2 4.38Å; L40-F195 HydrophobicContact CB-CE2 4.27Å; L40-F195 HydrophobicContact CD2-CD2 4.05Å; L40-F195 HydrophobicContact CD2-CE2 4.08Å
41T97.9Very high96Very high66 Ų6631.5 Ų31.541%0.40517%0.17SC..Hα-helixtrans-65.2-43.5175.1-580000110.9N37 S38 M39 K44 A45 M86N37-T41 PolarHBondContact O-N 2.88Å; N37-T41 PolarHBondContact O-OG1 3.08Å; S38-T41 WeakPolarHBondContact O-CB 3.38Å; S38-T41 PolarHBondContact O-N 3.2Å; M39-T41 VanDerWaalsContact C-N 3.27Å; M39-T41 PolarHBondContact O-N 3.06Å; T41-K44 PolarHBondContact O-N 3.46Å; T41-A45 PolarHBondContact O-N 3.24Å; T41-A45 VanDerWaalsContact O-N 3.08Å; T41-M86 HydrophobicContact CG2-SD 3.96Å
42A98.3Very high95.9Very high1 Ų134.3 Ų34.31%0.00818%0.182CC..Hα-helixtrans-59.7-46.6172.600000111.5S38 M39 K44 A45 I46 V83 M86S38-A42 PolarHBondContact O-N 2.84Å; S38-A42 VanDerWaalsContact O-N 3.09Å; M39-A42 WeakPolarHBondContact O-CB 3.41Å; M39-A42 PolarHBondContact O-N 3.41Å; M39-A42 VanDerWaalsContact O-N 3.17Å; A42-K44 VanDerWaalsContact C-N 3.33Å; A42-K44 PolarHBondContact O-N 2.95Å; A42-A45 WeakPolarHBondContact O-CB 3.29Å; A42-A45 PolarHBondContact O-N 2.9Å; A42-A45 VanDerWaalsContact O-N 3.12Å; A42-I46 VanDerWaalsContact O-CG1 3.31Å; A42-I46 WeakPolarHBondContact O-CG1 3.25Å; A42-I46 PolarHBondContact O-N 3.29Å; A42-V83 HydrophobicContact CB-CG2 4.01Å; A42-M86 HydrophobicContact CB-CB 4.1Å; A42-M86 HydrophobicContact CB-CG 3.92Å
43I98.5Very high95.6Very high0 Ų032.7 Ų32.70%017%0.174CC..Hα-helixtrans-58.6-42.5177.8-68.6162.9000111.3M39 L40 A45 I46 S47 F138 A167 Y169 V175 F195M39-I43 HydrophobicContact CG-CD1 3.9Å; M39-I43 WeakPolarHBondContact O-CG1 3.41Å; M39-I43 PolarHBondContact O-N 3.26Å; M39-I43 HydrophobicContact SD-CD1 4.43Å; L40-I43 HydrophobicContact CD2-CD1 4.33Å; L40-I43 PolarHBondContact O-N 3.06Å; I43-A45 PolarHBondContact O-N 2.93Å; I43-I46 PolarHBondContact O-N 3.04Å; I43-S47 WeakPolarHBondContact O-CB 3.14Å; I43-S47 PolarHBondContact O-N 3.48Å; I43-F138 HydrophobicContact CD1-CE1 4.28Å; I43-A167 HydrophobicContact CB-CB 4.38Å; I43-A167 HydrophobicContact CD1-CB 4Å; I43-A167 HydrophobicContact CG1-CB 3.97Å; I43-A167 HydrophobicContact CG2-CB 3.47Å; I43-A167 VanDerWaalsContact CG2-CB 3.47Å; I43-Y169 HydrophobicContact CG2-CE1 3.95Å; I43-V175 HydrophobicContact CD1-CG2 4.08Å; I43-V175 HydrophobicContact CG2-CG2 4.08Å; I43-F195 HydrophobicContact CG2-CE2 4.4Å; I43-F195 HydrophobicContact CG2-CZ 3.77Å
44K98.3Very high95Very high65 Ų6533.5 Ų33.528%0.28319%0.186SC..Hα-helixtrans-62.3-42.1175.6-74.1-172.1-69.4-177.50112.2L40 T41 A42 S47 S48 L188 G193 F195L40-K44 WeakPolarHBondContact O-CG 3.42Å; L40-K44 PolarHBondContact O-N 3.43Å; T41-K44 PolarHBondContact O-N 3.46Å; A42-K44 VanDerWaalsContact C-N 3.33Å; A42-K44 PolarHBondContact O-N 2.95Å; K44-S47 WeakPolarHBondContact O-CB 3.47Å; K44-S47 PolarHBondContact O-N 3.18Å; K44-S48 PolarHBondContact O-N 3.04Å; K44-L188 HydrophobicContact CD-CD1 4.04Å; K44-L188 HydrophobicContact CG-CD1 4.01Å; K44-G193 WeakPolarHBondContact CD-O 3.35Å; K44-G193 PolarHBondContact NZ-O 3.27Å; K44-F195 HydrophobicContact CD-CE2 4.3Å; K44-F195 HydrophobicContact CG-CE2 3.73Å; K44-F195 HydrophobicContact CG-CZ 4.28Å
45A97.7Very high94.2Very high40 Ų4036.5 Ų36.533%0.33120%0.204SC..Hα-helixtrans-64.9-45.1177.600000111.7T41 A42 I43 S48 A49 L82T41-A45 PolarHBondContact O-N 3.24Å; T41-A45 VanDerWaalsContact O-N 3.08Å; A42-A45 WeakPolarHBondContact O-CB 3.29Å; A42-A45 PolarHBondContact O-N 2.9Å; A42-A45 VanDerWaalsContact O-N 3.12Å; I43-A45 PolarHBondContact O-N 2.93Å; A45-S48 PolarHBondContact O-N 3.22Å; A45-A49 PolarHBondContact O-N 3.48Å; A45-L82 HydrophobicContact CB-CD1 3.88Å; A45-L82 HydrophobicContact CB-CD2 4.29Å
46I97.6Very high93.3Very high3 Ų339.3 Ų39.32%0.01523%0.228CC..Hα-helixtrans-62.4-47.8175.8-64.6164.5000110.3A42 I43 S48 A49 V50 L82 V83 L122 Y169A42-I46 VanDerWaalsContact O-CG1 3.31Å; A42-I46 WeakPolarHBondContact O-CG1 3.25Å; A42-I46 PolarHBondContact O-N 3.29Å; I43-I46 PolarHBondContact O-N 3.04Å; I46-S48 VanDerWaalsContact C-N 3.26Å; I46-S48 PolarHBondContact O-N 3.24Å; I46-A49 WeakPolarHBondContact O-CA 3.42Å; I46-A49 WeakPolarHBondContact O-CB 3.41Å; I46-A49 PolarHBondContact O-N 3.32Å; I46-V50 HydrophobicContact CG2-CG2 3.97Å; I46-V50 WeakPolarHBondContact O-CG2 3.44Å; I46-V50 PolarHBondContact O-N 3.47Å; I46-L82 HydrophobicContact CG1-CD1 3.91Å; I46-V83 HydrophobicContact CD1-CG2 3.92Å; I46-L122 HydrophobicContact CG2-CD1 4.22Å; I46-Y169 HydrophobicContact CG2-CD2 4.43Å; I46-Y169 HydrophobicContact CG2-CE1 4.26Å; I46-Y169 HydrophobicContact CG2-CE2 3.61Å; I46-Y169 WeakPolarHBondContact CG2-OH 3.43Å
47S97.6Very high92.4Very high4 Ų446.5 Ų46.53%0.02826%0.26CS..Hα-helixtrans-52.4-41.2175.9168.80000113I43 K44 R51 T173 L188I43-S47 WeakPolarHBondContact O-CB 3.14Å; I43-S47 PolarHBondContact O-N 3.48Å; K44-S47 WeakPolarHBondContact O-CB 3.47Å; K44-S47 PolarHBondContact O-N 3.18Å; S47-R51 WeakPolarHBondContact O-CG 3.44Å; S47-R51 PolarHBondContact O-N 2.88Å; S47-R51 PolarHBondContact O-NH1 3.25Å; S47-R51 PolarHBondContact OG-NH1 3Å; S47-T173 PolarHBondContact OG-OG1 3.03Å; S47-L188 WeakPolarHBondContact OG-CD2 3.19Å
48S95.8Very high91.1Very high54 Ų5446 Ų4638%0.37826%0.257SS..Hα-helixtrans-69.2-41.4174170.40000112.4K44 A45 I46 K52K44-S48 PolarHBondContact O-N 3.04Å; A45-S48 PolarHBondContact O-N 3.22Å; I46-S48 VanDerWaalsContact C-N 3.26Å; I46-S48 PolarHBondContact O-N 3.24Å; S48-K52 WeakPolarHBondContact O-CE 3.46Å; S48-K52 WeakPolarHBondContact OG-CE 3.43Å; S48-K52 PolarHBondContact OG-NZ 3.26Å
49A93.9Very high89.9Confident14 Ų1448.4 Ų48.412%0.11627%0.265CS..Hα-helixtrans-65.9-47.7178.100000112.1A45 I46 R51 K52 A53 M58 L75 L78A45-A49 PolarHBondContact O-N 3.48Å; I46-A49 WeakPolarHBondContact O-CA 3.42Å; I46-A49 WeakPolarHBondContact O-CB 3.41Å; I46-A49 PolarHBondContact O-N 3.32Å; A49-R51 VanDerWaalsContact C-N 3.33Å; A49-R51 PolarHBondContact O-N 3.01Å; A49-K52 CarbonylContact O-C 3.46Å; A49-K52 PolarHBondContact O-N 3.4Å; A49-A53 PolarHBondContact O-N 3.01Å; A49-M58 HydrophobicContact CB-SD 4.46Å; A49-L75 HydrophobicContact CB-CD2 4.22Å; A49-L78 HydrophobicContact CB-CD2 3.57Å
50V94.2Very high88.3Confident30 Ų3049.6 Ų49.618%0.18228%0.278CS..Hα-helixtrans-56.3-45.5178.7169.80000111.1I46 K52 A53 L122 I134 Y169I46-V50 HydrophobicContact CG2-CG2 3.97Å; I46-V50 WeakPolarHBondContact O-CG2 3.44Å; I46-V50 PolarHBondContact O-N 3.47Å; V50-K52 PolarHBondContact O-N 3.5Å; V50-K52 VanDerWaalsContact O-N 3.14Å; V50-A53 WeakPolarHBondContact O-CB 3.33Å; V50-A53 PolarHBondContact O-N 3Å; V50-L122 HydrophobicContact CG2-CD1 4.4Å; V50-I134 HydrophobicContact CG1-CD1 3.85Å; V50-I134 HydrophobicContact CG1-CG1 4.28Å; V50-I134 HydrophobicContact CG2-CD1 3.95Å; V50-Y169 HydrophobicContact CG2-CD2 4.42Å
51R93.5Very high87Confident113 Ų11353.3 Ų53.343%0.42630%0.297SS..Hα-helixtrans-63.6-19.2179-78.1172.8174.774.2-2.4114.8S47 A49 T173S47-R51 WeakPolarHBondContact O-CG 3.44Å; S47-R51 PolarHBondContact O-N 2.88Å; S47-R51 PolarHBondContact O-NH1 3.25Å; S47-R51 PolarHBondContact OG-NH1 3Å; A49-R51 VanDerWaalsContact C-N 3.33Å; A49-R51 PolarHBondContact O-N 3.01Å; R51-T173 VanDerWaalsContact CZ-OG1 3.25Å; R51-T173 PolarHBondContact NH1-OG1 2.91Å; R51-T173 PolarHBondContact NH2-OG1 2.8Å
52K89.5Confident85.6Confident107 Ų10752.1 Ų52.147%0.46529%0.294SS..THydrogen-bonded Turntrans-118.39.7-177.6-66.4177.5-68.6-175.10112.5S48 A49 V50 G54 L55 A56S48-K52 WeakPolarHBondContact O-CE 3.46Å; S48-K52 WeakPolarHBondContact OG-CE 3.43Å; S48-K52 PolarHBondContact OG-NZ 3.26Å; A49-K52 CarbonylContact O-C 3.46Å; A49-K52 PolarHBondContact O-N 3.4Å; V50-K52 PolarHBondContact O-N 3.5Å; V50-K52 VanDerWaalsContact O-N 3.14Å; K52-G54 VanDerWaalsContact C-N 3.31Å; K52-G54 PolarHBondContact O-N 2.79Å; K52-L55 PolarHBondContact O-N 2.97Å; K52-A56 PolarHBondContact O-N 2.83Å
53A85.1Confident83.8Confident2 Ų255.4 Ų55.42%0.01733%0.328CS..THydrogen-bonded Turntrans-58.7-40.3-168.800000113.3A49 V50 A56 H57 M58 F59 L75A49-A53 PolarHBondContact O-N 3.01Å; V50-A53 WeakPolarHBondContact O-CB 3.33Å; V50-A53 PolarHBondContact O-N 3Å; A53-A56 PolarHBondContact O-N 2.65Å; A53-H57 PolarHBondContact O-N 3.39Å; A53-M58 HydrophobicContact CB-CB 4.16Å; A53-M58 PolarHBondContact O-N 3.17Å; A53-F59 HydrophobicContact CB-CD1 3.9Å; A53-F59 HydrophobicContact CB-CE1 3.33Å; A53-F59 HydrophobicContact CB-CZ 3.93Å; A53-L75 HydrophobicContact CB-CD1 3.74Å
54G80.8Confident82.4Confident39 Ų3959.2 Ų59.240%0.40235%0.351SS..THydrogen-bonded Turntrans-67.5-33.8175.800000113.9K52 F59K52-G54 VanDerWaalsContact C-N 3.31Å; K52-G54 PolarHBondContact O-N 2.79Å; G54-F59 VanDerWaalsContact N-CZ 3.35Å
55L78.2Confident80.9Confident150 Ų15062.1 Ų62.179%0.78537%0.367SS*.THydrogen-bonded Turntrans-77.7-32.7178.8-61.6176.2000112.3K52 H57K52-L55 PolarHBondContact O-N 2.97Å; L55-H57 VanDerWaalsContact C-N 3.31Å
56A77.4Confident79.3Confident59 Ų5961 Ų6149%0.48836%0.356SS..THydrogen-bonded Turntrans-91.313.6-178.700000113.2K52 A53 M58K52-A56 PolarHBondContact O-N 2.83Å; A53-A56 PolarHBondContact O-N 2.65Å; A56-M58 HydrophobicContact CB-CG 3.74Å; A56-M58 HydrophobicContact CB-SD 4.24Å; A56-M58 WeakPolarHBondContact O-CG 3.46Å; A56-M58 PolarHBondContact O-N 3.01Å; A56-M58 VanDerWaalsContact O-N 3.13Å
57H77.1Confident78.1Confident154 Ų15463.9 Ų63.971%0.71337%0.373SS*.THydrogen-bonded Turntrans50.835.3-177.1-58.5-69.4000113.8A53 L55 K74A53-H57 PolarHBondContact O-N 3.39Å; L55-H57 VanDerWaalsContact C-N 3.31Å; H57-K74 PolarHBondContact O-NZ 2.72Å; H57-K74 VanDerWaalsContact O-NZ 3.12Å
58M69.3Low76.2Confident35 Ų3564.8 Ų64.817%0.17238%0.379CS..  trans-89.3-2.2-178.5-61.1-161.176.700113.4A49 A53 A56 L75 L78A49-M58 HydrophobicContact CB-SD 4.46Å; A53-M58 HydrophobicContact CB-CB 4.16Å; A53-M58 PolarHBondContact O-N 3.17Å; A56-M58 HydrophobicContact CB-CG 3.74Å; A56-M58 HydrophobicContact CB-SD 4.24Å; A56-M58 WeakPolarHBondContact O-CG 3.46Å; A56-M58 PolarHBondContact O-N 3.01Å; A56-M58 VanDerWaalsContact O-N 3.13Å; M58-L75 HydrophobicContact CB-CD2 4.23Å; M58-L75 HydrophobicContact CB-CG 4.15Å; M58-L75 HydrophobicContact CE-CD2 3.69Å; M58-L75 HydrophobicContact CE-CG 4.38Å; M58-L75 HydrophobicContact SD-CD2 3.87Å; M58-L78 HydrophobicContact CE-CB 4.04Å; M58-L78 HydrophobicContact CE-CD2 3.42Å; M58-L78 VanDerWaalsContact CE-CD2 3.42Å; M58-L78 HydrophobicContact CE-CG 4.28Å; M58-L78 HydrophobicContact SD-CD2 4.18Å
59F71.7Confident74.6Confident67 Ų6764.3 Ų64.329%0.29438%0.382SS..  trans-74.7153.3169.8-62.7-28.8000111.8A53 G54 I128 L131A53-F59 HydrophobicContact CB-CD1 3.9Å; A53-F59 HydrophobicContact CB-CE1 3.33Å; A53-F59 HydrophobicContact CB-CZ 3.93Å; G54-F59 VanDerWaalsContact N-CZ 3.35Å; F59-I128 HydrophobicContact CD1-CG2 3.6Å; F59-I128 HydrophobicContact CE1-CG2 3.68Å; F59-L131 HydrophobicContact CE1-CD2 4.48Å; F59-L131 HydrophobicContact CE2-CD2 4.37Å; F59-L131 HydrophobicContact CZ-CD2 3.65Å
60G66Low73.4Confident27 Ų2765.9 Ų65.928%0.27839%0.389SS..SBendtrans93.2176.8179.600000115.8K73 K74G60-K73 WeakPolarHBondContact O-CA 3.45Å; G60-K74 PolarHBondContact O-N 3.27Å
61I68.4Low72.5Confident90 Ų9070.2 Ų70.246%0.46241%0.407SS..EExtended strand (participates in β ladder)trans-76.1141-170.4-44172.7000109.8G63 E71 V72I61-G63 PolarHBondContact O-N 2.82Å; I61-E71 VanDerWaalsContact CD1-OE2 3.29Å; I61-E71 WeakPolarHBondContact CD1-OE2 3.48Å; I61-E71 HydrophobicContact CG2-CB 4.34Å; I61-V72 CarbonylContact C-O 3.58Å; I61-V72 WeakPolarHBondContact CA-O 3.32Å; I61-V72 WeakPolarHBondContact CG2-O 3.44Å
62A68.8Low71.6Confident40 Ų4065.1 Ų65.133%0.33139%0.388SS..EExtended strand (participates in β ladder)trans-79.6-1.817300000113.1V72 K74 V77A62-V72 HydrophobicContact CB-CB 4.38Å; A62-V72 HydrophobicContact CB-CG1 4.05Å; A62-V72 WeakPolarHBondContact CB-O 3.3Å; A62-V72 PolarHBondContact N-O 3.26Å; A62-K74 HydrophobicContact CB-CG 4.44Å; A62-V77 HydrophobicContact CB-CG2 3.82Å
63G61.5Low71.2Confident70 Ų7061.1 Ų61.172%0.72237%0.371SS*.EExtended strand (participates in β ladder)trans8013.9-178.200000114.9I61I61-G63 PolarHBondContact O-N 2.82Å
64T68.1Low71.2Confident80 Ų8065.3 Ų65.349%0.49139%0.389SS..EExtended strand (participates in β ladder)trans-130.8160.9179.2540000111.3V72T64-V72 WeakPolarHBondContact O-CB 3.39Å; T64-V72 WeakPolarHBondContact O-CG2 3.43Å; T64-V72 PolarHBondContact O-N 3.09Å
65M65.8Low71.6Confident126 Ų12663.7 Ų63.762%0.62137%0.371SS*.EExtended strand (participates in β ladder)trans-109.9138.7174.1-72-97-7000108.7G69 E71M65-G69 WeakPolarHBondContact CE-O 3.39Å; M65-E71 HydrophobicContact SD-CG 4.21Å
66N65.8Low72.1Confident17 Ų1756.7 Ų56.79%0.09133%0.334CS..  trans-78.6173.8174.575.915.7000110.9T68 G69 D70 V72 E100N66-T68 PolarHBondContact ND2-OG1 3.32Å; N66-T68 PolarHBondContact O-N 3.16Å; N66-T68 PolarHBondContact OD1-N 3.03Å; N66-T68 PolarHBondContact OD1-OG1 3.48Å; N66-G69 PolarHBondContact O-N 3.42Å; N66-G69 VanDerWaalsContact O-N 3.08Å; N66-G69 PolarHBondContact OD1-N 3Å; N66-G69 VanDerWaalsContact OD1-N 3.13Å; N66-D70 PolarHBondContact N-O 2.87Å; N66-D70 PolarHBondContact OD1-N 3.1Å; N66-V72 HydrophobicContact CB-CG2 3.82Å; N66-E100 PolarHBondContact ND2-OE1 2.99Å
67V70.8Confident72.8Confident63 Ų6357 Ų5738%0.38233%0.33SS..THydrogen-bonded Turntrans-69.5-11-172.3-56.70000113.4K102V67-K102 HydrophobicContact CB-CB 4.29Å; V67-K102 HydrophobicContact CB-CG 4.34Å; V67-K102 VanDerWaalsContact CG1-CA 3.48Å; V67-K102 HydrophobicContact CG1-CB 3.4Å; V67-K102 VanDerWaalsContact CG1-CB 3.4Å; V67-K102 HydrophobicContact CG1-CG 3.89Å
68T57.9Low73.6Confident24 Ų2452.4 Ų52.415%0.14731%0.31CS..THydrogen-bonded Turntrans-105.1-0.1-179.5650000113.4N66 D70 R278 R315N66-T68 PolarHBondContact ND2-OG1 3.32Å; N66-T68 PolarHBondContact O-N 3.16Å; N66-T68 PolarHBondContact OD1-N 3.03Å; N66-T68 PolarHBondContact OD1-OG1 3.48Å; T68-D70 PolarHBondContact OG1-OD2 3.17Å; T68-R278 PolarHBondContact OG1-NH2 3.47Å; T68-R315 PolarHBondContact O-NH2 2.9Å; T68-R315 VanDerWaalsContact O-NH2 3.14Å
69G62.1Low74.9Confident43 Ų4350.8 Ų50.844%0.44330%0.303SS..SBendtrans89.111.217500000115.2M65 N66M65-G69 WeakPolarHBondContact CE-O 3.39Å; N66-G69 PolarHBondContact O-N 3.42Å; N66-G69 VanDerWaalsContact O-N 3.08Å; N66-G69 PolarHBondContact OD1-N 3Å; N66-G69 VanDerWaalsContact OD1-N 3.13Å
70D70.1Confident76.1Confident47 Ų4748.3 Ų48.325%0.25129%0.293SS..PPolyproline II helixtrans-88144.3175.7-62-51.2000110.1N66 T68 V72 R278N66-D70 PolarHBondContact N-O 2.87Å; N66-D70 PolarHBondContact OD1-N 3.1Å; T68-D70 PolarHBondContact OG1-OD2 3.17Å; D70-V72 PolarHBondContact O-N 2.88Å; D70-R278 IonicContact OD2-CZ 3.32Å; D70-R278 IonicContact OD2-NH1 3.57Å; D70-R278 IonicContact OD2-NH2 3.44Å; D70-R278 PolarHBondContact OD2-NH2 3.25Å
71E74.6Confident77.7Confident121 Ų12149.5 Ų49.557%0.56530%0.297SS*.EExtended strand (participates in β ladder)trans-70120.7176.6-73.5-17516700110.4I61 M65 K73I61-E71 VanDerWaalsContact CD1-OE2 3.29Å; I61-E71 WeakPolarHBondContact CD1-OE2 3.48Å; I61-E71 HydrophobicContact CG2-CB 4.34Å; M65-E71 HydrophobicContact SD-CG 4.21Å; E71-K73 PolarHBondContact O-N 2.99Å
72V74.1Confident79.1Confident6 Ų647.2 Ų47.24%0.03629%0.285CS..EExtended strand (participates in β ladder)trans-74.1125.5-176.7-177.80000109.6I61 A62 T64 N66 D70 D76 V77I61-V72 CarbonylContact C-O 3.58Å; I61-V72 WeakPolarHBondContact CA-O 3.32Å; I61-V72 WeakPolarHBondContact CG2-O 3.44Å; A62-V72 HydrophobicContact CB-CB 4.38Å; A62-V72 HydrophobicContact CB-CG1 4.05Å; A62-V72 WeakPolarHBondContact CB-O 3.3Å; A62-V72 PolarHBondContact N-O 3.26Å; T64-V72 WeakPolarHBondContact O-CB 3.39Å; T64-V72 WeakPolarHBondContact O-CG2 3.43Å; T64-V72 PolarHBondContact O-N 3.09Å; N66-V72 HydrophobicContact CB-CG2 3.82Å; D70-V72 PolarHBondContact O-N 2.88Å; V72-D76 HydrophobicContact CG1-CB 4.08Å; V72-V77 HydrophobicContact CG1-CG2 3.53Å
73K81Confident80.5Confident24 Ų2445.3 Ų45.310%0.10427%0.269CS..EExtended strand (participates in β ladder)trans-90.8157172.1-60.3-175.2175.8-164.50110.6G60 E71 L75 D76 V77 S125 S126 I128 D129G60-K73 WeakPolarHBondContact O-CA 3.45Å; E71-K73 PolarHBondContact O-N 2.99Å; K73-L75 PolarHBondContact O-N 3.09Å; K73-D76 WeakPolarHBondContact CA-OD2 3.47Å; K73-D76 VanDerWaalsContact CB-OD2 3.26Å; K73-D76 WeakPolarHBondContact CB-OD2 3.49Å; K73-D76 PolarHBondContact N-OD2 2.97Å; K73-D76 WeakPolarHBondContact O-CB 3.45Å; K73-D76 PolarHBondContact O-N 3.32Å; K73-V77 PolarHBondContact O-N 2.93Å; K73-S125 VanDerWaalsContact CD-O 3.25Å; K73-S125 WeakPolarHBondContact CD-O 3.39Å; K73-S125 WeakPolarHBondContact CE-O 3.47Å; K73-S125 PolarHBondContact NZ-O 2.91Å; K73-S126 PolarHBondContact NZ-O 3.03Å; K73-I128 HydrophobicContact CB-CD1 4.43Å; K73-I128 HydrophobicContact CD-CB 4.27Å; K73-I128 HydrophobicContact CD-CD1 3.89Å; K73-D129 IonicContact NZ-OD2 3.96Å; K73-D129 PolarHBondContact NZ-OD2 3.08Å
74K85.8Confident82.3Confident90 Ų9043 Ų4339%0.39124%0.24SC..Hα-helixtrans-58.7-34-179.9-65.1175.1-177.7168.80112.9H57 G60 A62 D76 V77 L78H57-K74 PolarHBondContact O-NZ 2.72Å; H57-K74 VanDerWaalsContact O-NZ 3.12Å; G60-K74 PolarHBondContact O-N 3.27Å; A62-K74 HydrophobicContact CB-CG 4.44Å; K74-D76 VanDerWaalsContact C-N 3.33Å; K74-V77 PolarHBondContact O-N 3.34Å; K74-L78 PolarHBondContact O-N 2.84Å; K74-L78 VanDerWaalsContact O-N 3.09Å
75L89.3Confident83.7Confident4 Ų443.6 Ų43.62%0.02124%0.24CC..Hα-helixtrans-69.3-29.5175.7-79.8174.1000112.9A49 A53 M58 K73 L78 S79 L122 I128A49-L75 HydrophobicContact CB-CD2 4.22Å; A53-L75 HydrophobicContact CB-CD1 3.74Å; M58-L75 HydrophobicContact CB-CD2 4.23Å; M58-L75 HydrophobicContact CB-CG 4.15Å; M58-L75 HydrophobicContact CE-CD2 3.69Å; M58-L75 HydrophobicContact CE-CG 4.38Å; M58-L75 HydrophobicContact SD-CD2 3.87Å; K73-L75 PolarHBondContact O-N 3.09Å; L75-L78 HydrophobicContact CD2-CD2 4.44Å; L75-L78 PolarHBondContact O-N 3.16Å; L75-S79 VanDerWaalsContact O-CB 3.27Å; L75-S79 WeakPolarHBondContact O-CB 3.4Å; L75-S79 PolarHBondContact O-N 2.76Å; L75-S79 PolarHBondContact O-OG 2.64Å; L75-L122 HydrophobicContact CB-CD2 3.5Å; L75-I128 HydrophobicContact CB-CD1 4.04Å; L75-I128 HydrophobicContact CD1-CD1 4.03Å; L75-I128 HydrophobicContact CD1-CG1 4.48Å; L75-I128 HydrophobicContact CD1-CG2 3.75Å
76D89.1Confident85.2Confident3 Ų340.3 Ų40.32%0.01622%0.224CC..Hα-helixtrans-64.8-46.2174.1-55.6-33.1000109.5V72 K73 K74 L78 S79 N80 L122 S125V72-D76 HydrophobicContact CG1-CB 4.08Å; K73-D76 WeakPolarHBondContact CA-OD2 3.47Å; K73-D76 VanDerWaalsContact CB-OD2 3.26Å; K73-D76 WeakPolarHBondContact CB-OD2 3.49Å; K73-D76 PolarHBondContact N-OD2 2.97Å; K73-D76 WeakPolarHBondContact O-CB 3.45Å; K73-D76 PolarHBondContact O-N 3.32Å; K74-D76 VanDerWaalsContact C-N 3.33Å; D76-L78 PolarHBondContact O-N 2.79Å; D76-S79 WeakPolarHBondContact CA-OG 3.5Å; D76-S79 PolarHBondContact O-N 2.88Å; D76-S79 PolarHBondContact O-OG 3.14Å; D76-N80 VanDerWaalsContact O-CB 3.23Å; D76-N80 WeakPolarHBondContact O-CB 3.27Å; D76-N80 PolarHBondContact O-N 2.8Å; D76-L122 WeakPolarHBondContact OD1-CD2 3.17Å; D76-S125 VanDerWaalsContact OD1-CB 3.27Å; D76-S125 WeakPolarHBondContact OD1-CB 3.2Å
77V91.6Very high86.8Confident65 Ų6539.5 Ų39.539%0.39422%0.22SC..Hα-helixtrans-60.8-44.8176.1-177.70000111.9A62 V72 K73 K74 S81A62-V77 HydrophobicContact CB-CG2 3.82Å; V72-V77 HydrophobicContact CG1-CG2 3.53Å; K73-V77 PolarHBondContact O-N 2.93Å; K74-V77 PolarHBondContact O-N 3.34Å; V77-S81 WeakPolarHBondContact O-CB 3.22Å; V77-S81 PolarHBondContact O-N 3.26Å; V77-S81 VanDerWaalsContact O-N 3.08Å; V77-S81 PolarHBondContact O-OG 2.94Å
78L94.1Very high88Confident58 Ų5838 Ų3830%0.30421%0.209SC..Hα-helixtrans-63.3-52179.1176.166.8000111A49 M58 K74 L75 D76 N80 S81 L82A49-L78 HydrophobicContact CB-CD2 3.57Å; M58-L78 HydrophobicContact CE-CB 4.04Å; M58-L78 HydrophobicContact CE-CD2 3.42Å; M58-L78 VanDerWaalsContact CE-CD2 3.42Å; M58-L78 HydrophobicContact CE-CG 4.28Å; M58-L78 HydrophobicContact SD-CD2 4.18Å; K74-L78 PolarHBondContact O-N 2.84Å; K74-L78 VanDerWaalsContact O-N 3.09Å; L75-L78 HydrophobicContact CD2-CD2 4.44Å; L75-L78 PolarHBondContact O-N 3.16Å; D76-L78 PolarHBondContact O-N 2.79Å; L78-N80 PolarHBondContact O-N 2.55Å; L78-S81 PolarHBondContact O-N 3.44Å; L78-L82 HydrophobicContact CD1-CD1 3.99Å; L78-L82 HydrophobicContact CD1-CG 4.1Å; L78-L82 HydrophobicContact CD2-CD1 4.32Å; L78-L82 HydrophobicContact CG-CD1 3.83Å; L78-L82 HydrophobicContact CG-CG 4.34Å; L78-L82 WeakPolarHBondContact O-CB 3.43Å; L78-L82 WeakPolarHBondContact O-CG 3.46Å; L78-L82 PolarHBondContact O-N 2.74Å
79S96.6Very high89.9Confident2 Ų239.3 Ų39.31%0.01422%0.219CC..Hα-helixtrans-62.1-44.4-176.555.50000111.2L75 D76 S81 L82 V83L75-S79 VanDerWaalsContact O-CB 3.27Å; L75-S79 WeakPolarHBondContact O-CB 3.4Å; L75-S79 PolarHBondContact O-N 2.76Å; L75-S79 PolarHBondContact O-OG 2.64Å; D76-S79 WeakPolarHBondContact CA-OG 3.5Å; D76-S79 PolarHBondContact O-N 2.88Å; D76-S79 PolarHBondContact O-OG 3.14Å; S79-S81 PolarHBondContact O-N 3.35Å; S79-L82 PolarHBondContact O-N 3.11Å; S79-V83 WeakPolarHBondContact O-CG2 3.2Å; S79-V83 PolarHBondContact O-N 2.97Å
80N97.8Very high91.5Very high15 Ų1537.3 Ų37.38%0.0820%0.198CC..Hα-helixtrans-58.1-49.4175.4-172.533.7000111.7D76 L78 L82 V83 I84 T98 E100 N101 P121D76-N80 VanDerWaalsContact O-CB 3.23Å; D76-N80 WeakPolarHBondContact O-CB 3.27Å; D76-N80 PolarHBondContact O-N 2.8Å; L78-N80 PolarHBondContact O-N 2.55Å; N80-L82 VanDerWaalsContact C-N 3.35Å; N80-L82 PolarHBondContact O-N 3.31Å; N80-V83 PolarHBondContact O-N 3.07Å; N80-I84 VanDerWaalsContact O-CG1 3.3Å; N80-I84 WeakPolarHBondContact O-CG1 3.41Å; N80-I84 PolarHBondContact O-N 3.44Å; N80-I84 VanDerWaalsContact OD1-CD1 3.32Å; N80-I84 WeakPolarHBondContact OD1-CD1 3.13Å; N80-T98 WeakPolarHBondContact OD1-CG2 3.37Å; N80-T98 PolarHBondContact OD1-OG1 2.6Å; N80-E100 HydrophobicContact CB-CB 4.11Å; N80-E100 HydrophobicContact CB-CG 4.21Å; N80-E100 WeakPolarHBondContact ND2-CB 3.05Å; N80-N101 PolarHBondContact ND2-OD1 2.88Å; N80-P121 HydrophobicContact CB-CB 4.19Å; N80-P121 HydrophobicContact CB-CG 3.95Å
81S97.7Very high92.8Very high52 Ų5241.1 Ų41.136%0.36421%0.209SC..Hα-helixtrans-61.1-41.8179.3-59.20000112.4V77 L78 S79 N85V77-S81 WeakPolarHBondContact O-CB 3.22Å; V77-S81 PolarHBondContact O-N 3.26Å; V77-S81 VanDerWaalsContact O-N 3.08Å; V77-S81 PolarHBondContact O-OG 2.94Å; L78-S81 PolarHBondContact O-N 3.44Å; S79-S81 PolarHBondContact O-N 3.35Å; S81-N85 VanDerWaalsContact O-CB 3.3Å; S81-N85 WeakPolarHBondContact O-CB 3.34Å; S81-N85 PolarHBondContact O-N 2.76Å; S81-N85 PolarHBondContact O-ND2 2.97Å; S81-N85 VanDerWaalsContact O-ND2 3.08Å
82L98.3Very high93.9Very high41 Ų4135.3 Ų35.322%0.21518%0.183CC..Hα-helixtrans-62.7-47.3177.6-74.8171.7000111.5A45 I46 L78 S79 N80 M86A45-L82 HydrophobicContact CB-CD1 3.88Å; A45-L82 HydrophobicContact CB-CD2 4.29Å; I46-L82 HydrophobicContact CG1-CD1 3.91Å; L78-L82 HydrophobicContact CD1-CD1 3.99Å; L78-L82 HydrophobicContact CD1-CG 4.1Å; L78-L82 HydrophobicContact CD2-CD1 4.32Å; L78-L82 HydrophobicContact CG-CD1 3.83Å; L78-L82 HydrophobicContact CG-CG 4.34Å; L78-L82 WeakPolarHBondContact O-CB 3.43Å; L78-L82 WeakPolarHBondContact O-CG 3.46Å; L78-L82 PolarHBondContact O-N 2.74Å; S79-L82 PolarHBondContact O-N 3.11Å; N80-L82 VanDerWaalsContact C-N 3.35Å; N80-L82 PolarHBondContact O-N 3.31Å; L82-M86 WeakPolarHBondContact O-CB 3.48Å; L82-M86 VanDerWaalsContact O-CG 3.24Å; L82-M86 WeakPolarHBondContact O-CG 3.25Å; L82-M86 PolarHBondContact O-N 3.33Å
83V98.6Very high95Very high0 Ų035 Ų350%018%0.181CC..Hα-helixtrans-64.4-50-179.9177.80000110.3M39 A42 I46 S79 N80 N85 M86 L87 F119M39-V83 HydrophobicContact CE-CG1 4.08Å; M39-V83 HydrophobicContact SD-CG1 4.24Å; A42-V83 HydrophobicContact CB-CG2 4.01Å; I46-V83 HydrophobicContact CD1-CG2 3.92Å; S79-V83 WeakPolarHBondContact O-CG2 3.2Å; S79-V83 PolarHBondContact O-N 2.97Å; N80-V83 PolarHBondContact O-N 3.07Å; V83-N85 VanDerWaalsContact C-N 3.33Å; V83-N85 PolarHBondContact O-N 3.46Å; V83-M86 PolarHBondContact O-N 2.9Å; V83-L87 HydrophobicContact CG1-CD1 3.52Å; V83-L87 HydrophobicContact CG1-CG 3.94Å; V83-L87 WeakPolarHBondContact O-CB 3.41Å; V83-L87 WeakPolarHBondContact O-CG 3.46Å; V83-L87 PolarHBondContact O-N 2.64Å; V83-F119 HydrophobicContact CB-CD2 4.19Å; V83-F119 HydrophobicContact CB-CE2 3.76Å; V83-F119 HydrophobicContact CB-CZ 4.1Å; V83-F119 HydrophobicContact CG1-CD1 4.03Å; V83-F119 HydrophobicContact CG1-CD2 3.65Å; V83-F119 HydrophobicContact CG1-CE1 3.87Å; V83-F119 HydrophobicContact CG1-CE2 3.51Å; V83-F119 HydrophobicContact CG1-CG 3.91Å; V83-F119 HydrophobicContact CG1-CZ 3.62Å; V83-F119 HydrophobicContact CG2-CE2 4.48Å
84I98.6Very high95.9Very high21 Ų2134 Ų3411%0.10818%0.177CC..Hα-helixtrans-54.5-50.1178.8-67.4165.8000110.9N80 M86 L87 Q88 L96 I105 F119N80-I84 VanDerWaalsContact O-CG1 3.3Å; N80-I84 WeakPolarHBondContact O-CG1 3.41Å; N80-I84 PolarHBondContact O-N 3.44Å; N80-I84 VanDerWaalsContact OD1-CD1 3.32Å; N80-I84 WeakPolarHBondContact OD1-CD1 3.13Å; I84-M86 PolarHBondContact O-N 3.16Å; I84-L87 PolarHBondContact O-N 3.32Å; I84-Q88 HydrophobicContact CG2-CG 4.4Å; I84-Q88 WeakPolarHBondContact O-CB 3.48Å; I84-Q88 WeakPolarHBondContact O-CG 3.45Å; I84-Q88 PolarHBondContact O-N 2.99Å; I84-L96 HydrophobicContact CG2-CD1 4.29Å; I84-I105 HydrophobicContact CD1-CD1 3.46Å; I84-I105 VanDerWaalsContact CD1-CD1 3.46Å; I84-I105 HydrophobicContact CG1-CD1 3.86Å; I84-I105 HydrophobicContact CG2-CD1 4.38Å; I84-F119 HydrophobicContact CG1-CZ 3.9Å
85N98.2Very high96.5Very high93 Ų9329.7 Ų29.750%0.49716%0.158SC..Hα-helixtrans-64-43.2-177.4-72-24.7000112.4S81 V83 S89S81-N85 VanDerWaalsContact O-CB 3.3Å; S81-N85 WeakPolarHBondContact O-CB 3.34Å; S81-N85 PolarHBondContact O-N 2.76Å; S81-N85 PolarHBondContact O-ND2 2.97Å; S81-N85 VanDerWaalsContact O-ND2 3.08Å; V83-N85 VanDerWaalsContact C-N 3.33Å; V83-N85 PolarHBondContact O-N 3.46Å; N85-S89 WeakPolarHBondContact O-CB 3.42Å; N85-S89 PolarHBondContact O-N 3.37Å; N85-S89 VanDerWaalsContact O-N 3.08Å; N85-S89 PolarHBondContact O-OG 2.94Å
86M98.1Very high96.9Very high58 Ų5829.5 Ų29.529%0.28616%0.157SC..Hα-helixtrans-67.8-38.7178.5-70.4-61.3109.400112.1S38 T41 A42 L82 V83 I84 S89 S90S38-M86 VanDerWaalsContact CB-O 3.26Å; S38-M86 WeakPolarHBondContact CB-O 3.46Å; S38-M86 PolarHBondContact OG-O 2.91Å; T41-M86 HydrophobicContact CG2-SD 3.96Å; A42-M86 HydrophobicContact CB-CB 4.1Å; A42-M86 HydrophobicContact CB-CG 3.92Å; L82-M86 WeakPolarHBondContact O-CB 3.48Å; L82-M86 VanDerWaalsContact O-CG 3.24Å; L82-M86 WeakPolarHBondContact O-CG 3.25Å; L82-M86 PolarHBondContact O-N 3.33Å; V83-M86 PolarHBondContact O-N 2.9Å; I84-M86 PolarHBondContact O-N 3.16Å; M86-S89 WeakPolarHBondContact CA-OG 3.4Å; M86-S89 PolarHBondContact O-OG 3.36Å; M86-S90 PolarHBondContact O-N 2.87Å
87L98.3Very high97.4Very high0 Ų029.4 Ų29.40%016%0.156CC..Hα-helixtrans-71.9-43179.2-64.3-176.5000112L35 M39 V83 I84 S89 S90 T93 L96 V117 F119L35-L87 HydrophobicContact CD1-CD2 3.58Å; M39-L87 HydrophobicContact CB-CD2 4.29Å; M39-L87 HydrophobicContact CE-CD1 3.94Å; M39-L87 HydrophobicContact CE-CD2 3.94Å; M39-L87 HydrophobicContact CE-CG 4.41Å; V83-L87 HydrophobicContact CG1-CD1 3.52Å; V83-L87 HydrophobicContact CG1-CG 3.94Å; V83-L87 WeakPolarHBondContact O-CB 3.41Å; V83-L87 WeakPolarHBondContact O-CG 3.46Å; V83-L87 PolarHBondContact O-N 2.64Å; I84-L87 PolarHBondContact O-N 3.32Å; L87-S89 VanDerWaalsContact C-N 3.32Å; L87-S89 PolarHBondContact O-N 3.48Å; L87-S90 VanDerWaalsContact O-CB 3.23Å; L87-S90 WeakPolarHBondContact O-CB 3.41Å; L87-S90 PolarHBondContact O-N 3.37Å; L87-S90 VanDerWaalsContact O-N 3.12Å; L87-S90 PolarHBondContact O-OG 3.29Å; L87-T93 HydrophobicContact CB-CG2 4.14Å; L87-T93 PolarHBondContact O-OG1 2.83Å; L87-L96 HydrophobicContact CB-CD1 4.21Å; L87-L96 HydrophobicContact CB-CD2 4.02Å; L87-L96 HydrophobicContact CD1-CD2 3.84Å; L87-V117 HydrophobicContact CD1-CB 4.08Å; L87-V117 HydrophobicContact CD1-CG1 3.8Å; L87-V117 HydrophobicContact CD1-CG2 4.35Å; L87-F119 HydrophobicContact CD1-CD1 4.16Å; L87-F119 HydrophobicContact CD1-CE1 4.06Å
88Q97.3Very high97.7Very high32 Ų3226.4 Ų26.415%0.1514%0.138CC..Hα-helixtrans-64.3-37.7175.4-71.2-175.3-22.700112I84 S90 L96 T107 K111I84-Q88 HydrophobicContact CG2-CG 4.4Å; I84-Q88 WeakPolarHBondContact O-CB 3.48Å; I84-Q88 WeakPolarHBondContact O-CG 3.45Å; I84-Q88 PolarHBondContact O-N 2.99Å; Q88-S90 PolarHBondContact O-N 3.43Å; Q88-L96 HydrophobicContact CG-CD1 4.03Å; Q88-T107 HydrophobicContact CG-CG2 4.35Å; Q88-K111 WeakPolarHBondContact O-CB 3.16Å
89S96.6Very high97.8Very high51 Ų5124.3 Ų24.336%0.35713%0.127SC..THydrogen-bonded Turntrans-76.6-2.9176.658.80000114.2N85 M86 L87 Y91N85-S89 WeakPolarHBondContact O-CB 3.42Å; N85-S89 PolarHBondContact O-N 3.37Å; N85-S89 VanDerWaalsContact O-N 3.08Å; N85-S89 PolarHBondContact O-OG 2.94Å; M86-S89 WeakPolarHBondContact CA-OG 3.4Å; M86-S89 PolarHBondContact O-OG 3.36Å; L87-S89 VanDerWaalsContact C-N 3.32Å; L87-S89 PolarHBondContact O-N 3.48Å; S89-Y91 VanDerWaalsContact C-N 3.25Å; S89-Y91 WeakPolarHBondContact O-CD2 3.45Å; S89-Y91 VanDerWaalsContact O-CE2 3.31Å; S89-Y91 WeakPolarHBondContact O-CE2 3.29Å; S89-Y91 PolarHBondContact O-N 3.03Å
90S97.1Very high97.7Very high0 Ų025.7 Ų25.70%013%0.133CC..THydrogen-bonded Turntrans-75.9-11174.278.20000113.6Q34 S38 M86 L87 Q88 S92Q34-S90 WeakPolarHBondContact CG-O 3.33Å; Q34-S90 PolarHBondContact NE2-O 3.01Å; Q34-S90 PolarHBondContact OE1-O 3.26Å; S38-S90 VanDerWaalsContact OG-CB 3.24Å; S38-S90 WeakPolarHBondContact OG-CB 3.22Å; M86-S90 PolarHBondContact O-N 2.87Å; L87-S90 VanDerWaalsContact O-CB 3.23Å; L87-S90 WeakPolarHBondContact O-CB 3.41Å; L87-S90 PolarHBondContact O-N 3.37Å; L87-S90 VanDerWaalsContact O-N 3.12Å; L87-S90 PolarHBondContact O-OG 3.29Å; Q88-S90 PolarHBondContact O-N 3.43Å; S90-S92 PolarHBondContact O-N 3.29Å; S90-S92 PolarHBondContact O-OG 2.91Å; S90-S92 WeakPolarHBondContact OG-CB 3.45Å; S90-S92 PolarHBondContact OG-N 3.31Å
91Y97Very high97.6Very high127 Ų12727.4 Ų27.450%0.49814%0.142SC..THydrogen-bonded Turntrans53.819.3-172.8-60.4-91.8000114.3S89 K111 G113S89-Y91 VanDerWaalsContact C-N 3.25Å; S89-Y91 WeakPolarHBondContact O-CD2 3.45Å; S89-Y91 VanDerWaalsContact O-CE2 3.31Å; S89-Y91 WeakPolarHBondContact O-CE2 3.29Å; S89-Y91 PolarHBondContact O-N 3.03Å; Y91-K111 WeakPolarHBondContact CA-O 3.32Å; Y91-K111 HydrophobicContact CD1-CB 4.33Å; Y91-K111 HydrophobicContact CD1-CG 4.38Å; Y91-K111 HydrophobicContact CE1-CB 4.4Å; Y91-K111 HydrophobicContact CE1-CG 3.95Å; Y91-G113 WeakPolarHBondContact O-CA 3.14Å; Y91-G113 PolarHBondContact O-N 3.47Å
92S97.3Very high97.4Very high0 Ų032.2 Ų32.20%016%0.156CC..  trans-118.5-13.7-170-600000113E31 S90 G113 K114 Y115E31-S92 PolarHBondContact O-OG 3.33Å; E31-S92 VanDerWaalsContact O-OG 3.09Å; S90-S92 PolarHBondContact O-N 3.29Å; S90-S92 PolarHBondContact O-OG 2.91Å; S90-S92 WeakPolarHBondContact OG-CB 3.45Å; S90-S92 PolarHBondContact OG-N 3.31Å; S92-G113 VanDerWaalsContact C-CA 3.43Å; S92-G113 CarbonylContact O-C 3.58Å; S92-G113 WeakPolarHBondContact O-CA 3.29Å; S92-K114 PolarHBondContact O-N 2.69Å; S92-K114 VanDerWaalsContact O-N 3.15Å; S92-Y115 WeakPolarHBondContact O-CB 3.45Å; S92-Y115 WeakPolarHBondContact O-CD2 3.45Å; S92-Y115 PolarHBondContact O-N 2.9Å
93T97.9Very high97.4Very high0 Ų037.2 Ų37.20%018%0.179CC..EExtended strand (participates in β ladder)trans-103.1152.1-176.763.60000113.1L35 L87 L96 T107 R112 G113 Y115 V117L35-T93 HydrophobicContact CD1-CG2 3.41Å; L35-T93 VanDerWaalsContact CD1-CG2 3.41Å; L35-T93 HydrophobicContact CD2-CG2 4.47Å; L87-T93 HydrophobicContact CB-CG2 4.14Å; L87-T93 PolarHBondContact O-OG1 2.83Å; T93-L96 HydrophobicContact CG2-CD2 3.88Å; T93-T107 WeakPolarHBondContact O-CB 3.49Å; T93-T107 WeakPolarHBondContact O-CG2 3.17Å; T93-T107 PolarHBondContact O-OG1 2.83Å; T93-T107 PolarHBondContact OG1-OG1 2.84Å; T93-R112 WeakPolarHBondContact O-CA 3.48Å; T93-G113 PolarHBondContact O-N 2.83Å; T93-Y115 CarbonylContact C-O 3.57Å; T93-Y115 WeakPolarHBondContact CA-O 3.42Å; T93-V117 HydrophobicContact CG2-CG2 3.71Å
94C98Very high97.4Very high2 Ų238 Ų381%0.01419%0.185CC..EExtended strand (participates in β ladder)trans-119-35.2170.754.30000112.8T107 G113 Y115 P149C94-T107 PolarHBondContact O-N 3.01Å; C94-T107 PolarHBondContact O-OG1 2.9Å; C94-G113 WeakPolarHBondContact CB-O 3.36Å; C94-Y115 PolarHBondContact N-O 2.65Å; C94-Y115 PolarHBondContact SG-O 2.99Å; C94-P149 HydrophobicContact CB-CB 3.97Å; C94-P149 HydrophobicContact CB-CG 3.8Å
95V98.6Very high97.4Very high0 Ų038.5 Ų38.50%019%0.188CC..EExtended strand (participates in β ladder)trans-135.3134.5179.6-175.80000108.9V97 A104 I105 I106 V116 V117 P149 D153V95-V97 HydrophobicContact CG1-CG2 4.43Å; V95-A104 HydrophobicContact CG1-CB 3.87Å; V95-I105 WeakPolarHBondContact CA-O 3.45Å; V95-I106 HydrophobicContact CG1-CD1 4.28Å; V95-I106 HydrophobicContact CG2-CD1 4.03Å; V95-V116 HydrophobicContact CB-CB 4.45Å; V95-V116 HydrophobicContact CB-CG1 3.99Å; V95-V116 HydrophobicContact CB-CG2 4.04Å; V95-V116 HydrophobicContact CG1-CG1 4.32Å; V95-V116 HydrophobicContact CG2-CG2 4.35Å; V95-V116 WeakPolarHBondContact O-CA 3.5Å; V95-V117 PolarHBondContact O-N 3.19Å; V95-P149 HydrophobicContact CG2-CB 3.68Å; V95-D153 HydrophobicContact CG2-CB 4.29Å
96L98.8Very high97.4Very high0 Ų037.1 Ų37.10%018%0.18CC..EExtended strand (participates in β ladder)trans-118.2136.8172.2-49.6177000109.4I84 L87 Q88 T93 A104 I105 V117 F119I84-L96 HydrophobicContact CG2-CD1 4.29Å; L87-L96 HydrophobicContact CB-CD1 4.21Å; L87-L96 HydrophobicContact CB-CD2 4.02Å; L87-L96 HydrophobicContact CD1-CD2 3.84Å; Q88-L96 HydrophobicContact CG-CD1 4.03Å; T93-L96 HydrophobicContact CG2-CD2 3.88Å; L96-A104 CarbonylContact O-C 3.6Å; L96-A104 WeakPolarHBondContact O-CA 3.4Å; L96-I105 HydrophobicContact CB-CB 4.16Å; L96-I105 PolarHBondContact N-O 3.23Å; L96-I105 PolarHBondContact O-N 3.34Å; L96-V117 CarbonylContact C-O 3.49Å; L96-V117 WeakPolarHBondContact CA-O 3.5Å; L96-V117 HydrophobicContact CD2-CB 3.89Å; L96-V117 HydrophobicContact CD2-CG2 4.19Å; L96-F119 HydrophobicContact CB-CE1 4.2Å
97V98.8Very high97.4Very high1 Ų134.4 Ų34.41%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-125.6130.6172.9-178.50000107.9V95 A104 V117 C118 F119 A154 L280 Y281 L312V95-V97 HydrophobicContact CG1-CG2 4.43Å; V97-A104 HydrophobicContact CG2-CB 4.1Å; V97-V117 PolarHBondContact N-O 2.94Å; V97-C118 HydrophobicContact CB-CB 4.41Å; V97-C118 CarbonylContact O-C 3.44Å; V97-C118 VanDerWaalsContact O-CA 3.27Å; V97-C118 WeakPolarHBondContact O-CA 3.42Å; V97-F119 PolarHBondContact O-N 2.89Å; V97-A154 HydrophobicContact CG2-CB 3.46Å; V97-A154 VanDerWaalsContact CG2-CB 3.46Å; V97-L280 HydrophobicContact CG1-CD1 4.38Å; V97-Y281 HydrophobicContact CG1-CD1 4.32Å; V97-Y281 HydrophobicContact CG1-CE1 4.47Å; V97-L312 HydrophobicContact CG1-CB 4.2Å; V97-L312 HydrophobicContact CG1-CD2 4.28Å; V97-L312 HydrophobicContact CG2-CD2 3.96Å
98T98.4Very high97.3Very high1 Ų136.9 Ų36.91%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-141150.5-178179.90000111.7N80 E100 N101 I105 F119 P121N80-T98 WeakPolarHBondContact OD1-CG2 3.37Å; N80-T98 PolarHBondContact OD1-OG1 2.6Å; T98-E100 PolarHBondContact O-N 3.18Å; T98-N101 HydrophobicContact CG2-CB 3.6Å; T98-N101 WeakPolarHBondContact CG2-OD1 3.21Å; T98-N101 PolarHBondContact O-N 3.24Å; T98-N101 VanDerWaalsContact O-O 3.12Å; T98-I105 HydrophobicContact CG2-CD1 4.5Å; T98-F119 VanDerWaalsContact CA-O 3.23Å; T98-F119 WeakPolarHBondContact CA-O 3.41Å; T98-F119 VanDerWaalsContact CB-CE2 3.46Å; T98-F119 VanDerWaalsContact CB-CZ 3.44Å; T98-F119 HydrophobicContact CG2-CE2 4.29Å; T98-F119 HydrophobicContact CG2-CZ 3.99Å; T98-F119 WeakPolarHBondContact OG1-CE2 3.34Å; T98-F119 PolarHBondContact OG1-O 3.38Å; T98-P121 WeakPolarHBondContact OG1-CD 3.42Å
99E96.1Very high97.2Very high15 Ų1542.3 Ų42.37%0.0721%0.206CC..THydrogen-bonded Turntrans-53-35.2176.1-171.5175.5-160.800112.7N101 F119 R278 Y281E99-N101 PolarHBondContact O-N 2.91Å; E99-F119 PolarHBondContact N-O 3.35Å; E99-R278 IonicContact OE1-CZ 3.49Å; E99-R278 IonicContact OE1-NE 3.88Å; E99-R278 IonicContact OE1-NH1 2.81Å; E99-R278 PolarHBondContact OE1-NH1 3.14Å; E99-R278 IonicContact OE1-NH2 2.65Å; E99-R278 PolarHBondContact OE1-NH2 2.87Å; E99-Y281 HydrophobicContact CB-CD2 4.11Å; E99-Y281 HydrophobicContact CB-CE2 3.51Å; E99-Y281 HydrophobicContact CG-CE2 3.8Å
100E94.3Very high97.2Very high30 Ų3045.2 Ų45.214%0.1422%0.217CC..THydrogen-bonded Turntrans-85-5.2-171.8-64.3-54.9121.100114.1N66 N80 T98 P121N66-E100 PolarHBondContact ND2-OE1 2.99Å; N80-E100 HydrophobicContact CB-CB 4.11Å; N80-E100 HydrophobicContact CB-CG 4.21Å; N80-E100 WeakPolarHBondContact ND2-CB 3.05Å; T98-E100 PolarHBondContact O-N 3.18Å; E100-P121 HydrophobicContact CG-CG 3.83Å
101N95.8Very high97.2Very high51 Ų5148.4 Ų48.427%0.27323%0.231SC..  trans-124.5134.9-180-71.777.5000111.5N80 T98 E99 I105 H313N80-N101 PolarHBondContact ND2-OD1 2.88Å; T98-N101 HydrophobicContact CG2-CB 3.6Å; T98-N101 WeakPolarHBondContact CG2-OD1 3.21Å; T98-N101 PolarHBondContact O-N 3.24Å; T98-N101 VanDerWaalsContact O-O 3.12Å; E99-N101 PolarHBondContact O-N 2.91Å; N101-I105 HydrophobicContact CB-CD1 4.48Å; N101-H313 PolarHBondContact O-CE1 3.45Å; N101-H313 PolarHBondContact O-NE2 2.76Å
102K94.6Very high97.1Very high153 Ų15345.8 Ų45.867%0.66522%0.22SC*.SBendtrans-70.3-37.2-177.2-165.6178.9173.1-173.50113.7V67 H313V67-K102 HydrophobicContact CB-CB 4.29Å; V67-K102 HydrophobicContact CB-CG 4.34Å; V67-K102 VanDerWaalsContact CG1-CA 3.48Å; V67-K102 HydrophobicContact CG1-CB 3.4Å; V67-K102 VanDerWaalsContact CG1-CB 3.4Å; V67-K102 HydrophobicContact CG1-CG 3.89Å; K102-H313 PolarHBondContact O-NE2 3.31Å; K102-H313 VanDerWaalsContact O-NE2 3.15Å
103E97.6Very high97Very high146 Ų14646.7 Ų46.768%0.68223%0.23SC*.SBendtrans-111.5148.8-174.2-65177.3-176.900108.2I105E103-I105 PolarHBondContact O-N 3.49Å
104A98.1Very high96.9Very high17 Ų1749.4 Ų49.414%0.1424%0.242CC..  trans-62.1135.7171.100000110.1V95 L96 V97 I106 E151 L312V95-A104 HydrophobicContact CG1-CB 3.87Å; L96-A104 CarbonylContact O-C 3.6Å; L96-A104 WeakPolarHBondContact O-CA 3.4Å; V97-A104 HydrophobicContact CG2-CB 4.1Å; A104-I106 PolarHBondContact O-N 3.18Å; A104-E151 HydrophobicContact CB-CB 3.85Å; A104-L312 HydrophobicContact CB-CD1 3.99Å
105I98.6Very high97Very high32 Ų3250.5 Ų50.516%0.16425%0.246CC..EExtended strand (participates in β ladder)trans-88114.3177.8-56.1166.2000108I84 V95 L96 T98 N101 E103I84-I105 HydrophobicContact CD1-CD1 3.46Å; I84-I105 VanDerWaalsContact CD1-CD1 3.46Å; I84-I105 HydrophobicContact CG1-CD1 3.86Å; I84-I105 HydrophobicContact CG2-CD1 4.38Å; V95-I105 WeakPolarHBondContact CA-O 3.45Å; L96-I105 HydrophobicContact CB-CB 4.16Å; L96-I105 PolarHBondContact N-O 3.23Å; L96-I105 PolarHBondContact O-N 3.34Å; T98-I105 HydrophobicContact CG2-CD1 4.5Å; N101-I105 HydrophobicContact CB-CD1 4.48Å; E103-I105 PolarHBondContact O-N 3.49Å
106I98.4Very high97Very high64 Ų6450.5 Ų50.533%0.32825%0.246SC..EExtended strand (participates in β ladder)trans-82.5122.7174.7-51-53.1000109.1V95 A104 P149V95-I106 HydrophobicContact CG1-CD1 4.28Å; V95-I106 HydrophobicContact CG2-CD1 4.03Å; A104-I106 PolarHBondContact O-N 3.18Å; I106-P149 HydrophobicContact CG2-CB 4.31Å
107T97.6Very high97Very high1 Ų150.5 Ų50.51%0.00625%0.246CC..PPolyproline II helixtrans-65.4135.7179.9-57.90000109.9Q88 T93 C94 K111 R112Q88-T107 HydrophobicContact CG-CG2 4.35Å; T93-T107 WeakPolarHBondContact O-CB 3.49Å; T93-T107 WeakPolarHBondContact O-CG2 3.17Å; T93-T107 PolarHBondContact O-OG1 2.83Å; T93-T107 PolarHBondContact OG1-OG1 2.84Å; C94-T107 PolarHBondContact O-N 3.01Å; C94-T107 PolarHBondContact O-OG1 2.9Å; T107-K111 HydrophobicContact CG2-CB 3.91Å; T107-K111 WeakPolarHBondContact CG2-O 3.45Å; T107-R112 HydrophobicContact CG2-CG 4.27Å; T107-R112 WeakPolarHBondContact O-CG 3.28Å; T107-R112 PolarHBondContact O-NE 3.09Å
108P96.8Very high97Very high52 Ų5250.5 Ų50.534%0.33825%0.246SC..PPolyproline II helixtrans-55.9144.9176.7-27.936.4000113.2D110 K111 R112P108-D110 VanDerWaalsContact C-N 3.26Å; P108-D110 VanDerWaalsContact CB-OD1 3.27Å; P108-D110 WeakPolarHBondContact CB-OD1 3.22Å; P108-D110 PolarHBondContact O-N 2.94Å; P108-D110 VanDerWaalsContact O-N 3.14Å; P108-K111 PolarHBondContact O-N 3.13Å; P108-R112 WeakPolarHBondContact O-CG 3.46Å; P108-R112 PolarHBondContact O-N 3.4Å
109K95.7Very high97Very high145 Ų14550.4 Ų50.463%0.6325%0.245SC*.G310 helixtrans-53.2-38.4-171.3-77.1-168.9173.1-154.10114.2K111 E148K109-K111 PolarHBondContact O-N 3.4Å; K109-E148 WeakPolarHBondContact CE-OE1 3.23Å; K109-E148 IonicContact NZ-OE1 2.88Å; K109-E148 PolarHBondContact NZ-OE1 2.91Å; K109-E148 IonicContact NZ-OE2 3.35Å
110D96.3Very high97.1Very high113 Ų11349.8 Ų49.860%0.60424%0.243SC*.G310 helixtrans-71.2-13.5179.561-54.1000114.1P108P108-D110 VanDerWaalsContact C-N 3.26Å; P108-D110 VanDerWaalsContact CB-OD1 3.27Å; P108-D110 WeakPolarHBondContact CB-OD1 3.22Å; P108-D110 PolarHBondContact O-N 2.94Å; P108-D110 VanDerWaalsContact O-N 3.14Å
111K95.7Very high97.3Very high66 Ų6648.4 Ų48.429%0.28724%0.236SC..G310 helixtrans-119.18.2-177.2-60.7-176-174.8175.50113.8Q88 Y91 T107 P108 K109Q88-K111 WeakPolarHBondContact O-CB 3.16Å; Y91-K111 WeakPolarHBondContact CA-O 3.32Å; Y91-K111 HydrophobicContact CD1-CB 4.33Å; Y91-K111 HydrophobicContact CD1-CG 4.38Å; Y91-K111 HydrophobicContact CE1-CB 4.4Å; Y91-K111 HydrophobicContact CE1-CG 3.95Å; T107-K111 HydrophobicContact CG2-CB 3.91Å; T107-K111 WeakPolarHBondContact CG2-O 3.45Å; P108-K111 PolarHBondContact O-N 3.13Å; K109-K111 PolarHBondContact O-N 3.4Å
112R95.6Very high97.3Very high72 Ų7246.1 Ų46.127%0.27222%0.224SC..  trans-76134.8-173.8-79.7173.2-169.4-176.8-5.4112.3T93 T107 P108 E148T93-R112 WeakPolarHBondContact O-CA 3.48Å; T107-R112 HydrophobicContact CG2-CG 4.27Å; T107-R112 WeakPolarHBondContact O-CG 3.28Å; T107-R112 PolarHBondContact O-NE 3.09Å; P108-R112 WeakPolarHBondContact O-CG 3.46Å; P108-R112 PolarHBondContact O-N 3.4Å; R112-E148 IonicContact CZ-OE2 3.7Å; R112-E148 IonicContact NH1-OE1 3.53Å; R112-E148 IonicContact NH1-OE2 2.76Å; R112-E148 PolarHBondContact NH1-OE2 3.48Å; R112-E148 IonicContact NH2-OE2 3.82Å; R112-E148 PolarHBondContact NH2-OE2 3.45Å
113G96.1Very high97.4Very high20 Ų2039.4 Ų39.421%0.20620%0.195CC..  trans-118.1-155.4157.800000111.7Y91 S92 T93 C94Y91-G113 WeakPolarHBondContact O-CA 3.14Å; Y91-G113 PolarHBondContact O-N 3.47Å; S92-G113 VanDerWaalsContact C-CA 3.43Å; S92-G113 CarbonylContact O-C 3.58Å; S92-G113 WeakPolarHBondContact O-CA 3.29Å; T93-G113 PolarHBondContact O-N 2.83Å; C94-G113 WeakPolarHBondContact CB-O 3.36Å
114K96.3Very high97.2Very high56 Ų5632.9 Ų32.924%0.24317%0.167CC..SBendtrans-1053.3-171.870.6-160.4169.1-152.90115.7T29 E31 S92 K143T29-K114 PolarHBondContact OG1-NZ 3.24Å; E31-K114 VanDerWaalsContact CD-NZ 3.26Å; E31-K114 IonicContact OE1-NZ 3.57Å; E31-K114 PolarHBondContact OE1-NZ 2.75Å; E31-K114 VanDerWaalsContact OE2-CD 3.24Å; E31-K114 WeakPolarHBondContact OE2-CD 3.42Å; E31-K114 WeakPolarHBondContact OE2-CE 3.3Å; E31-K114 WeakPolarHBondContact OE2-CG 3.48Å; E31-K114 IonicContact OE2-NZ 3.53Å; E31-K114 PolarHBondContact OE2-NZ 3.35Å; S92-K114 PolarHBondContact O-N 2.69Å; S92-K114 VanDerWaalsContact O-N 3.15Å; K114-K143 WeakPolarHBondContact O-CB 3.35Å; K114-K143 PolarHBondContact O-N 3.15Å
115Y98.4Very high96.5Very high26 Ų2633.6 Ų33.610%0.10217%0.171CC..EExtended strand (participates in β ladder)trans-102.5141.6-175.1-65.3-71.7000113.1E31 L32 L35 S92 T93 C94 I140 Y141 V162E31-Y115 HydrophobicContact CB-CD2 4.5Å; E31-Y115 HydrophobicContact CB-CE2 3.82Å; L32-Y115 HydrophobicContact CB-CE2 4.08Å; L32-Y115 HydrophobicContact CD1-CE1 4.33Å; L35-Y115 HydrophobicContact CD2-CD2 3.91Å; L35-Y115 HydrophobicContact CD2-CG 3.81Å; S92-Y115 WeakPolarHBondContact O-CB 3.45Å; S92-Y115 WeakPolarHBondContact O-CD2 3.45Å; S92-Y115 PolarHBondContact O-N 2.9Å; T93-Y115 CarbonylContact C-O 3.57Å; T93-Y115 WeakPolarHBondContact CA-O 3.42Å; C94-Y115 PolarHBondContact N-O 2.65Å; C94-Y115 PolarHBondContact SG-O 2.99Å; Y115-I140 HydrophobicContact CD1-CG2 3.71Å; Y115-I140 HydrophobicContact CG-CG2 4.06Å; Y115-Y141 CarbonylContact C-O 3.58Å; Y115-Y141 WeakPolarHBondContact CA-O 3.12Å; Y115-Y141 WeakPolarHBondContact CD1-O 3.22Å; Y115-V162 HydrophobicContact CD1-CG2 4.17Å; Y115-V162 HydrophobicContact CE1-CG2 3.97Å
116V98.8Very high95.8Very high0 Ų036 Ų360%019%0.191CC..EExtended strand (participates in β ladder)trans-101.7134.9167.7178.20000107.7V95 I140 Y141 D153 A154V95-V116 HydrophobicContact CB-CB 4.45Å; V95-V116 HydrophobicContact CB-CG1 3.99Å; V95-V116 HydrophobicContact CB-CG2 4.04Å; V95-V116 HydrophobicContact CG1-CG1 4.32Å; V95-V116 HydrophobicContact CG2-CG2 4.35Å; V95-V116 WeakPolarHBondContact O-CA 3.5Å; V116-I140 WeakPolarHBondContact O-CA 3.43Å; V116-Y141 PolarHBondContact N-O 3.03Å; V116-Y141 PolarHBondContact O-N 3.18Å; V116-D153 HydrophobicContact CG2-CB 3.94Å; V116-A154 HydrophobicContact CG1-CB 3.78Å
117V98.9Very high95.5Very high0 Ų034 Ų340%018%0.181CC..EExtended strand (participates in β ladder)trans-124.8121.2-179.5-170.50000110.1L35 M39 L87 T93 V95 L96 V97 F119 A139 I140L35-V117 HydrophobicContact CD1-CG2 4.2Å; L35-V117 HydrophobicContact CD2-CG2 4.08Å; M39-V117 HydrophobicContact CE-CG1 4.14Å; L87-V117 HydrophobicContact CD1-CB 4.08Å; L87-V117 HydrophobicContact CD1-CG1 3.8Å; L87-V117 HydrophobicContact CD1-CG2 4.35Å; T93-V117 HydrophobicContact CG2-CG2 3.71Å; V95-V117 PolarHBondContact O-N 3.19Å; L96-V117 CarbonylContact C-O 3.49Å; L96-V117 WeakPolarHBondContact CA-O 3.5Å; L96-V117 HydrophobicContact CD2-CB 3.89Å; L96-V117 HydrophobicContact CD2-CG2 4.19Å; V97-V117 PolarHBondContact N-O 2.94Å; V117-F119 HydrophobicContact CG1-CD1 4.13Å; V117-A139 WeakPolarHBondContact CA-O 3.23Å; V117-I140 HydrophobicContact CG1-CG1 4.43Å; V117-I140 HydrophobicContact CG2-CG1 4.41Å
118C98.9Very high95.1Very high0 Ų034.3 Ų34.30%018%0.182CC..EExtended strand (participates in β ladder)trans-105.2126.4171.9-58.10000108.2V97 F138 A139 Y141 L280V97-C118 HydrophobicContact CB-CB 4.41Å; V97-C118 CarbonylContact O-C 3.44Å; V97-C118 VanDerWaalsContact O-CA 3.27Å; V97-C118 WeakPolarHBondContact O-CA 3.42Å; C118-F138 CarbonylContact O-C 3.38Å; C118-F138 WeakPolarHBondContact O-CA 3.18Å; C118-A139 PolarHBondContact N-O 2.83Å; C118-A139 PolarHBondContact O-N 2.79Å; C118-Y141 HydrophobicContact CB-CE2 4.45Å; C118-L280 HydrophobicContact CB-CB 4.16Å; C118-L280 WeakPolarHBondContact CB-O 3.46Å
119F98.9Very high94.6Very high0 Ų035.7 Ų35.70%019%0.187CC..EExtended strand (participates in β ladder)trans-147.4144.2-176.365-88.5000114.5V83 I84 L87 L96 V97 T98 E99 V117 P121 I137 F138 Y281V83-F119 HydrophobicContact CB-CD2 4.19Å; V83-F119 HydrophobicContact CB-CE2 3.76Å; V83-F119 HydrophobicContact CB-CZ 4.1Å; V83-F119 HydrophobicContact CG1-CD1 4.03Å; V83-F119 HydrophobicContact CG1-CD2 3.65Å; V83-F119 HydrophobicContact CG1-CE1 3.87Å; V83-F119 HydrophobicContact CG1-CE2 3.51Å; V83-F119 HydrophobicContact CG1-CG 3.91Å; V83-F119 HydrophobicContact CG1-CZ 3.62Å; V83-F119 HydrophobicContact CG2-CE2 4.48Å; I84-F119 HydrophobicContact CG1-CZ 3.9Å; L87-F119 HydrophobicContact CD1-CD1 4.16Å; L87-F119 HydrophobicContact CD1-CE1 4.06Å; L96-F119 HydrophobicContact CB-CE1 4.2Å; V97-F119 PolarHBondContact O-N 2.89Å; T98-F119 VanDerWaalsContact CA-O 3.23Å; T98-F119 WeakPolarHBondContact CA-O 3.41Å; T98-F119 VanDerWaalsContact CB-CE2 3.46Å; T98-F119 VanDerWaalsContact CB-CZ 3.44Å; T98-F119 HydrophobicContact CG2-CE2 4.29Å; T98-F119 HydrophobicContact CG2-CZ 3.99Å; T98-F119 WeakPolarHBondContact OG1-CE2 3.34Å; T98-F119 PolarHBondContact OG1-O 3.38Å; E99-F119 PolarHBondContact N-O 3.35Å; V117-F119 HydrophobicContact CG1-CD1 4.13Å; F119-P121 HydrophobicContact CD2-CB 4.13Å; F119-P121 HydrophobicContact CE2-CB 4.12Å; F119-P121 HydrophobicContact CE2-CG 4.46Å; F119-I137 CarbonylContact C-O 3.45Å; F119-I137 WeakPolarHBondContact CA-O 3.45Å; F119-I137 VanDerWaalsContact CB-O 3.24Å; F119-I137 WeakPolarHBondContact CB-O 3.24Å; F119-F138 HydrophobicContact CB-CB 4Å; F119-Y281 VanDerWaalsContact C-CB 3.48Å
120D98.5Very high94.5Very high2 Ų232.9 Ų32.91%0.01119%0.185CC..EExtended strand (participates in β ladder)trans-96.5112.7162.4176.3-11.2000106.8L122 D123 T136 I137 Y281D120-L122 VanDerWaalsContact C-N 3.29Å; D120-L122 PolarHBondContact O-N 2.83Å; D120-L122 PolarHBondContact OD1-N 3.41Å; D120-D123 PolarHBondContact OD1-N 2.82Å; D120-D123 VanDerWaalsContact OD2-CA 3.29Å; D120-D123 WeakPolarHBondContact OD2-CA 3.32Å; D120-D123 VanDerWaalsContact OD2-CB 3.31Å; D120-D123 WeakPolarHBondContact OD2-CB 3.39Å; D120-T136 CarbonylContact O-C 3.56Å; D120-T136 WeakPolarHBondContact O-CA 3.33Å; D120-T136 WeakPolarHBondContact O-CG2 3.07Å; D120-I137 HydrophobicContact CB-CB 4.15Å; D120-I137 HydrophobicContact CB-CG1 4.41Å; D120-I137 PolarHBondContact N-O 2.83Å; D120-I137 PolarHBondContact O-N 3.37Å; D120-Y281 HydrophobicContact CB-CD2 4.2Å
121P97.5Very high94.3Very high1 Ų134.1 Ų34.11%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-69.9-27.4-175.930.7-34.1000112.5N80 T98 E100 F119 T136N80-P121 HydrophobicContact CB-CB 4.19Å; N80-P121 HydrophobicContact CB-CG 3.95Å; T98-P121 WeakPolarHBondContact OG1-CD 3.42Å; E100-P121 HydrophobicContact CG-CG 3.83Å; F119-P121 HydrophobicContact CD2-CB 4.13Å; F119-P121 HydrophobicContact CE2-CB 4.12Å; F119-P121 HydrophobicContact CE2-CG 4.46Å; P121-T136 PolarHBondContact O-OG1 3.18Å
122L96.8Very high94.3Very high3 Ų332.2 Ų32.22%0.01619%0.187CC..EExtended strand (participates in β ladder)trans-153.477.3-177.3-156.662.2000114I46 V50 L75 D76 D120 I128 I134 G135 Y169I46-L122 HydrophobicContact CG2-CD1 4.22Å; V50-L122 HydrophobicContact CG2-CD1 4.4Å; L75-L122 HydrophobicContact CB-CD2 3.5Å; D76-L122 WeakPolarHBondContact OD1-CD2 3.17Å; D120-L122 VanDerWaalsContact C-N 3.29Å; D120-L122 PolarHBondContact O-N 2.83Å; D120-L122 PolarHBondContact OD1-N 3.41Å; L122-I128 HydrophobicContact CD2-CD1 3.53Å; L122-I128 HydrophobicContact CD2-CG1 4.49Å; L122-I128 HydrophobicContact CG-CD1 4.38Å; L122-I134 HydrophobicContact CD1-CD1 3.81Å; L122-I134 HydrophobicContact CD1-CG1 4.35Å; L122-I134 HydrophobicContact CD2-CD1 4.41Å; L122-I134 HydrophobicContact CG-CD1 4.25Å; L122-G135 CarbonylContact C-O 3.57Å; L122-G135 WeakPolarHBondContact CA-O 3.24Å; L122-Y169 HydrophobicContact CD1-CD2 4.25Å; L122-Y169 HydrophobicContact CD1-CE2 4.05Å
123D96.7Very high94.4Very high11 Ų1131 Ų316%0.05919%0.188CC..EExtended strand (participates in β ladder)trans-62.1139174.3170.159.6000111.4D120 I134 G135 I137 S249 M250 V251D120-D123 PolarHBondContact OD1-N 2.82Å; D120-D123 VanDerWaalsContact OD2-CA 3.29Å; D120-D123 WeakPolarHBondContact OD2-CA 3.32Å; D120-D123 VanDerWaalsContact OD2-CB 3.31Å; D120-D123 WeakPolarHBondContact OD2-CB 3.39Å; D123-I134 WeakPolarHBondContact O-CA 3.33Å; D123-I134 VanDerWaalsContact O-CB 3.25Å; D123-I134 WeakPolarHBondContact O-CB 3.37Å; D123-G135 PolarHBondContact N-O 3.17Å; D123-G135 PolarHBondContact O-N 3.2Å; D123-G135 VanDerWaalsContact O-N 3.09Å; D123-I137 HydrophobicContact CB-CD1 3.78Å; D123-I137 HydrophobicContact CB-CG1 4.12Å; D123-S249 PolarHBondContact OD2-OG 3.32Å; D123-M250 WeakPolarHBondContact OD1-CB 3.38Å; D123-M250 PolarHBondContact OD2-N 3.35Å; D123-V251 HydrophobicContact CB-CG1 4.47Å; D123-V251 VanDerWaalsContact OD2-CG1 3.29Å; D123-V251 WeakPolarHBondContact OD2-CG1 3.27Å; D123-V251 PolarHBondContact OD2-N 3.24Å
124G92.4Very high94.5Very high10 Ų1030.2 Ų30.210%0.10318%0.179CC..THydrogen-bonded Turntrans78.525178.400000113.2S126 N127 I134G124-S126 PolarHBondContact O-N 3.12Å; G124-N127 WeakPolarHBondContact O-CA 3.43Å; G124-N127 WeakPolarHBondContact O-CB 3.39Å; G124-N127 PolarHBondContact O-N 3.19Å; G124-I134 VanDerWaalsContact O-CG2 3.23Å; G124-I134 WeakPolarHBondContact O-CG2 3.41Å
125S83.2Confident94.6Very high31 Ų3127.5 Ų27.522%0.21717%0.168CC..G310 helixtrans-49.5-33.4-179.567.70000113.6K73 D76 N127 I128K73-S125 VanDerWaalsContact CD-O 3.25Å; K73-S125 WeakPolarHBondContact CD-O 3.39Å; K73-S125 WeakPolarHBondContact CE-O 3.47Å; K73-S125 PolarHBondContact NZ-O 2.91Å; D76-S125 VanDerWaalsContact OD1-CB 3.27Å; D76-S125 WeakPolarHBondContact OD1-CB 3.2Å; S125-N127 PolarHBondContact O-N 3.05Å; S125-N127 VanDerWaalsContact O-N 3.08Å; S125-I128 WeakPolarHBondContact O-CB 3.14Å; S125-I128 WeakPolarHBondContact O-CG1 3.46Å; S125-I128 PolarHBondContact O-N 3.22Å; S125-I128 VanDerWaalsContact O-N 3.1Å
126S85.6Confident94.6Very high82 Ų8226.3 Ų26.357%0.57316%0.163SC*.G310 helixtrans-55.2-27.6173.762.50000113.8K73 G124K73-S126 PolarHBondContact NZ-O 3.03Å; G124-S126 PolarHBondContact O-N 3.12Å
127N91.8Very high94.6Very high24 Ų2426.3 Ų26.313%0.12816%0.163CC..G310 helixtrans-93.7-0.5-176.8-61.6-38.5000114.4G124 S125 D129 C130 L131 A132 I134 G248 S249G124-N127 WeakPolarHBondContact O-CA 3.43Å; G124-N127 WeakPolarHBondContact O-CB 3.39Å; G124-N127 PolarHBondContact O-N 3.19Å; S125-N127 PolarHBondContact O-N 3.05Å; S125-N127 VanDerWaalsContact O-N 3.08Å; N127-D129 VanDerWaalsContact C-N 3.34Å; N127-D129 PolarHBondContact O-N 2.92Å; N127-C130 PolarHBondContact O-N 3.24Å; N127-C130 PolarHBondContact O-SG 3.12Å; N127-L131 PolarHBondContact O-N 3.31Å; N127-A132 HydrophobicContact CB-CB 3.76Å; N127-A132 PolarHBondContact O-N 2.93Å; N127-I134 HydrophobicContact CB-CG2 4.32Å; N127-G248 PolarHBondContact ND2-O 3.49Å; N127-S249 PolarHBondContact ND2-N 3.08Å
128I88.4Confident94.6Very high7 Ų726.4 Ų26.44%0.03616%0.163CC..THydrogen-bonded Turntrans-55.8-48.7179.6-71.6174.6000111.4F59 K73 L75 L122 S125 C130 L131 I134F59-I128 HydrophobicContact CD1-CG2 3.6Å; F59-I128 HydrophobicContact CE1-CG2 3.68Å; K73-I128 HydrophobicContact CB-CD1 4.43Å; K73-I128 HydrophobicContact CD-CB 4.27Å; K73-I128 HydrophobicContact CD-CD1 3.89Å; L75-I128 HydrophobicContact CB-CD1 4.04Å; L75-I128 HydrophobicContact CD1-CD1 4.03Å; L75-I128 HydrophobicContact CD1-CG1 4.48Å; L75-I128 HydrophobicContact CD1-CG2 3.75Å; L122-I128 HydrophobicContact CD2-CD1 3.53Å; L122-I128 HydrophobicContact CD2-CG1 4.49Å; L122-I128 HydrophobicContact CG-CD1 4.38Å; S125-I128 WeakPolarHBondContact O-CB 3.14Å; S125-I128 WeakPolarHBondContact O-CG1 3.46Å; S125-I128 PolarHBondContact O-N 3.22Å; S125-I128 VanDerWaalsContact O-N 3.1Å; I128-C130 VanDerWaalsContact C-N 3.27Å; I128-C130 PolarHBondContact O-N 2.94Å; I128-L131 PolarHBondContact O-N 2.76Å; I128-L131 VanDerWaalsContact O-N 3.1Å; I128-I134 HydrophobicContact CD1-CD1 4.49Å; I128-I134 HydrophobicContact CG1-CD1 3.82Å; I128-I134 HydrophobicContact CG1-CG2 4.31Å
129D87.3Confident94.6Very high81 Ų8126.4 Ų26.443%0.43316%0.163SC..THydrogen-bonded Turntrans-73.7-21.6-170.3-54.2-47.9000112.4K73 N127K73-D129 IonicContact NZ-OD2 3.96Å; K73-D129 PolarHBondContact NZ-OD2 3.08Å; N127-D129 VanDerWaalsContact C-N 3.34Å; N127-D129 PolarHBondContact O-N 2.92Å
130C91.9Very high94.6Very high86 Ų8626.5 Ų26.558%0.58116%0.164SC*.THydrogen-bonded Turntrans-95.28.617467.10000113.4N127 I128 A132N127-C130 PolarHBondContact O-N 3.24Å; N127-C130 PolarHBondContact O-SG 3.12Å; I128-C130 VanDerWaalsContact C-N 3.27Å; I128-C130 PolarHBondContact O-N 2.94Å; C130-A132 PolarHBondContact O-N 3.2Å; C130-A132 VanDerWaalsContact O-N 3.16Å
131L93.6Very high94.6Very high139 Ų13926.4 Ų26.473%0.72816%0.163SC*.THydrogen-bonded Turntrans58.224178.2-51.7176.1000113.9F59 N127 I128F59-L131 HydrophobicContact CE1-CD2 4.48Å; F59-L131 HydrophobicContact CE2-CD2 4.37Å; F59-L131 HydrophobicContact CZ-CD2 3.65Å; N127-L131 PolarHBondContact O-N 3.31Å; I128-L131 PolarHBondContact O-N 2.76Å; I128-L131 VanDerWaalsContact O-N 3.1Å
132A95.8Very high94.6Very high26 Ų2631.8 Ų31.822%0.21519%0.186CC..  trans-74.6157.8173.600000110.4N127 C130 I134N127-A132 HydrophobicContact CB-CB 3.76Å; N127-A132 PolarHBondContact O-N 2.93Å; C130-A132 PolarHBondContact O-N 3.2Å; C130-A132 VanDerWaalsContact O-N 3.16Å; A132-I134 PolarHBondContact O-N 3.05Å
133P97.3Very high94.6Very high45 Ų4533.1 Ų33.129%0.29219%0.192SC..  trans-58.2137.9178.8-24.134.4000112.1L168 S249 A252P133-L168 HydrophobicContact CB-CD1 4.13Å; P133-S249 WeakPolarHBondContact O-CB 3.45Å; P133-S249 PolarHBondContact O-OG 3.16Å; P133-A252 HydrophobicContact CB-CB 3.91Å
134I97.9Very high94.4Very high4 Ų438.9 Ų38.92%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-133.1177.717856.8177.8000109.1V50 L122 D123 G124 N127 I128 A132 Y169 V251V50-I134 HydrophobicContact CG1-CD1 3.85Å; V50-I134 HydrophobicContact CG1-CG1 4.28Å; V50-I134 HydrophobicContact CG2-CD1 3.95Å; L122-I134 HydrophobicContact CD1-CD1 3.81Å; L122-I134 HydrophobicContact CD1-CG1 4.35Å; L122-I134 HydrophobicContact CD2-CD1 4.41Å; L122-I134 HydrophobicContact CG-CD1 4.25Å; D123-I134 WeakPolarHBondContact O-CA 3.33Å; D123-I134 VanDerWaalsContact O-CB 3.25Å; D123-I134 WeakPolarHBondContact O-CB 3.37Å; G124-I134 VanDerWaalsContact O-CG2 3.23Å; G124-I134 WeakPolarHBondContact O-CG2 3.41Å; N127-I134 HydrophobicContact CB-CG2 4.32Å; I128-I134 HydrophobicContact CD1-CD1 4.49Å; I128-I134 HydrophobicContact CG1-CD1 3.82Å; I128-I134 HydrophobicContact CG1-CG2 4.31Å; A132-I134 PolarHBondContact O-N 3.05Å; I134-Y169 HydrophobicContact CG1-CD2 4.1Å; I134-Y169 WeakPolarHBondContact O-CA 3.43Å; I134-Y169 PolarHBondContact O-N 2.95Å; I134-V251 VanDerWaalsContact C-CG1 3.49Å
135G98.4Very high94.3Very high0 Ų041.2 Ų41.20%023%0.231CC..EExtended strand (participates in β ladder)trans-161.3-178.1-176.700000115.7L122 D123 A167 V251L122-G135 CarbonylContact C-O 3.57Å; L122-G135 WeakPolarHBondContact CA-O 3.24Å; D123-G135 PolarHBondContact N-O 3.17Å; D123-G135 PolarHBondContact O-N 3.2Å; D123-G135 VanDerWaalsContact O-N 3.09Å; G135-A167 CarbonylContact C-O 3.56Å; G135-A167 WeakPolarHBondContact CA-O 3.5Å; G135-V251 VanDerWaalsContact CA-CG1 3.47Å
136T98.9Very high94.7Very high0 Ų048 Ų480%027%0.265CS..EExtended strand (participates in β ladder)trans-126.4136.4170.8-63.20000107D120 P121 Y166 A167 Y169D120-T136 CarbonylContact O-C 3.56Å; D120-T136 WeakPolarHBondContact O-CA 3.33Å; D120-T136 WeakPolarHBondContact O-CG2 3.07Å; P121-T136 PolarHBondContact O-OG1 3.18Å; T136-Y166 CarbonylContact O-C 3.6Å; T136-Y166 WeakPolarHBondContact O-CA 3.28Å; T136-Y166 WeakPolarHBondContact O-CB 3.33Å; T136-A167 PolarHBondContact N-O 3.48Å; T136-A167 PolarHBondContact O-N 2.94Å; T136-Y169 WeakPolarHBondContact CB-OH 3.03Å; T136-Y169 WeakPolarHBondContact OG1-CE2 3.46Å; T136-Y169 PolarHBondContact OG1-OH 3.14Å
137I98.9Very high95.1Very high0 Ų049.9 Ų49.90%027%0.269CS..EExtended strand (participates in β ladder)trans-121.7139.4-176.5-46.9175.3000108.6F119 D120 D123 M250 Y281 E282 P285 M286F119-I137 CarbonylContact C-O 3.45Å; F119-I137 WeakPolarHBondContact CA-O 3.45Å; F119-I137 VanDerWaalsContact CB-O 3.24Å; F119-I137 WeakPolarHBondContact CB-O 3.24Å; D120-I137 HydrophobicContact CB-CB 4.15Å; D120-I137 HydrophobicContact CB-CG1 4.41Å; D120-I137 PolarHBondContact N-O 2.83Å; D120-I137 PolarHBondContact O-N 3.37Å; D123-I137 HydrophobicContact CB-CD1 3.78Å; D123-I137 HydrophobicContact CB-CG1 4.12Å; I137-M250 HydrophobicContact CD1-SD 3.96Å; I137-Y281 WeakPolarHBondContact CB-O 3.37Å; I137-Y281 VanDerWaalsContact CG2-O 3.28Å; I137-Y281 WeakPolarHBondContact CG2-O 3.38Å; I137-E282 HydrophobicContact CD1-CG 4.36Å; I137-P285 HydrophobicContact CG2-CB 3.69Å; I137-P285 HydrophobicContact CG2-CG 3.39Å; I137-M286 HydrophobicContact CB-CE 4.42Å; I137-M286 HydrophobicContact CD1-CE 3.5Å; I137-M286 VanDerWaalsContact CD1-CE 3.5Å; I137-M286 HydrophobicContact CG1-CE 3.64Å; I137-M286 HydrophobicContact CG2-CE 3.96Å; I137-M286 HydrophobicContact CG2-CG 4.38Å
138F98.9Very high95.4Very high2 Ų253.7 Ų53.71%0.00929%0.286CS..EExtended strand (participates in β ladder)trans-147.5144.7178.364.3-87.3000113.5L36 M39 I43 C118 F119 I140 A164 G165 L177 P285L36-F138 HydrophobicContact CD2-CE2 4.22Å; M39-F138 HydrophobicContact CE-CB 3.7Å; M39-F138 HydrophobicContact CE-CD1 4.31Å; M39-F138 HydrophobicContact CE-CD2 4.37Å; M39-F138 HydrophobicContact CE-CG 3.88Å; M39-F138 HydrophobicContact CG-CD1 4.14Å; M39-F138 HydrophobicContact CG-CE1 4.15Å; M39-F138 HydrophobicContact CG-CG 4.36Å; M39-F138 HydrophobicContact CG-CZ 4.38Å; M39-F138 HydrophobicContact SD-CD1 4.34Å; M39-F138 HydrophobicContact SD-CG 4.49Å; I43-F138 HydrophobicContact CD1-CE1 4.28Å; C118-F138 CarbonylContact O-C 3.38Å; C118-F138 WeakPolarHBondContact O-CA 3.18Å; F119-F138 HydrophobicContact CB-CB 4Å; F138-I140 HydrophobicContact CD2-CD1 4.27Å; F138-I140 HydrophobicContact CD2-CG1 4.22Å; F138-I140 HydrophobicContact CE2-CD1 4.34Å; F138-A164 VanDerWaalsContact O-CA 3.31Å; F138-A164 WeakPolarHBondContact O-CA 3.42Å; F138-A164 WeakPolarHBondContact O-CB 3.13Å; F138-G165 WeakPolarHBondContact CD1-O 3.46Å; F138-G165 VanDerWaalsContact CE1-C 3.5Å; F138-G165 PolarHBondContact N-O 2.83Å; F138-G165 PolarHBondContact O-N 2.96Å; F138-L177 HydrophobicContact CE2-CD1 4.12Å; F138-L177 HydrophobicContact CZ-CD1 3.98Å; F138-P285 WeakPolarHBondContact O-CB 3.41Å
139A98.9Very high95.8Very high0 Ų054.3 Ų54.30%029%0.29CS..EExtended strand (participates in β ladder)trans-124.8137.916900000109.7V117 C118 Y141 I161 A164 P285V117-A139 WeakPolarHBondContact CA-O 3.23Å; C118-A139 PolarHBondContact N-O 2.83Å; C118-A139 PolarHBondContact O-N 2.79Å; A139-Y141 HydrophobicContact CB-CE2 3.74Å; A139-I161 HydrophobicContact CB-CD1 3.82Å; A139-I161 HydrophobicContact CB-CG1 4.18Å; A139-A164 HydrophobicContact CB-CB 4.48Å; A139-P285 HydrophobicContact CB-CB 4Å; A139-P285 HydrophobicContact CB-CG 4.26Å
140I98.8Very high96.3Very high2 Ų252.5 Ų52.51%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-117.6126.9178.9-54.5173.4000107.9L32 L35 L36 Y115 V116 V117 F138 I161 V162 A163L32-I140 HydrophobicContact CD1-CD1 4.15Å; L32-I140 HydrophobicContact CD1-CG2 4.22Å; L35-I140 HydrophobicContact CD2-CD1 3.88Å; L35-I140 HydrophobicContact CD2-CG1 4.34Å; L35-I140 HydrophobicContact CD2-CG2 3.71Å; L35-I140 HydrophobicContact CG-CD1 4.22Å; L36-I140 HydrophobicContact CD2-CD1 3.88Å; Y115-I140 HydrophobicContact CD1-CG2 3.71Å; Y115-I140 HydrophobicContact CG-CG2 4.06Å; V116-I140 WeakPolarHBondContact O-CA 3.43Å; V117-I140 HydrophobicContact CG1-CG1 4.43Å; V117-I140 HydrophobicContact CG2-CG1 4.41Å; F138-I140 HydrophobicContact CD2-CD1 4.27Å; F138-I140 HydrophobicContact CD2-CG1 4.22Å; F138-I140 HydrophobicContact CE2-CD1 4.34Å; I140-I161 WeakPolarHBondContact O-CA 3.42Å; I140-V162 HydrophobicContact CB-CG2 4.24Å; I140-V162 HydrophobicContact CG2-CG2 3.85Å; I140-V162 VanDerWaalsContact O-CG2 3.28Å; I140-V162 WeakPolarHBondContact O-CG2 3.23Å; I140-V162 PolarHBondContact O-N 3.4Å; I140-A163 WeakPolarHBondContact CA-O 3.01Å; I140-A163 HydrophobicContact CB-CB 4.35Å; I140-A163 WeakPolarHBondContact CB-O 3.48Å; I140-A163 HydrophobicContact CD1-CB 4.21Å; I140-A163 PolarHBondContact N-O 2.85Å; I140-A163 PolarHBondContact O-N 3.35Å
141Y98.6Very high96.5Very high0 Ų053.2 Ų53.20%028%0.279CS..EExtended strand (participates in β ladder)trans-117158.3174.4-57-99.9000109.3Y115 V116 C118 A139 Q156 N160 I161 N284Y115-Y141 CarbonylContact C-O 3.58Å; Y115-Y141 WeakPolarHBondContact CA-O 3.12Å; Y115-Y141 WeakPolarHBondContact CD1-O 3.22Å; V116-Y141 PolarHBondContact N-O 3.03Å; V116-Y141 PolarHBondContact O-N 3.18Å; C118-Y141 HydrophobicContact CB-CE2 4.45Å; A139-Y141 HydrophobicContact CB-CE2 3.74Å; Y141-Q156 HydrophobicContact CD1-CB 3.91Å; Y141-Q156 HydrophobicContact CE1-CB 4.11Å; Y141-N160 HydrophobicContact CD1-CB 4.01Å; Y141-N160 HydrophobicContact CE1-CB 4.43Å; Y141-I161 HydrophobicContact CD1-CG1 4.03Å; Y141-I161 HydrophobicContact CE1-CB 4.38Å; Y141-I161 HydrophobicContact CE1-CD1 4.36Å; Y141-I161 HydrophobicContact CE1-CG1 3.36Å; Y141-I161 HydrophobicContact CE2-CG1 4.05Å; Y141-I161 WeakPolarHBondContact OH-CG1 3.28Å; Y141-N284 PolarHBondContact OH-ND2 3.45Å
142K97.1Very high96.7Very high114 Ų11453.9 Ų53.950%0.49628%0.276SS..EExtended strand (participates in β ladder)trans-93.6138.1168-167.6179.5177.6-172.20108.7E144 Q156 V162K142-E144 PolarHBondContact O-N 2.93Å; K142-Q156 PolarHBondContact O-NE2 2.83Å; K142-V162 HydrophobicContact CB-CG1 4.22Å
143K96.4Very high96.8Very high31 Ų3153 Ų5314%0.13527%0.268CS..  trans-63.2129.2170.4-171.3-179.8-171.7-630109.5K114 T145 D147 P149 D153K114-K143 WeakPolarHBondContact O-CB 3.35Å; K114-K143 PolarHBondContact O-N 3.15Å; K143-T145 VanDerWaalsContact NZ-C 3.34Å; K143-T145 PolarHBondContact NZ-O 2.79Å; K143-T145 PolarHBondContact NZ-OG1 3.29Å; K143-D147 WeakPolarHBondContact CE-O 3.47Å; K143-D147 PolarHBondContact NZ-O 2.93Å; K143-P149 HydrophobicContact CD-CG 4.43Å; K143-D153 WeakPolarHBondContact CE-OD2 3.42Å; K143-D153 HydrophobicContact CG-CB 4.32Å; K143-D153 WeakPolarHBondContact CG-OD1 3.33Å; K143-D153 IonicContact NZ-OD1 2.74Å; K143-D153 IonicContact NZ-OD2 3.82Å
144E92.5Very high96.8Very high132 Ų13250.9 Ų50.962%0.61725%0.254SS*.  trans-93.9-26.9-176.6-62.5-172.2146.900113.1K142 N160K142-E144 PolarHBondContact O-N 2.93Å; E144-N160 PolarHBondContact OE1-ND2 2.98Å
145T90.8Very high96.8Very high60 Ų6052.8 Ų52.837%0.36826%0.263SS..  trans-95.6157.9-174.164.60000111.8K143 D153K143-T145 VanDerWaalsContact NZ-C 3.34Å; K143-T145 PolarHBondContact NZ-O 2.79Å; K143-T145 PolarHBondContact NZ-OG1 3.29Å; T145-D153 PolarHBondContact OG1-OD1 2.76Å
146N90.8Very high96.8Very high172 Ų17253.3 Ų53.392%0.9227%0.266SS*.SBendtrans-91.3-5.6171.7-69.8-36.8000113.1
147D94.8Very high96.8Very high122 Ų12255 Ų5565%0.65228%0.277SS*.SBendtrans-67.3170-180-59.5-40.7000112.2K143K143-D147 WeakPolarHBondContact CE-O 3.47Å; K143-D147 PolarHBondContact NZ-O 2.93Å
148E96.7Very high96.8Very high105 Ų10555 Ų5549%0.49128%0.277SS..PPolyproline II helixtrans-57.6135.8171-79.1-76.8169.700110.6K109 R112 S150K109-E148 WeakPolarHBondContact CE-OE1 3.23Å; K109-E148 IonicContact NZ-OE1 2.88Å; K109-E148 PolarHBondContact NZ-OE1 2.91Å; K109-E148 IonicContact NZ-OE2 3.35Å; R112-E148 IonicContact CZ-OE2 3.7Å; R112-E148 IonicContact NH1-OE1 3.53Å; R112-E148 IonicContact NH1-OE2 2.76Å; R112-E148 PolarHBondContact NH1-OE2 3.48Å; R112-E148 IonicContact NH2-OE2 3.82Å; R112-E148 PolarHBondContact NH2-OE2 3.45Å; E148-S150 PolarHBondContact O-N 2.8Å
149P97.4Very high96.8Very high20 Ų2059.7 Ų59.713%0.1329%0.294CS..PPolyproline II helixtrans-57.2135.7-178-21.330000112.6C94 V95 I106 K143 D153C94-P149 HydrophobicContact CB-CB 3.97Å; C94-P149 HydrophobicContact CB-CG 3.8Å; V95-P149 HydrophobicContact CG2-CB 3.68Å; I106-P149 HydrophobicContact CG2-CB 4.31Å; K143-P149 HydrophobicContact CD-CG 4.43Å; P149-D153 VanDerWaalsContact CA-OD2 3.31Å; P149-D153 WeakPolarHBondContact CA-OD2 3.25Å
150S97.4Very high96.7Very high43 Ų4362.1 Ų62.130%0.30131%0.307SS..  trans-144171.3-179.569.70000111.5E148 K152 D153E148-S150 PolarHBondContact O-N 2.8Å; S150-K152 PolarHBondContact O-N 3.09Å; S150-K152 PolarHBondContact OG-N 3.44Å; S150-D153 PolarHBondContact N-OD2 3.43Å; S150-D153 WeakPolarHBondContact O-CB 3.47Å; S150-D153 PolarHBondContact O-N 2.97Å
151E96.4Very high96.7Very high101 Ų10162.5 Ų62.547%0.47231%0.309SS..G310 helixtrans-53.8-28.5175.566.8174.9-163.800113.5A104 D153 A154 L312A104-E151 HydrophobicContact CB-CB 3.85Å; E151-D153 PolarHBondContact O-N 3.03Å; E151-A154 WeakPolarHBondContact O-CB 3.36Å; E151-A154 PolarHBondContact O-N 2.86Å; E151-L312 HydrophobicContact CB-CD1 4.26Å; E151-L312 HydrophobicContact CB-CD2 4.32Å
152K97.2Very high96.7Very high153 Ų15364.8 Ų64.867%0.66532%0.324SS*.G310 helixtrans-63-28.7-179.5-61.9179.5-178.3175.90112.2S150 A154 L155S150-K152 PolarHBondContact O-N 3.09Å; S150-K152 PolarHBondContact OG-N 3.44Å; K152-A154 PolarHBondContact O-N 3.33Å; K152-L155 PolarHBondContact O-N 2.93Å; K152-L155 VanDerWaalsContact O-N 3.13Å
153D98Very high96.7Very high8 Ų859.4 Ų59.44%0.04330%0.3CS..G310 helixtrans-67.8-17.3177.8-62.4-63.7000112.2V95 V116 K143 T145 P149 S150 E151 Q156V95-D153 HydrophobicContact CG2-CB 4.29Å; V116-D153 HydrophobicContact CG2-CB 3.94Å; K143-D153 WeakPolarHBondContact CE-OD2 3.42Å; K143-D153 HydrophobicContact CG-CB 4.32Å; K143-D153 WeakPolarHBondContact CG-OD1 3.33Å; K143-D153 IonicContact NZ-OD1 2.74Å; K143-D153 IonicContact NZ-OD2 3.82Å; T145-D153 PolarHBondContact OG1-OD1 2.76Å; P149-D153 VanDerWaalsContact CA-OD2 3.31Å; P149-D153 WeakPolarHBondContact CA-OD2 3.25Å; S150-D153 PolarHBondContact N-OD2 3.43Å; S150-D153 WeakPolarHBondContact O-CB 3.47Å; S150-D153 PolarHBondContact O-N 2.97Å; E151-D153 PolarHBondContact O-N 3.03Å; D153-Q156 PolarHBondContact O-NE2 3.08Å
154A98Very high96.8Very high0 Ų057.9 Ų57.90%029%0.294CS..G310 helixtrans-91.1-15.217400000113.8V97 V116 E151 K152 Q156 L312V97-A154 HydrophobicContact CG2-CB 3.46Å; V97-A154 VanDerWaalsContact CG2-CB 3.46Å; V116-A154 HydrophobicContact CG1-CB 3.78Å; E151-A154 WeakPolarHBondContact O-CB 3.36Å; E151-A154 PolarHBondContact O-N 2.86Å; K152-A154 PolarHBondContact O-N 3.33Å; A154-Q156 PolarHBondContact O-N 3.3Å; A154-L312 HydrophobicContact CB-CD2 4.16Å
155L98.3Very high97.1Very high43 Ų4351.6 Ų51.623%0.22526%0.264CS..  trans-82.953.3-179.6-60178.1000111.4K152 L280 P309 L312K152-L155 PolarHBondContact O-N 2.93Å; K152-L155 VanDerWaalsContact O-N 3.13Å; L155-L280 HydrophobicContact CD2-CD1 4.45Å; L155-P309 HydrophobicContact CB-CB 4.47Å; L155-P309 HydrophobicContact CD2-CB 3.98Å; L155-L312 HydrophobicContact CD2-CD2 4.01Å
156Q98.4Very high97.5Very high11 Ų1148.8 Ų48.85%0.05125%0.247CC..  trans-104.1143.9177.9-62.3-173.948.100110.6Y141 K142 D153 A154 N160 P309Y141-Q156 HydrophobicContact CD1-CB 3.91Å; Y141-Q156 HydrophobicContact CE1-CB 4.11Å; K142-Q156 PolarHBondContact O-NE2 2.83Å; D153-Q156 PolarHBondContact O-NE2 3.08Å; A154-Q156 PolarHBondContact O-N 3.3Å; Q156-N160 HydrophobicContact CB-CB 4.2Å; Q156-N160 PolarHBondContact OE1-ND2 3.03Å; Q156-P309 WeakPolarHBondContact O-CD 3.22Å; Q156-P309 VanDerWaalsContact O-CG 3.26Å; Q156-P309 WeakPolarHBondContact O-CG 3.25Å
157P98.6Very high97.9Very high35 Ų3540.6 Ų40.623%0.22720%0.203CC..  trans-61150.2171.828.4-34.5000110.4R159 N160 L305P157-R159 PolarHBondContact O-N 3.25Å; P157-N160 WeakPolarHBondContact O-CB 3.4Å; P157-N160 PolarHBondContact O-N 2.81Å; P157-L305 CarbonylContact C-O 3.57Å
158G98.7Very high98.1Very high0 Ų035.7 Ų35.70%018%0.177CC..G310 helixtrans-58.7-20.5-179.200000114N160 I161 L305G158-N160 PolarHBondContact O-N 2.96Å; G158-I161 WeakPolarHBondContact O-CB 3.28Å; G158-I161 VanDerWaalsContact O-CG1 3.24Å; G158-I161 WeakPolarHBondContact O-CG1 3.44Å; G158-I161 PolarHBondContact O-N 3.06Å; G158-L305 PolarHBondContact N-O 3.27Å
159R98.4Very high98.2Very high101 Ų10131.1 Ų31.138%0.38116%0.155SC..G310 helixtrans-57.7-24.3170.9-64.9-59.5175.8-159.1-12.5114P157 I161 E291 L305 D306P157-R159 PolarHBondContact O-N 3.25Å; R159-I161 VanDerWaalsContact C-N 3.31Å; R159-E291 IonicContact CZ-OE1 3.91Å; R159-E291 IonicContact CZ-OE2 2.75Å; R159-E291 IonicContact NH1-OE1 2.73Å; R159-E291 IonicContact NH1-OE2 2.69Å; R159-E291 PolarHBondContact NH1-OE2 3.45Å; R159-E291 IonicContact NH2-OE1 3.66Å; R159-E291 PolarHBondContact NH2-OE1 3.05Å; R159-E291 IonicContact NH2-OE2 3.33Å; R159-L305 HydrophobicContact CG-CB 4.13Å; R159-L305 WeakPolarHBondContact CG-O 3.4Å; R159-L305 PolarHBondContact N-O 3.4Å; R159-D306 WeakPolarHBondContact CG-OD1 3.38Å; R159-D306 IonicContact CZ-OD1 3.93Å; R159-D306 IonicContact CZ-OD2 3.86Å; R159-D306 IonicContact NE-OD1 3.46Å; R159-D306 PolarHBondContact NE-OD1 3.3Å; R159-D306 IonicContact NE-OD2 3.98Å; R159-D306 PolarHBondContact NE-OD2 2.92Å; R159-D306 IonicContact NH2-OD1 3.18Å; R159-D306 IonicContact NH2-OD2 2.9Å; R159-D306 PolarHBondContact NH2-OD2 3.39Å
160N98.4Very high98.2Very high51 Ų5131.4 Ų31.427%0.27316%0.161SC..G310 helixtrans-87.52-178.6-69.16.8000113.6Y141 E144 Q156 P157 G158 V162Y141-N160 HydrophobicContact CD1-CB 4.01Å; Y141-N160 HydrophobicContact CE1-CB 4.43Å; E144-N160 PolarHBondContact OE1-ND2 2.98Å; Q156-N160 HydrophobicContact CB-CB 4.2Å; Q156-N160 PolarHBondContact OE1-ND2 3.03Å; P157-N160 WeakPolarHBondContact O-CB 3.4Å; P157-N160 PolarHBondContact O-N 2.81Å; G158-N160 PolarHBondContact O-N 2.96Å; N160-V162 PolarHBondContact O-N 3.36Å
161I98.6Very high98.1Very high10 Ų1036 Ų365%0.05119%0.194CC..EExtended strand (participates in β ladder)trans-60.7128174.9-71.4174.2000109.6A139 I140 Y141 G158 R159 A163 A164 N284 F288A139-I161 HydrophobicContact CB-CD1 3.82Å; A139-I161 HydrophobicContact CB-CG1 4.18Å; I140-I161 WeakPolarHBondContact O-CA 3.42Å; Y141-I161 HydrophobicContact CD1-CG1 4.03Å; Y141-I161 HydrophobicContact CE1-CB 4.38Å; Y141-I161 HydrophobicContact CE1-CD1 4.36Å; Y141-I161 HydrophobicContact CE1-CG1 3.36Å; Y141-I161 HydrophobicContact CE2-CG1 4.05Å; Y141-I161 WeakPolarHBondContact OH-CG1 3.28Å; G158-I161 WeakPolarHBondContact O-CB 3.28Å; G158-I161 VanDerWaalsContact O-CG1 3.24Å; G158-I161 WeakPolarHBondContact O-CG1 3.44Å; G158-I161 PolarHBondContact O-N 3.06Å; R159-I161 VanDerWaalsContact C-N 3.31Å; I161-A163 VanDerWaalsContact CG2-C 3.43Å; I161-A163 WeakPolarHBondContact CG2-O 3.32Å; I161-A164 HydrophobicContact CD1-CB 4.48Å; I161-A164 HydrophobicContact CG2-CB 3.75Å; I161-N284 HydrophobicContact CD1-CB 4.06Å; I161-F288 HydrophobicContact CB-CD2 3.68Å; I161-F288 HydrophobicContact CB-CE2 3.79Å; I161-F288 HydrophobicContact CB-CG 4.18Å; I161-F288 HydrophobicContact CB-CZ 4.39Å; I161-F288 HydrophobicContact CD1-CB 3.97Å; I161-F288 HydrophobicContact CD1-CD2 4.32Å; I161-F288 HydrophobicContact CD1-CG 4.28Å; I161-F288 HydrophobicContact CG2-CD1 3.93Å; I161-F288 HydrophobicContact CG2-CD2 3.71Å; I161-F288 HydrophobicContact CG2-CE1 3.95Å; I161-F288 HydrophobicContact CG2-CE2 3.74Å; I161-F288 HydrophobicContact CG2-CG 3.8Å; I161-F288 HydrophobicContact CG2-CZ 3.85Å; I161-F288 WeakPolarHBondContact O-CE2 3.27Å
162V97.4Very high98.2Very high49 Ų4933 Ų3330%0.29719%0.185SC..EExtended strand (participates in β ladder)trans-93.9-26.1173.7-61.90000112.3Y115 I140 K142 N160 T179Y115-V162 HydrophobicContact CD1-CG2 4.17Å; Y115-V162 HydrophobicContact CE1-CG2 3.97Å; I140-V162 HydrophobicContact CB-CG2 4.24Å; I140-V162 HydrophobicContact CG2-CG2 3.85Å; I140-V162 VanDerWaalsContact O-CG2 3.28Å; I140-V162 WeakPolarHBondContact O-CG2 3.23Å; I140-V162 PolarHBondContact O-N 3.4Å; K142-V162 HydrophobicContact CB-CG1 4.22Å; N160-V162 PolarHBondContact O-N 3.36Å; V162-T179 CarbonylContact O-C 3.47Å
163A98Very high98.3Very high0 Ų025.7 Ų25.70%015%0.154CC..EExtended strand (participates in β ladder)trans-15814217200000109.7L32 I140 I161 S178 T179L32-A163 HydrophobicContact CD1-CB 4.42Å; I140-A163 WeakPolarHBondContact CA-O 3.01Å; I140-A163 HydrophobicContact CB-CB 4.35Å; I140-A163 WeakPolarHBondContact CB-O 3.48Å; I140-A163 HydrophobicContact CD1-CB 4.21Å; I140-A163 PolarHBondContact N-O 2.85Å; I140-A163 PolarHBondContact O-N 3.35Å; I161-A163 VanDerWaalsContact CG2-C 3.43Å; I161-A163 WeakPolarHBondContact CG2-O 3.32Å; A163-S178 CarbonylContact C-O 3.52Å; A163-S178 WeakPolarHBondContact CA-O 3.26Å; A163-T179 HydrophobicContact CB-CG2 4.03Å
164A98.8Very high98.3Very high0 Ų026.2 Ų26.20%016%0.157CC..EExtended strand (participates in β ladder)trans-143.7162.4171.800000109.8F138 A139 I161 S178 P285 F288 I289F138-A164 VanDerWaalsContact O-CA 3.31Å; F138-A164 WeakPolarHBondContact O-CA 3.42Å; F138-A164 WeakPolarHBondContact O-CB 3.13Å; A139-A164 HydrophobicContact CB-CB 4.48Å; I161-A164 HydrophobicContact CD1-CB 4.48Å; I161-A164 HydrophobicContact CG2-CB 3.75Å; A164-S178 PolarHBondContact N-O 2.89Å; A164-S178 PolarHBondContact O-N 3.09Å; A164-P285 HydrophobicContact CB-CB 4.05Å; A164-F288 HydrophobicContact CB-CB 4.28Å; A164-F288 HydrophobicContact CB-CD1 3.8Å; A164-F288 HydrophobicContact CB-CG 4.27Å; A164-I289 WeakPolarHBondContact O-CD1 3.17Å
165G98.6Very high98.3Very high0 Ų026.3 Ų26.30%016%0.157CC..EExtended strand (participates in β ladder)trans-173.5178.7177.600000112.6F138 A176F138-G165 WeakPolarHBondContact CD1-O 3.46Å; F138-G165 VanDerWaalsContact CE1-C 3.5Å; F138-G165 PolarHBondContact N-O 2.83Å; F138-G165 PolarHBondContact O-N 2.96Å; G165-A176 CarbonylContact C-O 3.51Å; G165-A176 WeakPolarHBondContact CA-O 3.5Å
166Y98.9Very high98.3Very high0 Ų024.2 Ų24.20%015%0.146CC..EExtended strand (participates in β ladder)trans-144149.517159.4-99.5000110.2T136 L174 V175 A176 V251 H255 L258 M286 I289T136-Y166 CarbonylContact O-C 3.6Å; T136-Y166 WeakPolarHBondContact O-CA 3.28Å; T136-Y166 WeakPolarHBondContact O-CB 3.33Å; Y166-L174 HydrophobicContact CE2-CD2 4.47Å; Y166-V175 CarbonylContact O-C 3.36Å; Y166-V175 VanDerWaalsContact O-CA 3.32Å; Y166-V175 WeakPolarHBondContact O-CA 3.28Å; Y166-A176 HydrophobicContact CD1-CB 4.17Å; Y166-A176 HydrophobicContact CD2-CB 4.19Å; Y166-A176 HydrophobicContact CE1-CB 3.66Å; Y166-A176 HydrophobicContact CE2-CB 3.66Å; Y166-A176 HydrophobicContact CG-CB 4.42Å; Y166-A176 PolarHBondContact N-O 2.94Å; Y166-A176 PolarHBondContact O-N 3.07Å; Y166-V251 HydrophobicContact CD2-CG2 3.38Å; Y166-V251 HydrophobicContact CE2-CG2 4.08Å; Y166-V251 HydrophobicContact CG-CG2 3.83Å; Y166-H255 HydrophobicContact CE2-CB 3.96Å; Y166-H255 AromaticContact CE2-ND1 3.7Å; Y166-H255 AromaticContact CZ-ND1 3.77Å; Y166-H255 PolarHBondContact OH-ND1 3.36Å; Y166-L258 WeakPolarHBondContact OH-CD2 3.37Å; Y166-M286 HydrophobicContact CD1-CE 3.73Å; Y166-M286 HydrophobicContact CD1-SD 3.48Å; Y166-M286 WeakPolarHBondContact CD1-SD 3.45Å; Y166-M286 HydrophobicContact CE1-CE 4.5Å; Y166-M286 HydrophobicContact CE1-SD 3.92Å; Y166-M286 HydrophobicContact CG-CE 3.82Å; Y166-M286 HydrophobicContact CG-SD 4.21Å; Y166-I289 HydrophobicContact CD1-CG1 4.46Å; Y166-I289 HydrophobicContact CE1-CG2 4.01Å
167A98.9Very high98.3Very high0 Ų024 Ų240%015%0.145CC..EExtended strand (participates in β ladder)trans-98.5131.8163.700000109.4I43 G135 T136 Y169 L174 V175I43-A167 HydrophobicContact CB-CB 4.38Å; I43-A167 HydrophobicContact CD1-CB 4Å; I43-A167 HydrophobicContact CG1-CB 3.97Å; I43-A167 HydrophobicContact CG2-CB 3.47Å; I43-A167 VanDerWaalsContact CG2-CB 3.47Å; G135-A167 CarbonylContact C-O 3.56Å; G135-A167 WeakPolarHBondContact CA-O 3.5Å; T136-A167 PolarHBondContact N-O 3.48Å; T136-A167 PolarHBondContact O-N 2.94Å; A167-Y169 HydrophobicContact CB-CE1 4.01Å; A167-L174 CarbonylContact C-O 3.51Å; A167-L174 VanDerWaalsContact CA-O 3.23Å; A167-L174 WeakPolarHBondContact CA-O 3.41Å; A167-V175 HydrophobicContact CB-CG2 4.09Å
168L98.8Very high98.3Very high20 Ų2022.3 Ų22.311%0.10513%0.134CC..EExtended strand (participates in β ladder)trans-103.7122.2170.7175.962.6000108.7P133 G170 T173 L174 V251 A252 H255P133-L168 HydrophobicContact CB-CD1 4.13Å; L168-G170 PolarHBondContact O-N 3.02Å; L168-T173 VanDerWaalsContact O-CA 3.27Å; L168-T173 WeakPolarHBondContact O-CA 3.31Å; L168-L174 PolarHBondContact N-O 3.2Å; L168-L174 PolarHBondContact O-N 3.3Å; L168-L174 VanDerWaalsContact O-N 3.09Å; L168-V251 HydrophobicContact CB-CG2 4.27Å; L168-V251 HydrophobicContact CD1-CG1 4Å; L168-V251 HydrophobicContact CD1-CG2 4.28Å; L168-A252 HydrophobicContact CD1-CB 4.17Å; L168-H255 HydrophobicContact CD2-CB 4.1Å
169Y98.3Very high98.1Very high9 Ų924.1 Ų24.14%0.03515%0.146CC..EExtended strand (participates in β ladder)trans-99.169.2171.8-46.9-61000109.2I43 I46 V50 L122 I134 T136 A167 T173I43-Y169 HydrophobicContact CG2-CE1 3.95Å; I46-Y169 HydrophobicContact CG2-CD2 4.43Å; I46-Y169 HydrophobicContact CG2-CE1 4.26Å; I46-Y169 HydrophobicContact CG2-CE2 3.61Å; I46-Y169 WeakPolarHBondContact CG2-OH 3.43Å; V50-Y169 HydrophobicContact CG2-CD2 4.42Å; L122-Y169 HydrophobicContact CD1-CD2 4.25Å; L122-Y169 HydrophobicContact CD1-CE2 4.05Å; I134-Y169 HydrophobicContact CG1-CD2 4.1Å; I134-Y169 WeakPolarHBondContact O-CA 3.43Å; I134-Y169 PolarHBondContact O-N 2.95Å; T136-Y169 WeakPolarHBondContact CB-OH 3.03Å; T136-Y169 WeakPolarHBondContact OG1-CE2 3.46Å; T136-Y169 PolarHBondContact OG1-OH 3.14Å; A167-Y169 HydrophobicContact CB-CE1 4.01Å; Y169-T173 HydrophobicContact CD1-CG2 4.01Å; Y169-T173 HydrophobicContact CE1-CG2 4.22Å
170G97.4Very high97.8Very high25 Ų2520.9 Ų20.926%0.25814%0.144SC..SBendtrans-98.3-143.9178.400000112.3L168 A172L168-G170 PolarHBondContact O-N 3.02Å; G170-A172 CarbonylContact C-O 3.44Å; G170-A172 PolarHBondContact N-O 3.48Å; G170-A172 VanDerWaalsContact N-O 3.1Å; G170-A172 PolarHBondContact O-N 3.24Å
171S97Very high97.5Very high141 Ų14125.6 Ų25.699%0.98616%0.164SC*.SBendtrans-58.7-31.5170.953.20000112.5
172A97.4Very high97.4Very high36 Ų3625.3 Ų25.330%0.29816%0.164SC..SBendtrans-125.1164165.400000109.4G170 M187G170-A172 CarbonylContact C-O 3.44Å; G170-A172 PolarHBondContact N-O 3.48Å; G170-A172 VanDerWaalsContact N-O 3.1Å; G170-A172 PolarHBondContact O-N 3.24Å; A172-M187 HydrophobicContact CB-CG 4.31Å; A172-M187 HydrophobicContact CB-SD 3.9Å
173T98.7Very high97.5Very high1 Ų123 Ų231%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-95.4125.7169.6-70.40000110.1S47 R51 L168 Y169 L188 F195S47-T173 PolarHBondContact OG-OG1 3.03Å; R51-T173 VanDerWaalsContact CZ-OG1 3.25Å; R51-T173 PolarHBondContact NH1-OG1 2.91Å; R51-T173 PolarHBondContact NH2-OG1 2.8Å; L168-T173 VanDerWaalsContact O-CA 3.27Å; L168-T173 WeakPolarHBondContact O-CA 3.31Å; Y169-T173 HydrophobicContact CD1-CG2 4.01Å; Y169-T173 HydrophobicContact CE1-CG2 4.22Å; T173-L188 HydrophobicContact CG2-CB 4.14Å; T173-L188 HydrophobicContact CG2-CD2 4.14Å; T173-L188 PolarHBondContact O-N 3.4Å; T173-F195 HydrophobicContact CG2-CE1 4.05Å; T173-F195 HydrophobicContact CG2-CZ 4.24Å
174L98.4Very high97.5Very high19 Ų1923.2 Ų23.210%0.09915%0.151CC..EExtended strand (participates in β ladder)trans-127.9146.7-179.4177.7147000109.5Y166 A167 L168 A176 C185 F186Y166-L174 HydrophobicContact CE2-CD2 4.47Å; A167-L174 CarbonylContact C-O 3.51Å; A167-L174 VanDerWaalsContact CA-O 3.23Å; A167-L174 WeakPolarHBondContact CA-O 3.41Å; L168-L174 PolarHBondContact N-O 3.2Å; L168-L174 PolarHBondContact O-N 3.3Å; L168-L174 VanDerWaalsContact O-N 3.09Å; L174-A176 HydrophobicContact CD2-CB 4.22Å; L174-C185 HydrophobicContact CD1-CB 4.05Å; L174-C185 HydrophobicContact CD2-CB 4.35Å; L174-C185 HydrophobicContact CG-CB 4.36Å; L174-F186 CarbonylContact C-O 3.55Å; L174-F186 VanDerWaalsContact CA-O 3.28Å; L174-F186 WeakPolarHBondContact CA-O 3.26Å
175V98.8Very high97.5Very high1 Ų123.2 Ų23.21%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-117.6120.9167.1171.40000108.4L14 L40 I43 Y166 A167 L177 C185 F186 F195L14-V175 HydrophobicContact CD1-CB 4.26Å; L14-V175 HydrophobicContact CD1-CG1 4.06Å; L40-V175 HydrophobicContact CD2-CG1 4.25Å; L40-V175 HydrophobicContact CD2-CG2 4.22Å; I43-V175 HydrophobicContact CD1-CG2 4.08Å; I43-V175 HydrophobicContact CG2-CG2 4.08Å; Y166-V175 CarbonylContact O-C 3.36Å; Y166-V175 VanDerWaalsContact O-CA 3.32Å; Y166-V175 WeakPolarHBondContact O-CA 3.28Å; A167-V175 HydrophobicContact CB-CG2 4.09Å; V175-L177 HydrophobicContact CG1-CB 4.41Å; V175-C185 WeakPolarHBondContact O-CA 3.46Å; V175-F186 PolarHBondContact N-O 2.84Å; V175-F186 PolarHBondContact O-N 3.42Å; V175-F195 HydrophobicContact CB-CD1 4.41Å; V175-F195 HydrophobicContact CB-CE1 4.26Å; V175-F195 HydrophobicContact CG2-CD1 4.09Å; V175-F195 HydrophobicContact CG2-CE1 3.52Å; V175-F195 HydrophobicContact CG2-CE2 4.3Å; V175-F195 HydrophobicContact CG2-CZ 3.65Å
176A98.7Very high97.5Very high0 Ų023.2 Ų23.20%015%0.151CC..EExtended strand (participates in β ladder)trans-94.7128.4165.500000108.3G165 Y166 L174G165-A176 CarbonylContact C-O 3.51Å; G165-A176 WeakPolarHBondContact CA-O 3.5Å; Y166-A176 HydrophobicContact CD1-CB 4.17Å; Y166-A176 HydrophobicContact CD2-CB 4.19Å; Y166-A176 HydrophobicContact CE1-CB 3.66Å; Y166-A176 HydrophobicContact CE2-CB 3.66Å; Y166-A176 HydrophobicContact CG-CB 4.42Å; Y166-A176 PolarHBondContact N-O 2.94Å; Y166-A176 PolarHBondContact O-N 3.07Å; L174-A176 HydrophobicContact CD2-CB 4.22Å
177L98.5Very high97.4Very high5 Ų527.2 Ų27.23%0.02617%0.171CC..EExtended strand (participates in β ladder)trans-133.7137.3-174.4-179.869.4000110.5L14 V18 L36 F138 V175 D184 F186L14-L177 HydrophobicContact CD2-CD2 4.12Å; V18-L177 HydrophobicContact CG2-CD2 4.06Å; L36-L177 HydrophobicContact CD1-CD2 4.44Å; L36-L177 HydrophobicContact CD2-CD1 3.87Å; F138-L177 HydrophobicContact CE2-CD1 4.12Å; F138-L177 HydrophobicContact CZ-CD1 3.98Å; V175-L177 HydrophobicContact CG1-CB 4.41Å; L177-D184 PolarHBondContact N-O 2.84Å; L177-D184 PolarHBondContact O-N 2.78Å; L177-F186 HydrophobicContact CB-CE2 4.4Å
178S97.9Very high97.4Very high0 Ų028 Ų280%018%0.175CC..EExtended strand (participates in β ladder)trans-128.6143.7164.5-174.70000111A163 A164 G180 G182 Q292A163-S178 CarbonylContact C-O 3.52Å; A163-S178 WeakPolarHBondContact CA-O 3.26Å; A164-S178 PolarHBondContact N-O 2.89Å; A164-S178 PolarHBondContact O-N 3.09Å; S178-G180 PolarHBondContact OG-N 2.93Å; S178-G182 WeakPolarHBondContact CB-O 3.19Å; S178-G182 PolarHBondContact OG-O 2.81Å; S178-Q292 WeakPolarHBondContact OG-CG 3.48Å
179T94.4Very high97.3Very high39 Ų3929.7 Ų29.724%0.23918%0.184CC..SBendtrans-117.524.9172.4440000111V162 A163V162-T179 CarbonylContact O-C 3.47Å; A163-T179 HydrophobicContact CB-CG2 4.03Å
180G92.8Very high97.2Very high33 Ų3334.1 Ų34.134%0.3421%0.213SC..SBendtrans86.56.9-178.700000115.3S178 Q292S178-G180 PolarHBondContact OG-N 2.93Å; G180-Q292 PolarHBondContact O-OE1 3.04Å
181Q91.9Very high97Very high150 Ų15037.5 Ų37.570%0.70124%0.239SC*.SBendtrans-13568.4178.3-63.6179.815.700110.1
182G96.1Very high96.9Very high4 Ų435.5 Ų35.54%0.04122%0.217CC..  trans81.6179.8-177.700000113.3S178S178-G182 WeakPolarHBondContact CB-O 3.19Å; S178-G182 PolarHBondContact OG-O 2.81Å
183V98.4Very high96.8Very high0 Ų034.9 Ų34.90%021%0.214CC..EExtended strand (participates in β ladder)trans-120.8134.1-178.1-178.20000109.1D201 V202 L258 I289 Q292 A293V183-D201 CarbonylContact O-C 3.48Å; V183-D201 VanDerWaalsContact O-CA 3.27Å; V183-D201 WeakPolarHBondContact O-CA 3.36Å; V183-D201 PolarHBondContact O-N 3.13Å; V183-D201 VanDerWaalsContact O-N 3.17Å; V183-V202 HydrophobicContact CB-CB 4.27Å; V183-V202 HydrophobicContact CG1-CB 4.43Å; V183-V202 PolarHBondContact O-N 3.41Å; V183-L258 HydrophobicContact CG1-CD2 4.39Å; V183-I289 HydrophobicContact CG1-CD1 4.34Å; V183-I289 HydrophobicContact CG1-CG2 4.05Å; V183-I289 HydrophobicContact CG2-CD1 4.46Å; V183-I289 HydrophobicContact CG2-CG2 4.11Å; V183-I289 WeakPolarHBondContact CG2-O 3.43Å; V183-Q292 HydrophobicContact CG2-CB 3.66Å; V183-A293 HydrophobicContact CG2-CB 4.06Å
184D98.5Very high96.7Very high5 Ų537.9 Ų37.93%0.02723%0.228CC..EExtended strand (participates in β ladder)trans-126.3138.5178.4-56.6-72.1000109.2F17 K21 L177 F186 L197 D199 K200 D201F17-D184 HydrophobicContact CE1-CB 4.4Å; F17-D184 HydrophobicContact CZ-CB 4.16Å; F17-D184 WeakPolarHBondContact CZ-OD2 3.43Å; K21-D184 IonicContact NZ-OD2 2.81Å; K21-D184 PolarHBondContact NZ-OD2 2.95Å; L177-D184 PolarHBondContact N-O 2.84Å; L177-D184 PolarHBondContact O-N 2.78Å; D184-F186 HydrophobicContact CB-CE2 3.63Å; D184-F186 HydrophobicContact CB-CZ 3.89Å; D184-L197 HydrophobicContact CB-CD1 3.98Å; D184-D199 WeakPolarHBondContact CA-O 3.48Å; D184-K200 WeakPolarHBondContact OD1-CA 3.41Å; D184-K200 WeakPolarHBondContact OD1-CG 3.4Å; D184-D201 PolarHBondContact OD1-N 3.36Å
185C98.5Very high96.6Very high0 Ų037.2 Ų37.20%022%0.224CC..EExtended strand (participates in β ladder)trans-110.4132.5179.7-67.40000110.8L174 V175 V198 D199L174-C185 HydrophobicContact CD1-CB 4.05Å; L174-C185 HydrophobicContact CD2-CB 4.35Å; L174-C185 HydrophobicContact CG-CB 4.36Å; V175-C185 WeakPolarHBondContact O-CA 3.46Å; C185-V198 HydrophobicContact CB-CG2 4.22Å; C185-V198 WeakPolarHBondContact O-CG2 3.49Å; C185-V198 PolarHBondContact O-N 3Å; C185-D199 HydrophobicContact CB-CB 3.98Å; C185-D199 PolarHBondContact N-O 2.94Å; C185-D199 PolarHBondContact O-N 3.4Å
186F98.4Very high96.6Very high0 Ų038.5 Ų38.50%023%0.231CC..EExtended strand (participates in β ladder)trans-124.8130.1-179.6-54-101.4000110.1L14 F17 L174 V175 L177 D184 F195 I196 L197L14-F186 HydrophobicContact CB-CB 4.39Å; L14-F186 HydrophobicContact CB-CD1 3.59Å; L14-F186 HydrophobicContact CB-CE1 3.96Å; L14-F186 HydrophobicContact CB-CG 3.92Å; L14-F186 HydrophobicContact CD1-CB 3.84Å; L14-F186 HydrophobicContact CD1-CD1 4.16Å; L14-F186 HydrophobicContact CD1-CD2 3.61Å; L14-F186 HydrophobicContact CD1-CE2 4.22Å; L14-F186 HydrophobicContact CD1-CG 3.6Å; L14-F186 HydrophobicContact CG-CB 4.39Å; L14-F186 HydrophobicContact CG-CD1 3.77Å; L14-F186 HydrophobicContact CG-CD2 3.8Å; L14-F186 HydrophobicContact CG-CE1 3.96Å; L14-F186 HydrophobicContact CG-CE2 3.99Å; L14-F186 HydrophobicContact CG-CG 3.72Å; L14-F186 HydrophobicContact CG-CZ 4.08Å; F17-F186 HydrophobicContact CB-CE1 3.93Å; F17-F186 HydrophobicContact CB-CZ 4.09Å; F17-F186 HydrophobicContact CD1-CE1 4.24Å; F17-F186 HydrophobicContact CD1-CE2 4.41Å; F17-F186 AromaticContact CD1-CZ 3.51Å; F17-F186 HydrophobicContact CD1-CZ 3.51Å; F17-F186 HydrophobicContact CD2-CE1 4.42Å; F17-F186 HydrophobicContact CD2-CZ 4.18Å; F17-F186 AromaticContact CE1-CZ 3.87Å; F17-F186 HydrophobicContact CE1-CZ 3.87Å; F17-F186 AromaticContact CG-CE1 3.96Å; F17-F186 HydrophobicContact CG-CE1 3.96Å; F17-F186 AromaticContact CG-CZ 3.66Å; F17-F186 HydrophobicContact CG-CZ 3.66Å; F17-F186 HydrophobicContact CZ-CZ 4.34Å; L174-F186 CarbonylContact C-O 3.55Å; L174-F186 VanDerWaalsContact CA-O 3.28Å; L174-F186 WeakPolarHBondContact CA-O 3.26Å; V175-F186 PolarHBondContact N-O 2.84Å; V175-F186 PolarHBondContact O-N 3.42Å; L177-F186 HydrophobicContact CB-CE2 4.4Å; D184-F186 HydrophobicContact CB-CE2 3.63Å; D184-F186 HydrophobicContact CB-CZ 3.89Å; F186-F195 HydrophobicContact CB-CB 3.9Å; F186-F195 HydrophobicContact CB-CD1 4.39Å; F186-I196 CarbonylContact C-O 3.56Å; F186-I196 WeakPolarHBondContact CA-O 3.47Å; F186-L197 HydrophobicContact CD1-CB 3.87Å; F186-L197 HydrophobicContact CD1-CD1 4.1Å; F186-L197 HydrophobicContact CE1-CB 3.78Å; F186-L197 HydrophobicContact CE1-CD1 3.66Å; F186-L197 HydrophobicContact CE1-CG 4.28Å; F186-L197 HydrophobicContact CE2-CD1 4.29Å; F186-L197 HydrophobicContact CZ-CD1 3.75Å
187M98.4Very high96.5Very high84 Ų8440.2 Ų40.241%0.41424%0.24SC..EExtended strand (participates in β ladder)trans-99.6136.8178.5-169.7162.965.800110.3A172 D189 F195 I196 V198A172-M187 HydrophobicContact CB-CG 4.31Å; A172-M187 HydrophobicContact CB-SD 3.9Å; M187-D189 PolarHBondContact O-N 3.01Å; M187-F195 CarbonylContact O-C 3.43Å; M187-F195 WeakPolarHBondContact O-CA 3.09Å; M187-I196 PolarHBondContact N-O 3.28Å; M187-I196 PolarHBondContact O-N 2.88Å; M187-V198 HydrophobicContact CB-CG1 3.67Å; M187-V198 HydrophobicContact CB-CG2 4.06Å; M187-V198 HydrophobicContact CE-CG1 4.16Å
188L98.4Very high96.4Very high17 Ų1743.1 Ų43.19%0.08926%0.257CS..EExtended strand (participates in β ladder)trans-72.5120.1175-178.861.5000109.5K44 S47 T173 P190 F195K44-L188 HydrophobicContact CD-CD1 4.04Å; K44-L188 HydrophobicContact CG-CD1 4.01Å; S47-L188 WeakPolarHBondContact OG-CD2 3.19Å; T173-L188 HydrophobicContact CG2-CB 4.14Å; T173-L188 HydrophobicContact CG2-CD2 4.14Å; T173-L188 PolarHBondContact O-N 3.4Å; L188-P190 VanDerWaalsContact O-CD 3.28Å; L188-P190 WeakPolarHBondContact O-CD 3.44Å; L188-F195 HydrophobicContact CB-CD1 3.92Å; L188-F195 HydrophobicContact CB-CE1 3.61Å; L188-F195 HydrophobicContact CB-CZ 4.18Å; L188-F195 HydrophobicContact CD1-CD1 4.47Å; L188-F195 HydrophobicContact CD1-CD2 4.45Å; L188-F195 HydrophobicContact CD1-CE1 4.32Å; L188-F195 HydrophobicContact CD1-CE2 4.3Å; L188-F195 HydrophobicContact CD1-CZ 4.21Å; L188-F195 HydrophobicContact CG-CE1 4.43Å
189D97.1Very high96.4Very high55 Ų5546.1 Ų46.129%0.29427%0.274SS..EExtended strand (participates in β ladder)trans-79.9111.6158.6-175-41.6000108.2M187 A191 L192 G193 E194 I196M187-D189 PolarHBondContact O-N 3.01Å; D189-A191 VanDerWaalsContact C-N 3.29Å; D189-A191 PolarHBondContact O-N 2.83Å; D189-A191 WeakPolarHBondContact OD1-CA 3.2Å; D189-A191 WeakPolarHBondContact OD1-CB 3.47Å; D189-A191 PolarHBondContact OD1-N 3.16Å; D189-L192 HydrophobicContact CB-CB 4.18Å; D189-L192 HydrophobicContact CB-CD1 4.36Å; D189-L192 HydrophobicContact CB-CG 4.39Å; D189-L192 PolarHBondContact OD1-N 2.79Å; D189-G193 WeakPolarHBondContact O-CA 3.5Å; D189-G193 PolarHBondContact O-N 3.34Å; D189-E194 PolarHBondContact N-O 2.97Å; D189-E194 PolarHBondContact O-N 3Å; D189-I196 HydrophobicContact CB-CG1 4.46Å
190P94.4Very high96.5Very high101 Ų10151.5 Ų51.566%0.65629%0.293SS*.THydrogen-bonded Turntrans-71.2-22.6-177.3-17.833.2000113.9L188L188-P190 VanDerWaalsContact O-CD 3.28Å; L188-P190 WeakPolarHBondContact O-CD 3.44Å
191A94.9Very high96.7Very high96 Ų9653.9 Ų53.979%0.79330%0.299SS*.THydrogen-bonded Turntrans-78.1-38.1179.800000111.1D189D189-A191 VanDerWaalsContact C-N 3.29Å; D189-A191 PolarHBondContact O-N 2.83Å; D189-A191 WeakPolarHBondContact OD1-CA 3.2Å; D189-A191 WeakPolarHBondContact OD1-CB 3.47Å; D189-A191 PolarHBondContact OD1-N 3.16Å
192L93.9Very high97Very high99 Ų9947.4 Ų47.452%0.51827%0.269SS..THydrogen-bonded Turntrans-86.3-26.5176.7-59179.4000112.8M11 D189 E194M11-L192 HydrophobicContact CE-CD1 4.34Å; D189-L192 HydrophobicContact CB-CB 4.18Å; D189-L192 HydrophobicContact CB-CD1 4.36Å; D189-L192 HydrophobicContact CB-CG 4.39Å; D189-L192 PolarHBondContact OD1-N 2.79Å; L192-E194 VanDerWaalsContact C-N 3.28Å; L192-E194 HydrophobicContact CB-CB 4.17Å; L192-E194 HydrophobicContact CB-CG 4.37Å
193G95.4Very high97.1Very high23 Ų2352.5 Ų52.524%0.23729%0.29CS..THydrogen-bonded Turntrans70.327.3-170.500000112.7K44 D189K44-G193 WeakPolarHBondContact CD-O 3.35Å; K44-G193 PolarHBondContact NZ-O 3.27Å; D189-G193 WeakPolarHBondContact O-CA 3.5Å; D189-G193 PolarHBondContact O-N 3.34Å
194E96.2Very high97.2Very high65 Ų6553.1 Ų53.130%0.30429%0.293SS..EExtended strand (participates in β ladder)trans-120.3143.9-175.3-75.5-59.9147.100111.8D189 L192 I196D189-E194 PolarHBondContact N-O 2.97Å; D189-E194 PolarHBondContact O-N 3Å; L192-E194 VanDerWaalsContact C-N 3.28Å; L192-E194 HydrophobicContact CB-CB 4.17Å; L192-E194 HydrophobicContact CB-CG 4.37Å; E194-I196 HydrophobicContact CB-CD1 4.05Å
195F98Very high97.2Very high4 Ų458.3 Ų58.32%0.01832%0.316CS..EExtended strand (participates in β ladder)trans-90.8115.9173.1-78.4-75.3000109.4T13 L14 L40 I43 K44 T173 V175 F186 M187 L188T13-F195 CarbonylContact C-O 3.59Å; T13-F195 VanDerWaalsContact CA-O 3.25Å; T13-F195 WeakPolarHBondContact CA-O 3.38Å; L14-F195 HydrophobicContact CB-CB 3.65Å; L14-F195 HydrophobicContact CD1-CB 3.92Å; L14-F195 HydrophobicContact CD1-CG 4.25Å; L14-F195 HydrophobicContact CG-CB 4.45Å; L14-F195 PolarHBondContact N-O 3.45Å; L40-F195 HydrophobicContact CB-CD2 4.38Å; L40-F195 HydrophobicContact CB-CE2 4.27Å; L40-F195 HydrophobicContact CD2-CD2 4.05Å; L40-F195 HydrophobicContact CD2-CE2 4.08Å; I43-F195 HydrophobicContact CG2-CE2 4.4Å; I43-F195 HydrophobicContact CG2-CZ 3.77Å; K44-F195 HydrophobicContact CD-CE2 4.3Å; K44-F195 HydrophobicContact CG-CE2 3.73Å; K44-F195 HydrophobicContact CG-CZ 4.28Å; T173-F195 HydrophobicContact CG2-CE1 4.05Å; T173-F195 HydrophobicContact CG2-CZ 4.24Å; V175-F195 HydrophobicContact CB-CD1 4.41Å; V175-F195 HydrophobicContact CB-CE1 4.26Å; V175-F195 HydrophobicContact CG2-CD1 4.09Å; V175-F195 HydrophobicContact CG2-CE1 3.52Å; V175-F195 HydrophobicContact CG2-CE2 4.3Å; V175-F195 HydrophobicContact CG2-CZ 3.65Å; F186-F195 HydrophobicContact CB-CB 3.9Å; F186-F195 HydrophobicContact CB-CD1 4.39Å; M187-F195 CarbonylContact O-C 3.43Å; M187-F195 WeakPolarHBondContact O-CA 3.09Å; L188-F195 HydrophobicContact CB-CD1 3.92Å; L188-F195 HydrophobicContact CB-CE1 3.61Å; L188-F195 HydrophobicContact CB-CZ 4.18Å; L188-F195 HydrophobicContact CD1-CD1 4.47Å; L188-F195 HydrophobicContact CD1-CD2 4.45Å; L188-F195 HydrophobicContact CD1-CE1 4.32Å; L188-F195 HydrophobicContact CD1-CE2 4.3Å; L188-F195 HydrophobicContact CD1-CZ 4.21Å; L188-F195 HydrophobicContact CG-CE1 4.43Å
196I97.4Very high97.2Very high29 Ų2965.7 Ų65.715%0.14935%0.348CS..EExtended strand (participates in β ladder)trans-103.3134-177.9-48.9-55.9000109.4M11 T13 F186 M187 D189 E194 V198M11-I196 HydrophobicContact CB-CD1 4.44Å; M11-I196 HydrophobicContact CB-CG2 4.3Å; M11-I196 HydrophobicContact SD-CD1 4.5Å; T13-I196 HydrophobicContact CG2-CD1 3.88Å; F186-I196 CarbonylContact C-O 3.56Å; F186-I196 WeakPolarHBondContact CA-O 3.47Å; M187-I196 PolarHBondContact N-O 3.28Å; M187-I196 PolarHBondContact O-N 2.88Å; D189-I196 HydrophobicContact CB-CG1 4.46Å; E194-I196 HydrophobicContact CB-CD1 4.05Å; I196-V198 PolarHBondContact O-N 3.47Å
197L97.1Very high97.2Very high36 Ų3670.3 Ų70.319%0.18837%0.368CS..EExtended strand (participates in β ladder)trans-60.5125.4176-178.368.8000110.2L12 D184 F186 D199 K200L12-L197 HydrophobicContact CB-CB 4.31Å; L12-L197 HydrophobicContact CD2-CD2 3.75Å; L12-L197 HydrophobicContact CG-CD2 4.35Å; L12-L197 WeakPolarHBondContact O-CB 3.38Å; L12-L197 PolarHBondContact O-N 2.88Å; D184-L197 HydrophobicContact CB-CD1 3.98Å; F186-L197 HydrophobicContact CD1-CB 3.87Å; F186-L197 HydrophobicContact CD1-CD1 4.1Å; F186-L197 HydrophobicContact CE1-CB 3.78Å; F186-L197 HydrophobicContact CE1-CD1 3.66Å; F186-L197 HydrophobicContact CE1-CG 4.28Å; F186-L197 HydrophobicContact CE2-CD1 4.29Å; F186-L197 HydrophobicContact CZ-CD1 3.75Å; L197-D199 WeakPolarHBondContact CD1-O 3.39Å; L197-K200 HydrophobicContact CD1-CB 4.48Å; L197-K200 HydrophobicContact CD2-CB 4.16Å; L197-K200 HydrophobicContact CD2-CD 4.34Å; L197-K200 HydrophobicContact CD2-CG 4.33Å
198V97.1Very high97.1Very high65 Ų6566.7 Ų66.739%0.39435%0.352SS..EExtended strand (participates in β ladder)trans-118.5-33.5179-690000112.6C185 M187 I196C185-V198 HydrophobicContact CB-CG2 4.22Å; C185-V198 WeakPolarHBondContact O-CG2 3.49Å; C185-V198 PolarHBondContact O-N 3Å; M187-V198 HydrophobicContact CB-CG1 3.67Å; M187-V198 HydrophobicContact CB-CG2 4.06Å; M187-V198 HydrophobicContact CE-CG1 4.16Å; I196-V198 PolarHBondContact O-N 3.47Å
199D97.1Very high97.1Very high64 Ų6474.1 Ų74.134%0.34238%0.383SS..EExtended strand (participates in β ladder)trans-132.8127.6173.4-52.1-84000109.7D184 C185 L197 V202D184-D199 WeakPolarHBondContact CA-O 3.48Å; C185-D199 HydrophobicContact CB-CB 3.98Å; C185-D199 PolarHBondContact N-O 2.94Å; C185-D199 PolarHBondContact O-N 3.4Å; L197-D199 WeakPolarHBondContact CD1-O 3.39Å; D199-V202 HydrophobicContact CB-CG2 3.64Å
200K96.8Very high97.2Very high151 Ų15172.9 Ų72.966%0.65738%0.378SS*.SBendtrans-110.7139.5-178.6-171.9-179.3178.3179.10110.5D184 L197 V202D184-K200 WeakPolarHBondContact OD1-CA 3.41Å; D184-K200 WeakPolarHBondContact OD1-CG 3.4Å; L197-K200 HydrophobicContact CD1-CB 4.48Å; L197-K200 HydrophobicContact CD2-CB 4.16Å; L197-K200 HydrophobicContact CD2-CD 4.34Å; L197-K200 HydrophobicContact CD2-CG 4.33Å; K200-V202 VanDerWaalsContact C-N 3.32Å; K200-V202 PolarHBondContact O-N 3.29Å
201D97.1Very high97.4Very high84 Ų8468.6 Ų68.645%0.44935%0.349SS..SBendtrans47.452.2179.7-168.237.2000113.3V183 D184 K203V183-D201 CarbonylContact O-C 3.48Å; V183-D201 VanDerWaalsContact O-CA 3.27Å; V183-D201 WeakPolarHBondContact O-CA 3.36Å; V183-D201 PolarHBondContact O-N 3.13Å; V183-D201 VanDerWaalsContact O-N 3.17Å; D184-D201 PolarHBondContact OD1-N 3.36Å; D201-K203 VanDerWaalsContact CG-CE 3.48Å; D201-K203 PolarHBondContact O-N 2.89Å; D201-K203 WeakPolarHBondContact OD1-CE 3.42Å; D201-K203 IonicContact OD1-NZ 2.64Å; D201-K203 PolarHBondContact OD1-NZ 3.46Å; D201-K203 WeakPolarHBondContact OD2-CE 3.09Å; D201-K203 IonicContact OD2-NZ 3.68Å
202V98.4Very high97.6Very high13 Ų1364.1 Ų64.18%0.07931%0.311CS..  trans-55.4130.2-179.7177.40000110.4V183 D199 K200 L258 M259 A293V183-V202 HydrophobicContact CB-CB 4.27Å; V183-V202 HydrophobicContact CG1-CB 4.43Å; V183-V202 PolarHBondContact O-N 3.41Å; D199-V202 HydrophobicContact CB-CG2 3.64Å; K200-V202 VanDerWaalsContact C-N 3.32Å; K200-V202 PolarHBondContact O-N 3.29Å; V202-L258 HydrophobicContact CG1-CD1 4.1Å; V202-L258 HydrophobicContact CG1-CD2 4.31Å; V202-L258 HydrophobicContact CG1-CG 3.98Å; V202-M259 HydrophobicContact CG1-SD 4Å; V202-A293 WeakPolarHBondContact O-CA 3.35Å; V202-A293 WeakPolarHBondContact O-CB 3.37Å
203K98.6Very high97.8Very high112 Ų11259.9 Ų59.949%0.48729%0.289SS..  trans-120.1130.6173.7-58.5-59.2170.5-157.80110.9D201 A293D201-K203 VanDerWaalsContact CG-CE 3.48Å; D201-K203 PolarHBondContact O-N 2.89Å; D201-K203 WeakPolarHBondContact OD1-CE 3.42Å; D201-K203 IonicContact OD1-NZ 2.64Å; D201-K203 PolarHBondContact OD1-NZ 3.46Å; D201-K203 WeakPolarHBondContact OD2-CE 3.09Å; D201-K203 IonicContact OD2-NZ 3.68Å; K203-A293 WeakPolarHBondContact CA-O 3.5Å
204I98.6Very high97.9Very high13 Ų1361.3 Ų61.37%0.06729%0.291CS..  trans-74.2146.9173.1-163.1168000109.8T257 L258 A293 G295 G321I204-T257 HydrophobicContact CD1-CG2 4.27Å; I204-T257 WeakPolarHBondContact CD1-O 3.38Å; I204-L258 HydrophobicContact CB-CD1 4.42Å; I204-A293 HydrophobicContact CB-CB 4.49Å; I204-A293 PolarHBondContact N-O 2.99Å; I204-G295 VanDerWaalsContact CG2-CA 3.48Å; I204-G295 VanDerWaalsContact CG2-N 3.35Å; I204-G321 VanDerWaalsContact CD1-C 3.45Å
205K98.7Very high98Very high114 Ų11461 Ų6150%0.49629%0.29SS..  trans-66.6147.1175.2-61.2180-168.3157.50110.3K207 Y260 S322K205-K207 VanDerWaalsContact C-N 3.34Å; K205-K207 PolarHBondContact O-N 2.79Å; K205-Y260 WeakPolarHBondContact CD-O 3.08Å; K205-Y260 PolarHBondContact NZ-O 2.8Å; K205-S322 WeakPolarHBondContact O-CA 3.43Å; K205-S322 WeakPolarHBondContact O-CB 3.28Å; K205-S322 PolarHBondContact O-OG 3.48Å
206K98.7Very high98Very high155 Ų15563.9 Ų63.967%0.67432%0.321SS*.SBendtrans-59.6-41.2176.7-68.2-168.6175.1-173.50113.5S322 P323 D324K206-S322 CarbonylContact O-C 3.51Å; K206-S322 WeakPolarHBondContact O-CB 3.42Å; K206-P323 HydrophobicContact CB-CG 4.43Å; K206-P323 VanDerWaalsContact O-CD 3.26Å; K206-P323 WeakPolarHBondContact O-CD 3.27Å; K206-D324 WeakPolarHBondContact CB-OD2 3.5Å; K206-D324 VanDerWaalsContact O-CB 3.22Å; K206-D324 WeakPolarHBondContact O-CB 3.45Å; K206-D324 VanDerWaalsContact O-CG 3.28Å; K206-D324 PolarHBondContact O-N 3.42Å
207K98.4Very high97.9Very high97 Ų9765.8 Ų65.842%0.42233%0.327SS..SBendtrans-135137.4174.8-161.5176.8-174.968.10109.7K205 Y242 D324 D325 E328K205-K207 VanDerWaalsContact C-N 3.34Å; K205-K207 PolarHBondContact O-N 2.79Å; K207-Y242 WeakPolarHBondContact CE-OH 3.32Å; K207-Y242 PolarHBondContact NZ-OH 2.98Å; K207-D324 HydrophobicContact CB-CB 3.99Å; K207-D324 HydrophobicContact CG-CB 4.18Å; K207-D325 WeakPolarHBondContact CG-OD1 3.33Å; K207-D325 IonicContact NZ-OD1 3.6Å; K207-E328 IonicContact NZ-OE2 2.97Å; K207-E328 PolarHBondContact NZ-OE2 3.49Å
208G97.6Very high97.9Very high7 Ų766.7 Ų66.77%0.07234%0.34CS..  trans-101.7-164.3176.800000114Y242 D325G208-Y242 PolarHBondContact O-OH 3.33Å; G208-D325 PolarHBondContact N-OD2 3.1Å
209K98Very high97.9Very high174 Ų17471.7 Ų71.776%0.75736%0.356SS*.SBendtrans-135.513177.5-60.7-174.3178.9-175.80112.5Y242 G243K209-Y242 WeakPolarHBondContact O-CA 3.44Å; K209-G243 PolarHBondContact O-N 3.31Å
210T98.7Very high97.8Very high29 Ų2971 Ų7118%0.17835%0.349CS..EExtended strand (participates in β ladder)trans-136.1145.1-177.756.60000111.3G243 R245 G261 G262 I263T210-G243 WeakPolarHBondContact CA-O 3.45Å; T210-G243 WeakPolarHBondContact CB-O 3.46Å; T210-R245 HydrophobicContact CG2-CG 4.36Å; T210-G261 PolarHBondContact OG1-O 3.18Å; T210-G262 VanDerWaalsContact O-CA 3.25Å; T210-G262 WeakPolarHBondContact O-CA 3.48Å; T210-I263 PolarHBondContact O-N 2.73Å; T210-I263 VanDerWaalsContact O-N 3.09Å
211Y98.8Very high97.7Very high11 Ų1164.8 Ų64.84%0.04332%0.322CS..EExtended strand (participates in β ladder)trans-118.5147.8166.171.4-89.1000109.9E215 L229 K232 K233 G243 A244 R245 I263 M265Y211-E215 HydrophobicContact CE2-CG 4.49Å; Y211-E215 WeakPolarHBondContact CE2-OE1 3.12Å; Y211-E215 VanDerWaalsContact CZ-OE1 3.29Å; Y211-E215 PolarHBondContact OH-OE1 2.92Å; Y211-L229 HydrophobicContact CD2-CD2 3.81Å; Y211-L229 HydrophobicContact CE2-CD2 3.81Å; Y211-K232 HydrophobicContact CD1-CB 4Å; Y211-K232 HydrophobicContact CD1-CG 4.48Å; Y211-K232 HydrophobicContact CE1-CB 4.31Å; Y211-K233 WeakPolarHBondContact OH-CE 3.24Å; Y211-G243 PolarHBondContact N-O 3.04Å; Y211-G243 VanDerWaalsContact N-O 3.16Å; Y211-A244 HydrophobicContact CE1-CB 3.98Å; Y211-A244 HydrophobicContact CE2-CB 4.03Å; Y211-R245 PolarHBondContact O-N 3.17Å; Y211-I263 CarbonylContact C-O 3.48Å; Y211-I263 WeakPolarHBondContact CA-O 3.45Å; Y211-M265 HydrophobicContact CD2-CE 4.25Å
212S98.8Very high97.5Very high1 Ų163.4 Ų63.41%0.00731%0.314CS..EExtended strand (participates in β ladder)trans-129112.8-179.5-1670000110.8R245 D253 R256 I263 M265S212-R245 WeakPolarHBondContact CA-O 3.49Å; S212-R245 WeakPolarHBondContact CB-O 3.32Å; S212-R245 PolarHBondContact OG-O 3.09Å; S212-D253 PolarHBondContact OG-OD1 3.37Å; S212-R256 PolarHBondContact OG-NH2 2.98Å; S212-I263 PolarHBondContact N-O 3.38Å; S212-M265 PolarHBondContact O-N 3.46Å
213L98.1Very high97.4Very high10 Ų1066.6 Ų66.65%0.05234%0.336CS..  trans-161.8144.6-176.1175.768.3000109.5E215 F221 M225 L229 M265 P267L213-E215 PolarHBondContact O-N 2.87Å; L213-E215 VanDerWaalsContact O-N 3.12Å; L213-F221 HydrophobicContact CD1-CE1 4.09Å; L213-F221 HydrophobicContact CD1-CZ 3.88Å; L213-F221 HydrophobicContact CD2-CE1 4.28Å; L213-F221 HydrophobicContact CD2-CE2 3.64Å; L213-F221 HydrophobicContact CD2-CZ 3.5Å; L213-F221 HydrophobicContact CG-CE1 4.46Å; L213-F221 HydrophobicContact CG-CE2 4.35Å; L213-F221 HydrophobicContact CG-CZ 3.76Å; L213-M225 HydrophobicContact CD2-CG 4.33Å; L213-M225 HydrophobicContact CD2-SD 3.9Å; L213-L229 HydrophobicContact CD2-CD1 3.43Å; L213-L229 VanDerWaalsContact CD2-CD1 3.43Å; L213-L229 HydrophobicContact CD2-CD2 3.65Å; L213-L229 HydrophobicContact CD2-CG 3.96Å; L213-M265 HydrophobicContact CB-CB 4.35Å; L213-M265 HydrophobicContact CB-CE 4.03Å; L213-M265 HydrophobicContact CD1-CB 3.97Å; L213-M265 WeakPolarHBondContact CD1-O 3.35Å; L213-M265 HydrophobicContact CD2-CE 4.33Å; L213-P267 HydrophobicContact CD1-CG 4.17Å
214N97.8Very high97.3Very high53 Ų5361.5 Ų61.528%0.28331%0.314SS..  trans-77.193.4168.2-172.7-12000111G216 Y217 F221 Y246N214-G216 PolarHBondContact O-N 3.09Å; N214-G216 VanDerWaalsContact O-N 3.14Å; N214-G216 WeakPolarHBondContact OD1-CA 3.34Å; N214-G216 PolarHBondContact OD1-N 3.46Å; N214-Y217 HydrophobicContact CB-CD2 3.89Å; N214-Y217 HydrophobicContact CB-CE2 4.03Å; N214-Y217 WeakPolarHBondContact ND2-CE2 3.37Å; N214-Y217 PolarHBondContact O-N 2.71Å; N214-F221 WeakPolarHBondContact O-CZ 3.34Å; N214-Y246 HydrophobicContact CB-CD1 4.29Å; N214-Y246 HydrophobicContact CB-CE1 3.66Å; N214-Y246 HydrophobicContact CB-CE2 4.17Å
215E98.1Very high97.2Very high59 Ų5960.9 Ų60.928%0.27631%0.311SS..G310 helixtrans-66.4-8.9177.6-68.7-157.6-138.500114.9Y211 L213 Y217 A218 K233Y211-E215 HydrophobicContact CE2-CG 4.49Å; Y211-E215 WeakPolarHBondContact CE2-OE1 3.12Å; Y211-E215 VanDerWaalsContact CZ-OE1 3.29Å; Y211-E215 PolarHBondContact OH-OE1 2.92Å; L213-E215 PolarHBondContact O-N 2.87Å; L213-E215 VanDerWaalsContact O-N 3.12Å; E215-Y217 PolarHBondContact O-N 3.09Å; E215-Y217 VanDerWaalsContact O-N 3.08Å; E215-A218 VanDerWaalsContact O-CB 3.22Å; E215-A218 WeakPolarHBondContact O-CB 3.47Å; E215-A218 PolarHBondContact O-N 2.77Å; E215-K233 VanDerWaalsContact OE1-CE 3.23Å; E215-K233 WeakPolarHBondContact OE1-CE 3.24Å; E215-K233 IonicContact OE1-NZ 3.59Å; E215-K233 PolarHBondContact OE1-NZ 2.79Å; E215-K233 WeakPolarHBondContact OE2-CE 3.42Å; E215-K233 IonicContact OE2-NZ 2.78Å; E215-K233 PolarHBondContact OE2-NZ 3.02Å
216G97.4Very high97.1Very high65 Ų6558.8 Ų58.867%0.6731%0.308SS*.G310 helixtrans-59.1-18.4169.900000113.3N214N214-G216 PolarHBondContact O-N 3.09Å; N214-G216 VanDerWaalsContact O-N 3.14Å; N214-G216 WeakPolarHBondContact OD1-CA 3.34Å; N214-G216 PolarHBondContact OD1-N 3.46Å
217Y97Very high97.1Very high68 Ų6853 Ų5327%0.26728%0.284SS..G310 helixtrans-89.69.7173.2-61.9-60.5000114.4N214 E215 K219 Y220 F221N214-Y217 HydrophobicContact CB-CD2 3.89Å; N214-Y217 HydrophobicContact CB-CE2 4.03Å; N214-Y217 WeakPolarHBondContact ND2-CE2 3.37Å; N214-Y217 PolarHBondContact O-N 2.71Å; E215-Y217 PolarHBondContact O-N 3.09Å; E215-Y217 VanDerWaalsContact O-N 3.08Å; Y217-K219 PolarHBondContact O-N 2.92Å; Y217-Y220 HydrophobicContact CD1-CD2 4.23Å; Y217-Y220 WeakPolarHBondContact O-CA 3.46Å; Y217-Y220 PolarHBondContact O-N 3.35Å; Y217-F221 VanDerWaalsContact CB-CE1 3.48Å; Y217-F221 PolarHBondContact O-N 3.22Å
218A96.4Very high97.1Very high56 Ų5648.4 Ų48.446%0.46326%0.263SS..G310 helixtrans-49.2-38.3-176.700000114.5E215 Y220 F221E215-A218 VanDerWaalsContact O-CB 3.22Å; E215-A218 WeakPolarHBondContact O-CB 3.47Å; E215-A218 PolarHBondContact O-N 2.77Å; A218-Y220 PolarHBondContact O-N 3.16Å; A218-F221 VanDerWaalsContact CA-CD2 3.48Å; A218-F221 HydrophobicContact CB-CD2 4.38Å; A218-F221 HydrophobicContact CB-CE2 4.31Å
219K96.1Very high97.1Very high169 Ų16948.6 Ų48.674%0.73526%0.262SS*.G310 helixtrans-60.9-24.7176.5-179.6174.1178.1176.60113.9Y217Y217-K219 PolarHBondContact O-N 2.92Å
220Y95.3Very high97.1Very high51 Ų5145.2 Ų45.220%0.225%0.25CC..G310 helixtrans-112.6-1.7-170.3-52.4-64.6000113.8Y217 A218 N269 Q270 K271Y217-Y220 HydrophobicContact CD1-CD2 4.23Å; Y217-Y220 WeakPolarHBondContact O-CA 3.46Å; Y217-Y220 PolarHBondContact O-N 3.35Å; A218-Y220 PolarHBondContact O-N 3.16Å; Y220-N269 WeakPolarHBondContact O-CB 3.26Å; Y220-Q270 HydrophobicContact CD1-CB 4.18Å; Y220-K271 HydrophobicContact CE2-CD 4.17Å; Y220-K271 VanDerWaalsContact CZ-CE 3.46Å; Y220-K271 VanDerWaalsContact OH-CE 3.26Å; Y220-K271 WeakPolarHBondContact OH-CE 3.49Å; Y220-K271 PolarHBondContact OH-NZ 3.1Å
221F94.4Very high97.1Very high19 Ų1947.7 Ų47.78%0.08326%0.258CS..  trans-66.4147.3176.8-67.7-29.5000111.2L213 N214 Y217 A218 M225 L229 P267L213-F221 HydrophobicContact CD1-CE1 4.09Å; L213-F221 HydrophobicContact CD1-CZ 3.88Å; L213-F221 HydrophobicContact CD2-CE1 4.28Å; L213-F221 HydrophobicContact CD2-CE2 3.64Å; L213-F221 HydrophobicContact CD2-CZ 3.5Å; L213-F221 HydrophobicContact CG-CE1 4.46Å; L213-F221 HydrophobicContact CG-CE2 4.35Å; L213-F221 HydrophobicContact CG-CZ 3.76Å; N214-F221 WeakPolarHBondContact O-CZ 3.34Å; Y217-F221 VanDerWaalsContact CB-CE1 3.48Å; Y217-F221 PolarHBondContact O-N 3.22Å; A218-F221 VanDerWaalsContact CA-CD2 3.48Å; A218-F221 HydrophobicContact CB-CD2 4.38Å; A218-F221 HydrophobicContact CB-CE2 4.31Å; F221-M225 HydrophobicContact CB-CB 4.17Å; F221-M225 HydrophobicContact CB-CG 4.13Å; F221-M225 HydrophobicContact CD1-CG 4.17Å; F221-M225 HydrophobicContact CD2-CG 4.09Å; F221-M225 HydrophobicContact CG-CB 4.47Å; F221-M225 HydrophobicContact CG-CG 3.88Å; F221-L229 HydrophobicContact CD2-CD1 3.81Å; F221-L229 HydrophobicContact CE2-CD1 3.65Å; F221-P267 HydrophobicContact CD1-CG 4.15Å; F221-P267 HydrophobicContact CE1-CG 4.11Å
222D93.5Very high97Very high55 Ų5547.5 Ų47.529%0.29426%0.257SS..  trans-67.9164.8168.867.250.3000111.1A224 M225 T226D222-A224 VanDerWaalsContact C-N 3.28Å; D222-A224 PolarHBondContact O-N 3Å; D222-A224 WeakPolarHBondContact OD1-CA 3.46Å; D222-A224 WeakPolarHBondContact OD1-CB 3.39Å; D222-A224 PolarHBondContact OD1-N 2.9Å; D222-M225 PolarHBondContact O-N 2.81Å; D222-M225 WeakPolarHBondContact OD1-CB 3.27Å; D222-M225 PolarHBondContact OD1-N 2.88Å; D222-T226 PolarHBondContact O-N 2.87Å; D222-T226 PolarHBondContact O-OG1 2.86Å
223P95.8Very high97Very high81 Ų8150.8 Ų50.853%0.52627%0.271SS..Hα-helixtrans-59.9-33.4179.4-27.837.3000114.3T226 E227 H336P223-T226 PolarHBondContact O-N 2.8Å; P223-E227 WeakPolarHBondContact O-CB 3.29Å; P223-E227 PolarHBondContact O-N 3.49Å; P223-H336 WeakPolarHBondContact CB-ND1 3.38Å
224A96.5Very high97Very high4 Ų456.4 Ų56.43%0.03330%0.296CS..Hα-helixtrans-69.8-43.5-177.900000111.9D222 E227 Y228 C332 V333 H336D222-A224 VanDerWaalsContact C-N 3.28Å; D222-A224 PolarHBondContact O-N 3Å; D222-A224 WeakPolarHBondContact OD1-CA 3.46Å; D222-A224 WeakPolarHBondContact OD1-CB 3.39Å; D222-A224 PolarHBondContact OD1-N 2.9Å; A224-E227 PolarHBondContact O-N 2.85Å; A224-Y228 WeakPolarHBondContact O-CB 2.98Å; A224-Y228 PolarHBondContact O-N 2.87Å; A224-C332 HydrophobicContact CB-CB 4.22Å; A224-V333 HydrophobicContact CB-CB 4.42Å; A224-V333 HydrophobicContact CB-CG2 3.97Å; A224-H336 HydrophobicContact CB-CB 4.47Å
225M96.8Very high97Very high0 Ų055.5 Ų55.50%029%0.293CS..Hα-helixtrans-64-43.1173.7-177.455.867.200111L213 F221 D222 Y228 L229 M265 P267 I319 Y329L213-M225 HydrophobicContact CD2-CG 4.33Å; L213-M225 HydrophobicContact CD2-SD 3.9Å; F221-M225 HydrophobicContact CB-CB 4.17Å; F221-M225 HydrophobicContact CB-CG 4.13Å; F221-M225 HydrophobicContact CD1-CG 4.17Å; F221-M225 HydrophobicContact CD2-CG 4.09Å; F221-M225 HydrophobicContact CG-CB 4.47Å; F221-M225 HydrophobicContact CG-CG 3.88Å; D222-M225 PolarHBondContact O-N 2.81Å; D222-M225 WeakPolarHBondContact OD1-CB 3.27Å; D222-M225 PolarHBondContact OD1-N 2.88Å; M225-Y228 PolarHBondContact O-N 3.2Å; M225-L229 HydrophobicContact CG-CD1 4.3Å; M225-L229 WeakPolarHBondContact O-CG 3.4Å; M225-L229 PolarHBondContact O-N 2.75Å; M225-L229 HydrophobicContact SD-CD1 4.45Å; M225-L229 HydrophobicContact SD-CG 4.24Å; M225-M265 HydrophobicContact CE-CB 3.99Å; M225-M265 HydrophobicContact CE-CG 4.12Å; M225-M265 HydrophobicContact CE-SD 3.76Å; M225-M265 HydrophobicContact SD-CE 4.43Å; M225-M265 HydrophobicContact SD-SD 3.73Å; M225-P267 HydrophobicContact CE-CB 3.74Å; M225-P267 HydrophobicContact CE-CG 3.73Å; M225-P267 HydrophobicContact CG-CG 4.19Å; M225-I319 HydrophobicContact CE-CG1 4.49Å; M225-Y329 HydrophobicContact CE-CD2 4.09Å; M225-Y329 HydrophobicContact CE-CE2 3.39Å; M225-Y329 HydrophobicContact SD-CE2 4.31Å
226T97.3Very high96.8Very high70 Ų7062.3 Ų62.343%0.42933%0.325SS..Hα-helixtrans-60.7-46.7176.6-55.80000111.5D222 P223 L229 Q230D222-T226 PolarHBondContact O-N 2.87Å; D222-T226 PolarHBondContact O-OG1 2.86Å; P223-T226 PolarHBondContact O-N 2.8Å; T226-L229 PolarHBondContact O-N 2.7Å; T226-Q230 WeakPolarHBondContact O-CB 3.15Å; T226-Q230 PolarHBondContact O-N 3.05Å
227E97.9Very high96.6Very high35 Ų3565.4 Ų65.416%0.16433%0.325CS..Hα-helixtrans-61.2-45.4175.5179.7176.315600111.6P223 A224 Q230 K231 K335 H336P223-E227 WeakPolarHBondContact O-CB 3.29Å; P223-E227 PolarHBondContact O-N 3.49Å; A224-E227 PolarHBondContact O-N 2.85Å; E227-Q230 PolarHBondContact O-N 3.25Å; E227-K231 WeakPolarHBondContact O-CG 3.48Å; E227-K231 PolarHBondContact O-N 3.25Å; E227-K231 VanDerWaalsContact O-N 3.08Å; E227-K231 VanDerWaalsContact OE1-CE 3.3Å; E227-K231 WeakPolarHBondContact OE1-CE 3.42Å; E227-K231 IonicContact OE1-NZ 2.75Å; E227-K231 PolarHBondContact OE1-NZ 3.2Å; E227-K335 IonicContact OE1-NZ 2.6Å; E227-K335 PolarHBondContact OE1-NZ 2.89Å; E227-K335 IonicContact OE2-NZ 2.91Å; E227-K335 PolarHBondContact OE2-NZ 2.81Å; E227-H336 IonicContact OE2-CD2 3.63Å; E227-H336 IonicContact OE2-CE1 3.67Å; E227-H336 IonicContact OE2-NE2 3.59Å; E227-H336 PolarHBondContact OE2-NE2 2.96Å
228Y98.3Very high96.3Very high0 Ų065.8 Ų65.80%035%0.35CS..Hα-helixtrans-60.8-47.2179.6-177.2-103.6000111.8A224 M225 Q230 K231 K232 I263 M265 D325 E328 Y329A224-Y228 WeakPolarHBondContact O-CB 2.98Å; A224-Y228 PolarHBondContact O-N 2.87Å; M225-Y228 PolarHBondContact O-N 3.2Å; Y228-Q230 VanDerWaalsContact C-N 3.32Å; Y228-Q230 PolarHBondContact O-N 3.13Å; Y228-K231 PolarHBondContact O-N 2.8Å; Y228-K232 HydrophobicContact CD1-CG 4.26Å; Y228-K232 HydrophobicContact CE1-CD 4.2Å; Y228-K232 HydrophobicContact CE1-CG 3.85Å; Y228-K232 HydrophobicContact CE2-CD 4.32Å; Y228-K232 WeakPolarHBondContact O-CG 3.4Å; Y228-K232 PolarHBondContact O-N 3.24Å; Y228-I263 HydrophobicContact CE1-CD1 4.08Å; Y228-I263 HydrophobicContact CE1-CG2 4.03Å; Y228-M265 HydrophobicContact CD1-CE 4.26Å; Y228-M265 HydrophobicContact CD1-SD 3.7Å; Y228-M265 HydrophobicContact CE1-CE 4Å; Y228-M265 HydrophobicContact CE1-SD 3.59Å; Y228-M265 VanDerWaalsContact CE1-SD 3.59Å; Y228-D325 PolarHBondContact OH-O 2.9Å; Y228-E328 HydrophobicContact CD2-CG 4.42Å; Y228-E328 HydrophobicContact CE2-CB 4.05Å; Y228-E328 HydrophobicContact CE2-CG 4Å; Y228-Y329 HydrophobicContact CD1-CD2 4.3Å; Y228-Y329 HydrophobicContact CG-CD2 4.07Å
229L98Very high96.3Very high10 Ų1065.7 Ų65.75%0.05235%0.346CS..Hα-helixtrans-61.7-39.5176.8-70.7173000112.6Y211 L213 F221 M225 T226 K231 K232 K233 M265Y211-L229 HydrophobicContact CD2-CD2 3.81Å; Y211-L229 HydrophobicContact CE2-CD2 3.81Å; L213-L229 HydrophobicContact CD2-CD1 3.43Å; L213-L229 VanDerWaalsContact CD2-CD1 3.43Å; L213-L229 HydrophobicContact CD2-CD2 3.65Å; L213-L229 HydrophobicContact CD2-CG 3.96Å; F221-L229 HydrophobicContact CD2-CD1 3.81Å; F221-L229 HydrophobicContact CE2-CD1 3.65Å; M225-L229 HydrophobicContact CG-CD1 4.3Å; M225-L229 WeakPolarHBondContact O-CG 3.4Å; M225-L229 PolarHBondContact O-N 2.75Å; M225-L229 HydrophobicContact SD-CD1 4.45Å; M225-L229 HydrophobicContact SD-CG 4.24Å; T226-L229 PolarHBondContact O-N 2.7Å; L229-K231 VanDerWaalsContact C-N 3.32Å; L229-K231 PolarHBondContact O-N 2.7Å; L229-K232 PolarHBondContact O-N 3.38Å; L229-K233 WeakPolarHBondContact O-CG 3.17Å; L229-K233 PolarHBondContact O-N 3.03Å; L229-M265 HydrophobicContact CD2-CE 4.1Å
230Q98.1Very high96.3Very high104 Ų10462.4 Ų62.449%0.48635%0.345SS..Hα-helixtrans-60.6-44.3177.2-172.264.76.900110.9T226 E227 Y228 K232 K233 F234T226-Q230 WeakPolarHBondContact O-CB 3.15Å; T226-Q230 PolarHBondContact O-N 3.05Å; E227-Q230 PolarHBondContact O-N 3.25Å; Y228-Q230 VanDerWaalsContact C-N 3.32Å; Y228-Q230 PolarHBondContact O-N 3.13Å; Q230-K232 VanDerWaalsContact C-N 3.34Å; Q230-K232 PolarHBondContact O-N 3.31Å; Q230-K233 PolarHBondContact O-N 2.68Å; Q230-F234 VanDerWaalsContact CD-CD2 3.48Å; Q230-F234 HydrophobicContact CG-CD2 4.46Å; Q230-F234 PolarHBondContact O-N 3.03Å
231K97.8Very high96.5Very high80 Ų8063.9 Ų63.935%0.34836%0.36SS..Hα-helixtrans-62.2-37.5175.1-69.7176.6-176.1168.40113E227 Y228 L229 K233 P235 C332E227-K231 WeakPolarHBondContact O-CG 3.48Å; E227-K231 PolarHBondContact O-N 3.25Å; E227-K231 VanDerWaalsContact O-N 3.08Å; E227-K231 VanDerWaalsContact OE1-CE 3.3Å; E227-K231 WeakPolarHBondContact OE1-CE 3.42Å; E227-K231 IonicContact OE1-NZ 2.75Å; E227-K231 PolarHBondContact OE1-NZ 3.2Å; Y228-K231 PolarHBondContact O-N 2.8Å; L229-K231 VanDerWaalsContact C-N 3.32Å; L229-K231 PolarHBondContact O-N 2.7Å; K231-K233 VanDerWaalsContact C-N 3.34Å; K231-P235 WeakPolarHBondContact O-CA 3.41Å; K231-C332 PolarHBondContact NZ-SG 3.27Å
232K98.3Very high96.7Very high7 Ų764.3 Ų64.33%0.0336%0.362CS..Hα-helixtrans-68-33.2177.6-65.5-56114.8171.60112.8Y211 Y228 L229 Q230 P241 Y242 D325 E328Y211-K232 HydrophobicContact CD1-CB 4Å; Y211-K232 HydrophobicContact CD1-CG 4.48Å; Y211-K232 HydrophobicContact CE1-CB 4.31Å; Y228-K232 HydrophobicContact CD1-CG 4.26Å; Y228-K232 HydrophobicContact CE1-CD 4.2Å; Y228-K232 HydrophobicContact CE1-CG 3.85Å; Y228-K232 HydrophobicContact CE2-CD 4.32Å; Y228-K232 WeakPolarHBondContact O-CG 3.4Å; Y228-K232 PolarHBondContact O-N 3.24Å; L229-K232 PolarHBondContact O-N 3.38Å; Q230-K232 VanDerWaalsContact C-N 3.34Å; Q230-K232 PolarHBondContact O-N 3.31Å; K232-P241 WeakPolarHBondContact O-CA 3.35Å; K232-Y242 HydrophobicContact CB-CG 4.48Å; K232-Y242 HydrophobicContact CD-CD1 4.06Å; K232-Y242 HydrophobicContact CD-CD2 3.64Å; K232-Y242 HydrophobicContact CD-CE1 4.17Å; K232-Y242 HydrophobicContact CD-CE2 3.77Å; K232-Y242 HydrophobicContact CD-CG 3.8Å; K232-Y242 PolarHBondContact O-N 2.97Å; K232-D325 IonicContact NZ-OD1 3.99Å; K232-E328 WeakPolarHBondContact CE-OE1 3.35Å; K232-E328 IonicContact NZ-OE1 2.79Å; K232-E328 PolarHBondContact NZ-OE1 2.91Å; K232-E328 IonicContact NZ-OE2 2.75Å; K232-E328 PolarHBondContact NZ-OE2 3.5Å
233K98.4Very high96.9Very high70 Ų7063 Ų6330%0.30436%0.361SS..Hα-helixtrans-86.6-37.3-178.9-70.6176.8177.2-176.40113.4Y211 E215 L229 Q230 K231 P235 P241Y211-K233 WeakPolarHBondContact OH-CE 3.24Å; E215-K233 VanDerWaalsContact OE1-CE 3.23Å; E215-K233 WeakPolarHBondContact OE1-CE 3.24Å; E215-K233 IonicContact OE1-NZ 3.59Å; E215-K233 PolarHBondContact OE1-NZ 2.79Å; E215-K233 WeakPolarHBondContact OE2-CE 3.42Å; E215-K233 IonicContact OE2-NZ 2.78Å; E215-K233 PolarHBondContact OE2-NZ 3.02Å; L229-K233 WeakPolarHBondContact O-CG 3.17Å; L229-K233 PolarHBondContact O-N 3.03Å; Q230-K233 PolarHBondContact O-N 2.68Å; K231-K233 VanDerWaalsContact C-N 3.34Å; K233-P235 VanDerWaalsContact C-CD 3.45Å; K233-P235 WeakPolarHBondContact O-CD 3.36Å; K233-P241 WeakPolarHBondContact O-CB 3.31Å; K233-P241 WeakPolarHBondContact O-CG 3.29Å
234F98.1Very high97Very high129 Ų12961.6 Ų61.657%0.56636%0.356SS*.SBendtrans-129.368.2-175-54.8-81.3000109.5Q230 E236Q230-F234 VanDerWaalsContact CD-CD2 3.48Å; Q230-F234 HydrophobicContact CG-CD2 4.46Å; Q230-F234 PolarHBondContact O-N 3.03Å; F234-E236 PolarHBondContact O-N 3.32Å
235P96.9Very high97.1Very high34 Ų3468 Ų6822%0.22138%0.379CS..  trans-63.1132.1178.326.4-34.6000111.2K231 K233 S239 P241K231-P235 WeakPolarHBondContact O-CA 3.41Å; K233-P235 VanDerWaalsContact C-CD 3.45Å; K233-P235 WeakPolarHBondContact O-CD 3.36Å; P235-S239 WeakPolarHBondContact CB-OG 3.43Å; P235-S239 WeakPolarHBondContact CG-O 3.24Å; P235-P241 HydrophobicContact CG-CG 4.31Å
236E94.2Very high97.2Very high202 Ų20271.9 Ų71.994%0.94439%0.394SS*.SBendtrans-90.8-11.8-179.1-64.1178.8177.600112.9F234 G238F234-E236 PolarHBondContact O-N 3.32Å; E236-G238 VanDerWaalsContact C-N 3.26Å; E236-G238 PolarHBondContact O-N 3.25Å
237D92.6Very high97.2Very high129 Ų12971 Ų7169%0.6939%0.389SS*.SBendtrans-85.35.5-178.867.4-5.2000113.7S239D237-S239 VanDerWaalsContact C-N 3.26Å; D237-S239 PolarHBondContact O-N 3.36Å; D237-S239 WeakPolarHBondContact OD1-CB 3.13Å; D237-S239 PolarHBondContact OD1-N 3.45Å; D237-S239 PolarHBondContact OD1-OG 3.04Å
238G92.3Very high97.1Very high76 Ų7670.5 Ų70.578%0.78439%0.393SS*.SBendtrans78.33.2-177.500000114.6E236E236-G238 VanDerWaalsContact C-N 3.26Å; E236-G238 PolarHBondContact O-N 3.25Å
239S94.7Very high97.1Very high55 Ų5570.5 Ų70.539%0.38539%0.393SS..PPolyproline II helixtrans-70.5163.9173.168.70000112P235 D237P235-S239 WeakPolarHBondContact CB-OG 3.43Å; P235-S239 WeakPolarHBondContact CG-O 3.24Å; D237-S239 VanDerWaalsContact C-N 3.26Å; D237-S239 PolarHBondContact O-N 3.36Å; D237-S239 WeakPolarHBondContact OD1-CB 3.13Å; D237-S239 PolarHBondContact OD1-N 3.45Å; D237-S239 PolarHBondContact OD1-OG 3.04Å
240S97.4Very high97.1Very high100 Ų10070.4 Ų70.470%0.69939%0.392SS*.PPolyproline II helixtrans-74.7142.7174.7-56.40000111.1
241P98.3Very high97.1Very high81 Ų8165.4 Ų65.453%0.52637%0.369SS..PPolyproline II helixtrans-54.3150171.7-25.133.4000112.5K232 K233 P235K232-P241 WeakPolarHBondContact O-CA 3.35Å; K233-P241 WeakPolarHBondContact O-CB 3.31Å; K233-P241 WeakPolarHBondContact O-CG 3.29Å; P235-P241 HydrophobicContact CG-CG 4.31Å
242Y98.6Very high97.1Very high29 Ų2962 Ų6211%0.11436%0.356CS..PPolyproline II helixtrans-73.5144.5174.7-81.838.2000110.3K207 G208 K209 K232 D325K207-Y242 WeakPolarHBondContact CE-OH 3.32Å; K207-Y242 PolarHBondContact NZ-OH 2.98Å; G208-Y242 PolarHBondContact O-OH 3.33Å; K209-Y242 WeakPolarHBondContact O-CA 3.44Å; K232-Y242 HydrophobicContact CB-CG 4.48Å; K232-Y242 HydrophobicContact CD-CD1 4.06Å; K232-Y242 HydrophobicContact CD-CD2 3.64Å; K232-Y242 HydrophobicContact CD-CE1 4.17Å; K232-Y242 HydrophobicContact CD-CE2 3.77Å; K232-Y242 HydrophobicContact CD-CG 3.8Å; K232-Y242 PolarHBondContact O-N 2.97Å; Y242-D325 WeakPolarHBondContact CE2-OD1 3.16Å; Y242-D325 PolarHBondContact OH-OD1 3.17Å
243G98.6Very high97.1Very high27 Ų2761.8 Ų61.828%0.27836%0.355SS..EExtended strand (participates in β ladder)trans-73.9127.2170.700000111.6K209 T210 Y211K209-G243 PolarHBondContact O-N 3.31Å; T210-G243 WeakPolarHBondContact CA-O 3.45Å; T210-G243 WeakPolarHBondContact CB-O 3.46Å; Y211-G243 PolarHBondContact N-O 3.04Å; Y211-G243 VanDerWaalsContact N-O 3.16Å
244A98.7Very high97.2Very high51 Ų5158.4 Ų58.442%0.42134%0.34SS..EExtended strand (participates in β ladder)trans-74.5133170.700000110.6Y211Y211-A244 HydrophobicContact CE1-CB 3.98Å; Y211-A244 HydrophobicContact CE2-CB 4.03Å
245R98.6Very high97.2Very high138 Ų13853.8 Ų53.852%0.52132%0.32SS..  trans-141.2124.5170.9-67.2-66-178-831109.4T210 Y211 S212 R256T210-R245 HydrophobicContact CG2-CG 4.36Å; Y211-R245 PolarHBondContact O-N 3.17Å; S212-R245 WeakPolarHBondContact CA-O 3.49Å; S212-R245 WeakPolarHBondContact CB-O 3.32Å; S212-R245 PolarHBondContact OG-O 3.09Å; R245-R256 VanDerWaalsContact CB-CZ 3.46Å; R245-R256 VanDerWaalsContact CB-NH2 3.31Å; R245-R256 PolarHBondContact O-NH2 2.58Å; R245-R256 VanDerWaalsContact O-NH2 3.15Å
246Y98.3Very high97.3Very high82 Ų8253.9 Ų53.932%0.32232%0.316SS..  trans-146.8103.7175.9-171.9-103.4000108.6N214 F264N214-Y246 HydrophobicContact CB-CD1 4.29Å; N214-Y246 HydrophobicContact CB-CE1 3.66Å; N214-Y246 HydrophobicContact CB-CE2 4.17Å; Y246-F264 HydrophobicContact CE2-CE2 4.46Å
247V97.9Very high97.5Very high53 Ų5344.3 Ų44.332%0.32127%0.272SS..  trans-76.1-34.8177.8176.60000109.4A252 D253V247-A252 HydrophobicContact CB-CB 4.15Å; V247-A252 HydrophobicContact CG1-CB 3.88Å; V247-A252 HydrophobicContact CG2-CB 4.35Å; V247-D253 WeakPolarHBondContact CG2-OD1 3.36Å; V247-D253 PolarHBondContact N-OD1 3.43Å; V247-D253 PolarHBondContact N-OD2 2.83Å
248G95.8Very high97.8Very high23 Ų2338.2 Ų38.224%0.23724%0.239CC..SBendtrans88.510.6-177.900000113.7N127 D253N127-G248 PolarHBondContact ND2-O 3.49Å; G248-D253 PolarHBondContact N-OD2 2.89Å
249S96.8Very high98.1Very high1 Ų137.3 Ų37.31%0.00722%0.215CC..  trans-119.6128.4163.1160.60000107.4D123 N127 P133 V251 A252 D253D123-S249 PolarHBondContact OD2-OG 3.32Å; N127-S249 PolarHBondContact ND2-N 3.08Å; P133-S249 WeakPolarHBondContact O-CB 3.45Å; P133-S249 PolarHBondContact O-OG 3.16Å; S249-V251 VanDerWaalsContact C-N 3.33Å; S249-V251 PolarHBondContact O-N 2.92Å; S249-V251 VanDerWaalsContact OG-CG1 3.27Å; S249-V251 WeakPolarHBondContact OG-CG1 3.37Å; S249-A252 PolarHBondContact O-N 3.37Å; S249-D253 PolarHBondContact O-N 3.5Å; S249-D253 VanDerWaalsContact O-N 3.08Å
250M97.9Very high98.3Very high7 Ų742.1 Ų42.13%0.03423%0.226CC..Hα-helixtrans-59.1-46.5-174.4-175.3-164.7-174.400110.8D123 I137 A252 D253 V254 F264 L277 E282 M286 F318D123-M250 WeakPolarHBondContact OD1-CB 3.38Å; D123-M250 PolarHBondContact OD2-N 3.35Å; I137-M250 HydrophobicContact CD1-SD 3.96Å; M250-A252 VanDerWaalsContact C-N 3.27Å; M250-A252 PolarHBondContact O-N 2.92Å; M250-D253 PolarHBondContact O-N 3.12Å; M250-V254 HydrophobicContact CG-CG2 4.04Å; M250-V254 WeakPolarHBondContact O-CB 3.35Å; M250-V254 VanDerWaalsContact O-CG2 3.24Å; M250-V254 WeakPolarHBondContact O-CG2 3.46Å; M250-V254 PolarHBondContact O-N 2.99Å; M250-F264 HydrophobicContact CG-CE1 4.47Å; M250-F264 HydrophobicContact CG-CZ 4.3Å; M250-L277 HydrophobicContact CE-CD1 4.02Å; M250-L277 HydrophobicContact CG-CD1 4.41Å; M250-L277 HydrophobicContact SD-CD1 4.16Å; M250-E282 HydrophobicContact CE-CB 4.14Å; M250-E282 WeakPolarHBondContact CE-O 3.41Å; M250-E282 HydrophobicContact SD-CB 3.7Å; M250-E282 HydrophobicContact SD-CG 4.16Å; M250-M286 HydrophobicContact CE-CB 3.75Å; M250-M286 HydrophobicContact CE-CG 3.5Å; M250-M286 VanDerWaalsContact CE-CG 3.5Å; M250-M286 HydrophobicContact SD-CG 4.18Å; M250-F318 HydrophobicContact CE-CD1 3.55Å; M250-F318 HydrophobicContact CE-CE1 3.12Å; M250-F318 HydrophobicContact CE-CZ 4.13Å
251V98.3Very high98.3Very high0 Ų037.3 Ų37.30%019%0.193CC..Hα-helixtrans-59.4-38.4-178.3660000112.2D123 I134 G135 Y166 L168 S249 H255 M286D123-V251 HydrophobicContact CB-CG1 4.47Å; D123-V251 VanDerWaalsContact OD2-CG1 3.29Å; D123-V251 WeakPolarHBondContact OD2-CG1 3.27Å; D123-V251 PolarHBondContact OD2-N 3.24Å; I134-V251 VanDerWaalsContact C-CG1 3.49Å; G135-V251 VanDerWaalsContact CA-CG1 3.47Å; Y166-V251 HydrophobicContact CD2-CG2 3.38Å; Y166-V251 HydrophobicContact CE2-CG2 4.08Å; Y166-V251 HydrophobicContact CG-CG2 3.83Å; L168-V251 HydrophobicContact CB-CG2 4.27Å; L168-V251 HydrophobicContact CD1-CG1 4Å; L168-V251 HydrophobicContact CD1-CG2 4.28Å; S249-V251 VanDerWaalsContact C-N 3.33Å; S249-V251 PolarHBondContact O-N 2.92Å; S249-V251 VanDerWaalsContact OG-CG1 3.27Å; S249-V251 WeakPolarHBondContact OG-CG1 3.37Å; V251-H255 WeakPolarHBondContact O-CB 3.45Å; V251-H255 PolarHBondContact O-N 2.82Å; V251-M286 HydrophobicContact CB-CE 4.05Å; V251-M286 HydrophobicContact CG2-CE 4.07Å
252A98.5Very high98.4Very high9 Ų933.5 Ų33.57%0.07417%0.168CC..Hα-helixtrans-73.9-42.5-178.500000111.6P133 L168 V247 S249 M250 R256P133-A252 HydrophobicContact CB-CB 3.91Å; L168-A252 HydrophobicContact CD1-CB 4.17Å; V247-A252 HydrophobicContact CB-CB 4.15Å; V247-A252 HydrophobicContact CG1-CB 3.88Å; V247-A252 HydrophobicContact CG2-CB 4.35Å; S249-A252 PolarHBondContact O-N 3.37Å; M250-A252 VanDerWaalsContact C-N 3.27Å; M250-A252 PolarHBondContact O-N 2.92Å; A252-R256 WeakPolarHBondContact O-CB 3.38Å; A252-R256 PolarHBondContact O-N 3.49Å; A252-R256 VanDerWaalsContact O-N 3.13Å
253D98.8Very high98.4Very high1 Ų132.1 Ų32.11%0.00516%0.162CC..Hα-helixtrans-70.1-39.5178.3-74.4-45.1000111.9S212 V247 G248 S249 M250 R256 T257 F264S212-D253 PolarHBondContact OG-OD1 3.37Å; V247-D253 WeakPolarHBondContact CG2-OD1 3.36Å; V247-D253 PolarHBondContact N-OD1 3.43Å; V247-D253 PolarHBondContact N-OD2 2.83Å; G248-D253 PolarHBondContact N-OD2 2.89Å; S249-D253 PolarHBondContact O-N 3.5Å; S249-D253 VanDerWaalsContact O-N 3.08Å; M250-D253 PolarHBondContact O-N 3.12Å; D253-R256 IonicContact OD1-CZ 3.77Å; D253-R256 IonicContact OD1-NH1 2.64Å; D253-R256 PolarHBondContact OD1-NH1 3.19Å; D253-R256 IonicContact OD1-NH2 3.01Å; D253-R256 PolarHBondContact OD1-NH2 2.7Å; D253-T257 WeakPolarHBondContact O-CB 3.31Å; D253-T257 PolarHBondContact O-N 2.72Å; D253-T257 PolarHBondContact O-OG1 3.39Å; D253-F264 HydrophobicContact CB-CD2 3.68Å; D253-F264 HydrophobicContact CB-CE2 3.89Å
254V98.8Very high98.4Very high0 Ų031 Ų310%015%0.15CC..Hα-helixtrans-69.8-43.6175.6175.40000111.5M250 R256 T257 L258 F264 M286 V290 L320M250-V254 HydrophobicContact CG-CG2 4.04Å; M250-V254 WeakPolarHBondContact O-CB 3.35Å; M250-V254 VanDerWaalsContact O-CG2 3.24Å; M250-V254 WeakPolarHBondContact O-CG2 3.46Å; M250-V254 PolarHBondContact O-N 2.99Å; V254-R256 VanDerWaalsContact C-N 3.33Å; V254-R256 PolarHBondContact O-N 2.85Å; V254-T257 CarbonylContact O-C 3.09Å; V254-T257 WeakPolarHBondContact O-CB 3.33Å; V254-T257 PolarHBondContact O-N 3.1Å; V254-T257 VanDerWaalsContact O-N 3.1Å; V254-L258 WeakPolarHBondContact O-CB 3.48Å; V254-L258 PolarHBondContact O-N 3.2Å; V254-F264 HydrophobicContact CG2-CD1 4.21Å; V254-F264 HydrophobicContact CG2-CG 4.32Å; V254-M286 HydrophobicContact CB-SD 4.06Å; V254-M286 HydrophobicContact CG1-CB 4.45Å; V254-M286 HydrophobicContact CG1-SD 3.65Å; V254-M286 HydrophobicContact CG2-SD 4.43Å; V254-V290 HydrophobicContact CG1-CG2 4.2Å; V254-L320 HydrophobicContact CG1-CD1 4.02Å; V254-L320 HydrophobicContact CG2-CD1 4.16Å; V254-L320 HydrophobicContact CG2-CD2 3.87Å
255H98.8Very high98.4Very high31 Ų3128.5 Ų28.514%0.14413%0.129CC..Hα-helixtrans-59.5-44.8176.9-177.569.9000111.5Y166 L168 V251 T257 L258 M259Y166-H255 HydrophobicContact CE2-CB 3.96Å; Y166-H255 AromaticContact CE2-ND1 3.7Å; Y166-H255 AromaticContact CZ-ND1 3.77Å; Y166-H255 PolarHBondContact OH-ND1 3.36Å; L168-H255 HydrophobicContact CD2-CB 4.1Å; V251-H255 WeakPolarHBondContact O-CB 3.45Å; V251-H255 PolarHBondContact O-N 2.82Å; H255-T257 VanDerWaalsContact C-N 3.32Å; H255-T257 PolarHBondContact O-N 3.33Å; H255-L258 WeakPolarHBondContact O-CB 2.84Å; H255-L258 PolarHBondContact O-N 3.32Å; H255-M259 WeakPolarHBondContact O-CG 3.27Å; H255-M259 PolarHBondContact O-N 3.38Å
256R98.8Very high98.4Very high36 Ų3623 Ų2314%0.13611%0.109CC..Hα-helixtrans-61.4-41.4174.3-174.4-175.963.4-104.3-2.4111.9S212 R245 A252 D253 V254 L258 M259 Y260S212-R256 PolarHBondContact OG-NH2 2.98Å; R245-R256 VanDerWaalsContact CB-CZ 3.46Å; R245-R256 VanDerWaalsContact CB-NH2 3.31Å; R245-R256 PolarHBondContact O-NH2 2.58Å; R245-R256 VanDerWaalsContact O-NH2 3.15Å; A252-R256 WeakPolarHBondContact O-CB 3.38Å; A252-R256 PolarHBondContact O-N 3.49Å; A252-R256 VanDerWaalsContact O-N 3.13Å; D253-R256 IonicContact OD1-CZ 3.77Å; D253-R256 IonicContact OD1-NH1 2.64Å; D253-R256 PolarHBondContact OD1-NH1 3.19Å; D253-R256 IonicContact OD1-NH2 3.01Å; D253-R256 PolarHBondContact OD1-NH2 2.7Å; V254-R256 VanDerWaalsContact C-N 3.33Å; V254-R256 PolarHBondContact O-N 2.85Å; R256-L258 VanDerWaalsContact C-N 3.33Å; R256-M259 PolarHBondContact O-N 3.15Å; R256-Y260 HydrophobicContact CG-CD2 3.68Å; R256-Y260 HydrophobicContact CG-CE2 4.24Å; R256-Y260 WeakPolarHBondContact O-CB 3.44Å; R256-Y260 PolarHBondContact O-N 2.92Å
257T98.9Very high98.3Very high1 Ų119.3 Ų19.31%0.00610%0.095CC..Hα-helixtrans-62-42.3177.3-59.20000111.1I204 D253 V254 H255 G261 G262 L320I204-T257 HydrophobicContact CD1-CG2 4.27Å; I204-T257 WeakPolarHBondContact CD1-O 3.38Å; D253-T257 WeakPolarHBondContact O-CB 3.31Å; D253-T257 PolarHBondContact O-N 2.72Å; D253-T257 PolarHBondContact O-OG1 3.39Å; V254-T257 CarbonylContact O-C 3.09Å; V254-T257 WeakPolarHBondContact O-CB 3.33Å; V254-T257 PolarHBondContact O-N 3.1Å; V254-T257 VanDerWaalsContact O-N 3.1Å; H255-T257 VanDerWaalsContact C-N 3.32Å; H255-T257 PolarHBondContact O-N 3.33Å; T257-G261 CarbonylContact O-C 3.43Å; T257-G261 WeakPolarHBondContact O-CA 3.41Å; T257-G261 PolarHBondContact O-N 3.27Å; T257-G262 WeakPolarHBondContact CG2-O 3.26Å; T257-L320 HydrophobicContact CG2-CD1 4.17Å
258L98.8Very high98.1Very high1 Ų118 Ų181%0.0059%0.09CC..Hα-helixtrans-60.4-48.9175.5179.464.3000111.8Y166 V183 V202 I204 V254 H255 R256 I289 A293Y166-L258 WeakPolarHBondContact OH-CD2 3.37Å; V183-L258 HydrophobicContact CG1-CD2 4.39Å; V202-L258 HydrophobicContact CG1-CD1 4.1Å; V202-L258 HydrophobicContact CG1-CD2 4.31Å; V202-L258 HydrophobicContact CG1-CG 3.98Å; I204-L258 HydrophobicContact CB-CD1 4.42Å; V254-L258 WeakPolarHBondContact O-CB 3.48Å; V254-L258 PolarHBondContact O-N 3.2Å; H255-L258 WeakPolarHBondContact O-CB 2.84Å; H255-L258 PolarHBondContact O-N 3.32Å; R256-L258 VanDerWaalsContact C-N 3.33Å; L258-I289 HydrophobicContact CD2-CG2 4.03Å; L258-A293 HydrophobicContact CD1-CB 3.39Å
259M98.6Very high97.8Very high57 Ų5717.5 Ų17.528%0.2818%0.082SC..Hα-helixtrans-77.7-38.1-174.1-61.4-49.2-68.200113.4V202 H255 R256V202-M259 HydrophobicContact CG1-SD 4Å; H255-M259 WeakPolarHBondContact O-CG 3.27Å; H255-M259 PolarHBondContact O-N 3.38Å; R256-M259 PolarHBondContact O-N 3.15Å
260Y98.6Very high97.3Very high156 Ų15624.6 Ų24.661%0.61212%0.115SC*.Hα-helixtrans-103.6-11.8-173-63.3-21.7000114.2K205 R256K205-Y260 WeakPolarHBondContact CD-O 3.08Å; K205-Y260 PolarHBondContact NZ-O 2.8Å; R256-Y260 HydrophobicContact CG-CD2 3.68Å; R256-Y260 HydrophobicContact CG-CE2 4.24Å; R256-Y260 WeakPolarHBondContact O-CB 3.44Å; R256-Y260 PolarHBondContact O-N 2.92Å
261G98.6Very high96.9Very high0 Ų031 Ų310%014%0.142CC..  trans76.4175.3-16800000111.9T210 T257 S322T210-G261 PolarHBondContact OG1-O 3.18Å; T257-G261 CarbonylContact O-C 3.43Å; T257-G261 WeakPolarHBondContact O-CA 3.41Å; T257-G261 PolarHBondContact O-N 3.27Å; G261-S322 WeakPolarHBondContact CA-OG 3.33Å
262G98.8Very high96.6Very high0 Ų032.5 Ų32.50%015%0.153CC..  trans112.9-158.7-178.100000110.5T210 T257 G321 S322T210-G262 VanDerWaalsContact O-CA 3.25Å; T210-G262 WeakPolarHBondContact O-CA 3.48Å; T257-G262 WeakPolarHBondContact CG2-O 3.26Å; G262-G321 WeakPolarHBondContact O-CA 3.39Å; G262-S322 PolarHBondContact N-OG 2.78Å; G262-S322 WeakPolarHBondContact O-CB 3.23Å; G262-S322 PolarHBondContact O-N 2.96Å
263I98.9Very high96.3Very high0 Ų036.8 Ų36.80%018%0.18CC..EExtended strand (participates in β ladder)trans-135.1135.1-174.2-164.3173.7000111.4T210 Y211 S212 Y228 M265 I319 L320 D325 V326T210-I263 PolarHBondContact O-N 2.73Å; T210-I263 VanDerWaalsContact O-N 3.09Å; Y211-I263 CarbonylContact C-O 3.48Å; Y211-I263 WeakPolarHBondContact CA-O 3.45Å; S212-I263 PolarHBondContact N-O 3.38Å; Y228-I263 HydrophobicContact CE1-CD1 4.08Å; Y228-I263 HydrophobicContact CE1-CG2 4.03Å; I263-M265 HydrophobicContact CD1-CG 4.07Å; I263-M265 HydrophobicContact CD1-SD 4Å; I263-M265 HydrophobicContact CG1-CG 3.94Å; I263-M265 HydrophobicContact CG1-SD 4.33Å; I263-M265 HydrophobicContact CG2-CE 3.95Å; I263-M265 HydrophobicContact CG2-SD 4.2Å; I263-I319 HydrophobicContact CD1-CG2 3.72Å; I263-I319 HydrophobicContact CG1-CG2 4.02Å; I263-L320 WeakPolarHBondContact CA-O 3.3Å; I263-L320 WeakPolarHBondContact CG1-O 3.41Å; I263-D325 HydrophobicContact CB-CB 4.09Å; I263-D325 HydrophobicContact CD1-CB 4.41Å; I263-V326 HydrophobicContact CD1-CG2 4.04Å; I263-V326 HydrophobicContact CG1-CG2 4.1Å
264F98.9Very high96.1Very high3 Ų343.1 Ų43.11%0.01321%0.208CC..EExtended strand (participates in β ladder)trans-105.9136.8166.8169.8-92.9000109.5Y246 M250 D253 V254 Y266 L277 F318 I319 L320Y246-F264 HydrophobicContact CE2-CE2 4.46Å; M250-F264 HydrophobicContact CG-CE1 4.47Å; M250-F264 HydrophobicContact CG-CZ 4.3Å; D253-F264 HydrophobicContact CB-CD2 3.68Å; D253-F264 HydrophobicContact CB-CE2 3.89Å; V254-F264 HydrophobicContact CG2-CD1 4.21Å; V254-F264 HydrophobicContact CG2-CG 4.32Å; F264-Y266 HydrophobicContact CZ-CD2 4.25Å; F264-L277 HydrophobicContact CE1-CD1 4.03Å; F264-L277 HydrophobicContact CZ-CD1 4.23Å; F264-F318 HydrophobicContact CD1-CD1 4.42Å; F264-F318 HydrophobicContact CE1-CD1 4.06Å; F264-I319 WeakPolarHBondContact O-CA 3.37Å; F264-L320 HydrophobicContact CB-CD1 4.25Å; F264-L320 HydrophobicContact CB-CG 4.12Å; F264-L320 HydrophobicContact CD1-CD2 3.78Å; F264-L320 HydrophobicContact CD1-CG 4.12Å; F264-L320 PolarHBondContact N-O 2.82Å; F264-L320 PolarHBondContact O-N 3.31Å
265M98.7Very high95.9Very high0 Ų043.2 Ų43.20%021%0.209CC..EExtended strand (participates in β ladder)trans-138126.8-173.7-63.1171-65.400110.4Y211 S212 L213 M225 Y228 L229 I263 I319Y211-M265 HydrophobicContact CD2-CE 4.25Å; S212-M265 PolarHBondContact O-N 3.46Å; L213-M265 HydrophobicContact CB-CB 4.35Å; L213-M265 HydrophobicContact CB-CE 4.03Å; L213-M265 HydrophobicContact CD1-CB 3.97Å; L213-M265 WeakPolarHBondContact CD1-O 3.35Å; L213-M265 HydrophobicContact CD2-CE 4.33Å; M225-M265 HydrophobicContact CE-CB 3.99Å; M225-M265 HydrophobicContact CE-CG 4.12Å; M225-M265 HydrophobicContact CE-SD 3.76Å; M225-M265 HydrophobicContact SD-CE 4.43Å; M225-M265 HydrophobicContact SD-SD 3.73Å; Y228-M265 HydrophobicContact CD1-CE 4.26Å; Y228-M265 HydrophobicContact CD1-SD 3.7Å; Y228-M265 HydrophobicContact CE1-CE 4Å; Y228-M265 HydrophobicContact CE1-SD 3.59Å; Y228-M265 VanDerWaalsContact CE1-SD 3.59Å; L229-M265 HydrophobicContact CD2-CE 4.1Å; I263-M265 HydrophobicContact CD1-CG 4.07Å; I263-M265 HydrophobicContact CD1-SD 4Å; I263-M265 HydrophobicContact CG1-CG 3.94Å; I263-M265 HydrophobicContact CG1-SD 4.33Å; I263-M265 HydrophobicContact CG2-CE 3.95Å; I263-M265 HydrophobicContact CG2-SD 4.2Å; M265-I319 HydrophobicContact CB-CG1 4.32Å; M265-I319 HydrophobicContact CG-CG1 4.1Å; M265-I319 HydrophobicContact CG-CG2 4Å
266Y98.1Very high95.7Very high22 Ų2245.1 Ų45.19%0.08622%0.216CC..EExtended strand (participates in β ladder)trans-133.574.1167.2-148-55.7000108.4F264 K276 L277 F318F264-Y266 HydrophobicContact CZ-CD2 4.25Å; Y266-K276 HydrophobicContact CD1-CB 4.04Å; Y266-K276 HydrophobicContact CE1-CB 3.31Å; Y266-K276 HydrophobicContact CE1-CD 4.34Å; Y266-K276 HydrophobicContact CE1-CG 4.4Å; Y266-K276 WeakPolarHBondContact OH-CD 3.48Å; Y266-L277 HydrophobicContact CD2-CD1 4.04Å; Y266-L277 HydrophobicContact CD2-CD2 4.02Å; Y266-L277 HydrophobicContact CD2-CG 4.02Å; Y266-L277 HydrophobicContact CE2-CD2 4.24Å; Y266-L277 HydrophobicContact CG-CD1 4.02Å; Y266-L277 HydrophobicContact CG-CD2 4.44Å; Y266-L277 HydrophobicContact CG-CG 3.97Å; Y266-F318 PolarHBondContact N-O 2.95Å; Y266-F318 PolarHBondContact O-N 3.38Å
267P96.4Very high95.6Very high4 Ų443.9 Ų43.93%0.02621%0.212CC..  trans-70.7169.3-17432.7-38000111.9L213 F221 M225L213-P267 HydrophobicContact CD1-CG 4.17Å; F221-P267 HydrophobicContact CD1-CG 4.15Å; F221-P267 HydrophobicContact CE1-CG 4.11Å; M225-P267 HydrophobicContact CE-CB 3.74Å; M225-P267 HydrophobicContact CE-CG 3.73Å; M225-P267 HydrophobicContact CG-CG 4.19Å
268A94.5Very high95.5Very high27 Ų2744.1 Ų44.122%0.22321%0.213CC..  trans-57.4152.4158.400000110P273 P317A268-P273 VanDerWaalsContact CB-O 3.25Å; A268-P273 WeakPolarHBondContact CB-O 3.24Å; A268-P317 HydrophobicContact CB-CB 4.45Å; A268-P317 HydrophobicContact CB-CG 3.81Å
269N90.3Very high95.5Very high11 Ų1144.1 Ų44.16%0.05921%0.213CC..BIsolated β-bridgetrans-146.8172.3166.767.354.4000109.8Y220 K271 S272 P273Y220-N269 WeakPolarHBondContact O-CB 3.26Å; N269-K271 PolarHBondContact O-N 3.17Å; N269-K271 VanDerWaalsContact O-N 3.09Å; N269-K271 WeakPolarHBondContact OD1-CA 3.49Å; N269-K271 WeakPolarHBondContact OD1-CB 3.42Å; N269-K271 PolarHBondContact OD1-N 3.03Å; N269-S272 PolarHBondContact N-O 3.08Å; N269-S272 VanDerWaalsContact N-O 3.07Å; N269-S272 CarbonylContact O-C 3.51Å; N269-S272 PolarHBondContact O-N 2.89Å; N269-S272 PolarHBondContact OD1-N 2.8Å; N269-P273 WeakPolarHBondContact O-CA 3.02Å; N269-P273 VanDerWaalsContact O-N 3.12Å
270Q86.5Confident95.6Very high151 Ų15141.4 Ų41.471%0.70620%0.2SC*.THydrogen-bonded Turntrans-56.4-29.3-177.3-64.8177.46.800114.3Y220Y220-Q270 HydrophobicContact CD1-CB 4.18Å
271K88.4Confident95.6Very high140 Ų14034 Ų3461%0.60917%0.17SC*.THydrogen-bonded Turntrans-86.5-21176.9-67.3-173.9172.4179.20113.1Y220 N269Y220-K271 HydrophobicContact CE2-CD 4.17Å; Y220-K271 VanDerWaalsContact CZ-CE 3.46Å; Y220-K271 VanDerWaalsContact OH-CE 3.26Å; Y220-K271 WeakPolarHBondContact OH-CE 3.49Å; Y220-K271 PolarHBondContact OH-NZ 3.1Å; N269-K271 PolarHBondContact O-N 3.17Å; N269-K271 VanDerWaalsContact O-N 3.09Å; N269-K271 WeakPolarHBondContact OD1-CA 3.49Å; N269-K271 WeakPolarHBondContact OD1-CB 3.42Å; N269-K271 PolarHBondContact OD1-N 3.03Å
272S91.4Very high95.6Very high32 Ų3234.2 Ų34.222%0.22417%0.172CC..BIsolated β-bridgetrans-14174.3-176.5-62.10000108.5N269 K274 G275N269-S272 PolarHBondContact N-O 3.08Å; N269-S272 VanDerWaalsContact N-O 3.07Å; N269-S272 CarbonylContact O-C 3.51Å; N269-S272 PolarHBondContact O-N 2.89Å; N269-S272 PolarHBondContact OD1-N 2.8Å; S272-K274 PolarHBondContact O-N 3.46Å; S272-G275 PolarHBondContact O-N 2.77Å
273P92.7Very high95.6Very high99 Ų9934.2 Ų34.264%0.64317%0.172SC*.THydrogen-bonded Turntrans-66.5-21.5-171.224.9-34.6000113A268 N269A268-P273 VanDerWaalsContact CB-O 3.25Å; A268-P273 WeakPolarHBondContact CB-O 3.24Å; N269-P273 WeakPolarHBondContact O-CA 3.02Å; N269-P273 VanDerWaalsContact O-N 3.12Å
274K94.2Very high95.6Very high135 Ų13534.2 Ų34.259%0.58717%0.172SC*.THydrogen-bonded Turntrans-98.617.4172.7-60.2-169.8177.3-169.60112.8S272 R315 V316S272-K274 PolarHBondContact O-N 3.46Å; K274-R315 HydrophobicContact CB-CB 4.33Å; K274-R315 CarbonylContact O-C 3.49Å; K274-R315 WeakPolarHBondContact O-CB 3.49Å; K274-V316 CarbonylContact O-C 3.56Å; K274-V316 WeakPolarHBondContact O-CA 3.35Å; K274-V316 PolarHBondContact O-N 3.14Å
275G94.4Very high95.6Very high2 Ų234.1 Ų34.12%0.02117%0.171CC..  trans71.4-175.6-17000000112.9S272 R315S272-G275 PolarHBondContact O-N 2.77Å; G275-R315 WeakPolarHBondContact O-CD 3.27Å
276K94.6Very high95.6Very high71 Ų7134.1 Ų34.131%0.30917%0.171SC..SBendtrans-105.2-38177.6-167.9-176.2178.2-170.30113Y266 R315Y266-K276 HydrophobicContact CD1-CB 4.04Å; Y266-K276 HydrophobicContact CE1-CB 3.31Å; Y266-K276 HydrophobicContact CE1-CD 4.34Å; Y266-K276 HydrophobicContact CE1-CG 4.4Å; Y266-K276 WeakPolarHBondContact OH-CD 3.48Å; K276-R315 VanDerWaalsContact O-CD 3.27Å; K276-R315 WeakPolarHBondContact O-CD 3.46Å; K276-R315 WeakPolarHBondContact O-CG 3.31Å; K276-R315 PolarHBondContact O-NE 2.87Å
277L97.1Very high95.6Very high10 Ų1033 Ų335%0.05217%0.167CC..SBendtrans-75.9146.2-172.7-51.2-178.5000111.1M250 F264 Y266 E282 C283 R315 V316 F318M250-L277 HydrophobicContact CE-CD1 4.02Å; M250-L277 HydrophobicContact CG-CD1 4.41Å; M250-L277 HydrophobicContact SD-CD1 4.16Å; F264-L277 HydrophobicContact CE1-CD1 4.03Å; F264-L277 HydrophobicContact CZ-CD1 4.23Å; Y266-L277 HydrophobicContact CD2-CD1 4.04Å; Y266-L277 HydrophobicContact CD2-CD2 4.02Å; Y266-L277 HydrophobicContact CD2-CG 4.02Å; Y266-L277 HydrophobicContact CE2-CD2 4.24Å; Y266-L277 HydrophobicContact CG-CD1 4.02Å; Y266-L277 HydrophobicContact CG-CD2 4.44Å; Y266-L277 HydrophobicContact CG-CG 3.97Å; L277-E282 HydrophobicContact CB-CB 4.47Å; L277-E282 WeakPolarHBondContact CD2-OE1 3.36Å; L277-C283 VanDerWaalsContact CB-SG 3.53Å; L277-R315 WeakPolarHBondContact O-CA 3.35Å; L277-R315 WeakPolarHBondContact O-CB 3.48Å; L277-V316 PolarHBondContact O-N 2.81Å; L277-F318 HydrophobicContact CD1-CB 4.07Å; L277-F318 HydrophobicContact CD1-CD1 3.8Å; L277-F318 HydrophobicContact CD1-CG 4.36Å
278R98.3Very high95.7Very high6 Ų633.5 Ų33.52%0.02317%0.169CC..BIsolated β-bridgetrans-95.4139.1-173.7-64.686.1173.6-178.7-3.1111T68 D70 E99 Y281 E282 C283 Q314 R315T68-R278 PolarHBondContact OG1-NH2 3.47Å; D70-R278 IonicContact OD2-CZ 3.32Å; D70-R278 IonicContact OD2-NH1 3.57Å; D70-R278 IonicContact OD2-NH2 3.44Å; D70-R278 PolarHBondContact OD2-NH2 3.25Å; E99-R278 IonicContact OE1-CZ 3.49Å; E99-R278 IonicContact OE1-NE 3.88Å; E99-R278 IonicContact OE1-NH1 2.81Å; E99-R278 PolarHBondContact OE1-NH1 3.14Å; E99-R278 IonicContact OE1-NH2 2.65Å; E99-R278 PolarHBondContact OE1-NH2 2.87Å; R278-Y281 HydrophobicContact CB-CD2 4.15Å; R278-Y281 HydrophobicContact CB-CE1 4.2Å; R278-Y281 HydrophobicContact CB-CE2 3.5Å; R278-Y281 HydrophobicContact CG-CE2 3.88Å; R278-Y281 WeakPolarHBondContact CG-OH 3.4Å; R278-E282 WeakPolarHBondContact CA-OE2 3.41Å; R278-E282 VanDerWaalsContact CB-OE2 3.31Å; R278-E282 WeakPolarHBondContact CB-OE2 3.22Å; R278-E282 WeakPolarHBondContact CD-OE2 3.23Å; R278-E282 PolarHBondContact N-OE2 3.46Å; R278-E282 IonicContact NH1-OE1 2.79Å; R278-E282 IonicContact NH1-OE2 3.5Å; R278-E282 WeakPolarHBondContact O-CB 3.34Å; R278-E282 PolarHBondContact O-N 3.2Å; R278-C283 PolarHBondContact O-N 2.9Å; R278-C283 PolarHBondContact O-SG 2.89Å; R278-Q314 CarbonylContact C-O 3.56Å; R278-Q314 WeakPolarHBondContact CA-O 3.23Å; R278-R315 HydrophobicContact CG-CG 4.15Å
279L98.8Very high95.9Very high0 Ų032.2 Ų32.20%016%0.158CC..Iπ-helixtrans-63.7-51.1-169.4-177.860.8000112.3C283 N284 V304 V307 P309 Q314 V316L279-C283 HydrophobicContact CD1-CB 4.4Å; L279-N284 WeakPolarHBondContact CD1-OD1 3.39Å; L279-N284 WeakPolarHBondContact O-CB 3.34Å; L279-N284 PolarHBondContact O-N 2.7Å; L279-V304 HydrophobicContact CD1-CG1 4.1Å; L279-V307 HydrophobicContact CD1-CB 4.25Å; L279-V307 HydrophobicContact CD1-CG1 4.43Å; L279-V307 HydrophobicContact CD2-CB 4.12Å; L279-V307 HydrophobicContact CD2-CG1 3.62Å; L279-P309 HydrophobicContact CD2-CB 4.02Å; L279-P309 HydrophobicContact CD2-CG 3.87Å; L279-Q314 PolarHBondContact N-O 3.28Å; L279-V316 HydrophobicContact CB-CG1 4.31Å; L279-V316 HydrophobicContact CB-CG2 4.4Å; L279-V316 HydrophobicContact CD1-CG1 4.12Å; L279-V316 HydrophobicContact CD1-CG2 3.88Å; L279-V316 HydrophobicContact CD2-CG1 4.4Å
280L98.8Very high96.4Very high0 Ų031.7 Ų31.70%016%0.155CC..Iπ-helixtrans-73-35-165.8-67.1-172.7000114.7V97 C118 L155 P309 L312V97-L280 HydrophobicContact CG1-CD1 4.38Å; C118-L280 HydrophobicContact CB-CB 4.16Å; C118-L280 WeakPolarHBondContact CB-O 3.46Å; L155-L280 HydrophobicContact CD2-CD1 4.45Å; L280-P309 HydrophobicContact CD2-CB 3.85Å; L280-P309 HydrophobicContact CD2-CG 3.51Å; L280-L312 HydrophobicContact CD1-CD2 4.2Å; L280-L312 WeakPolarHBondContact CD1-O 3.44Å
281Y98.6Very high96.9Very high0 Ų027 Ų270%013%0.133CC..Iπ-helixtrans-123.7-5.8-169.146.8-102000114.8V97 E99 F119 D120 I137 R278 P285 H313V97-Y281 HydrophobicContact CG1-CD1 4.32Å; V97-Y281 HydrophobicContact CG1-CE1 4.47Å; E99-Y281 HydrophobicContact CB-CD2 4.11Å; E99-Y281 HydrophobicContact CB-CE2 3.51Å; E99-Y281 HydrophobicContact CG-CE2 3.8Å; F119-Y281 VanDerWaalsContact C-CB 3.48Å; D120-Y281 HydrophobicContact CB-CD2 4.2Å; I137-Y281 WeakPolarHBondContact CB-O 3.37Å; I137-Y281 VanDerWaalsContact CG2-O 3.28Å; I137-Y281 WeakPolarHBondContact CG2-O 3.38Å; R278-Y281 HydrophobicContact CB-CD2 4.15Å; R278-Y281 HydrophobicContact CB-CE1 4.2Å; R278-Y281 HydrophobicContact CB-CE2 3.5Å; R278-Y281 HydrophobicContact CG-CE2 3.88Å; R278-Y281 WeakPolarHBondContact CG-OH 3.4Å; Y281-P285 WeakPolarHBondContact O-CG 3.21Å; Y281-H313 AromaticContact CE1-ND1 3.7Å; Y281-H313 AromaticContact CZ-ND1 3.8Å; Y281-H313 PolarHBondContact OH-ND1 3.49Å
282E98.8Very high97.4Very high5 Ų522.8 Ų22.82%0.02312%0.116CC..Iπ-helixtrans-115.3-64.1169.6-69.7166.69900110.2I137 M250 L277 R278 P285 M286I137-E282 HydrophobicContact CD1-CG 4.36Å; M250-E282 HydrophobicContact CE-CB 4.14Å; M250-E282 WeakPolarHBondContact CE-O 3.41Å; M250-E282 HydrophobicContact SD-CB 3.7Å; M250-E282 HydrophobicContact SD-CG 4.16Å; L277-E282 HydrophobicContact CB-CB 4.47Å; L277-E282 WeakPolarHBondContact CD2-OE1 3.36Å; R278-E282 WeakPolarHBondContact CA-OE2 3.41Å; R278-E282 VanDerWaalsContact CB-OE2 3.31Å; R278-E282 WeakPolarHBondContact CB-OE2 3.22Å; R278-E282 WeakPolarHBondContact CD-OE2 3.23Å; R278-E282 PolarHBondContact N-OE2 3.46Å; R278-E282 IonicContact NH1-OE1 2.79Å; R278-E282 IonicContact NH1-OE2 3.5Å; R278-E282 WeakPolarHBondContact O-CB 3.34Å; R278-E282 PolarHBondContact O-N 3.2Å; E282-P285 WeakPolarHBondContact O-CG 3.42Å; E282-M286 WeakPolarHBondContact O-CB 3.4Å; E282-M286 VanDerWaalsContact O-CG 3.26Å; E282-M286 WeakPolarHBondContact O-CG 3.33Å; E282-M286 PolarHBondContact O-N 3.15Å
283C98.8Very high97.8Very high0 Ų021.3 Ų21.30%011%0.105CC..Iπ-helixtrans-69.9-51.4-169.1-57.10000113.4L277 R278 L279 M286 A287 V304 V316 F318L277-C283 VanDerWaalsContact CB-SG 3.53Å; R278-C283 PolarHBondContact O-N 2.9Å; R278-C283 PolarHBondContact O-SG 2.89Å; L279-C283 HydrophobicContact CD1-CB 4.4Å; C283-M286 PolarHBondContact O-N 3.42Å; C283-A287 WeakPolarHBondContact O-CB 3.18Å; C283-A287 PolarHBondContact O-N 3.07Å; C283-V304 HydrophobicContact CB-CG1 3.91Å; C283-V316 HydrophobicContact CB-CG2 3.92Å; C283-V316 VanDerWaalsContact SG-CG2 3.58Å; C283-F318 HydrophobicContact CB-CD1 4.46Å; C283-F318 HydrophobicContact CB-CD2 3.66Å; C283-F318 HydrophobicContact CB-CE1 4.45Å; C283-F318 HydrophobicContact CB-CE2 3.71Å; C283-F318 HydrophobicContact CB-CG 4.08Å; C283-F318 HydrophobicContact CB-CZ 4.12Å; C283-F318 WeakPolarHBondContact O-CE2 3.25Å; C283-F318 VanDerWaalsContact O-CZ 3.23Å; C283-F318 WeakPolarHBondContact O-CZ 3.22Å
284N98.9Very high98.1Very high0 Ų018.9 Ų18.90%010%0.099CC..Hα-helixtrans-58.5-51.9-179.7-78.5-10.7000113.4Y141 I161 L279 M286 A287 F288 V304 L305Y141-N284 PolarHBondContact OH-ND2 3.45Å; I161-N284 HydrophobicContact CD1-CB 4.06Å; L279-N284 WeakPolarHBondContact CD1-OD1 3.39Å; L279-N284 WeakPolarHBondContact O-CB 3.34Å; L279-N284 PolarHBondContact O-N 2.7Å; N284-M286 VanDerWaalsContact C-N 3.32Å; N284-M286 PolarHBondContact O-N 2.83Å; N284-A287 PolarHBondContact O-N 3.06Å; N284-F288 WeakPolarHBondContact O-CB 3.49Å; N284-F288 PolarHBondContact O-N 3.01Å; N284-V304 PolarHBondContact OD1-O 3.01Å; N284-L305 HydrophobicContact CB-CD2 4.42Å; N284-L305 WeakPolarHBondContact O-CD2 3.45Å
285P98.9Very high98.3Very high1 Ų112.9 Ų12.91%0.0068%0.075CC..Hα-helixtrans-60.5-40.3178.916.8-27.8000113I137 F138 A139 A164 Y281 E282 F288 I289I137-P285 HydrophobicContact CG2-CB 3.69Å; I137-P285 HydrophobicContact CG2-CG 3.39Å; F138-P285 WeakPolarHBondContact O-CB 3.41Å; A139-P285 HydrophobicContact CB-CB 4Å; A139-P285 HydrophobicContact CB-CG 4.26Å; A164-P285 HydrophobicContact CB-CB 4.05Å; Y281-P285 WeakPolarHBondContact O-CG 3.21Å; E282-P285 WeakPolarHBondContact O-CG 3.42Å; P285-F288 PolarHBondContact O-N 3.18Å; P285-I289 WeakPolarHBondContact O-CG1 3.49Å; P285-I289 PolarHBondContact O-N 2.79Å; P285-I289 VanDerWaalsContact O-N 3.09Å
286M98.9Very high98.5Very high0 Ų015.6 Ų15.60%09%0.088CC..Hα-helixtrans-70.5-40.6178.8-68.7-67.8-173.700112.2I137 Y166 M250 V251 V254 E282 C283 N284 F288 I289 V290 F318I137-M286 HydrophobicContact CB-CE 4.42Å; I137-M286 HydrophobicContact CD1-CE 3.5Å; I137-M286 VanDerWaalsContact CD1-CE 3.5Å; I137-M286 HydrophobicContact CG1-CE 3.64Å; I137-M286 HydrophobicContact CG2-CE 3.96Å; I137-M286 HydrophobicContact CG2-CG 4.38Å; Y166-M286 HydrophobicContact CD1-CE 3.73Å; Y166-M286 HydrophobicContact CD1-SD 3.48Å; Y166-M286 WeakPolarHBondContact CD1-SD 3.45Å; Y166-M286 HydrophobicContact CE1-CE 4.5Å; Y166-M286 HydrophobicContact CE1-SD 3.92Å; Y166-M286 HydrophobicContact CG-CE 3.82Å; Y166-M286 HydrophobicContact CG-SD 4.21Å; M250-M286 HydrophobicContact CE-CB 3.75Å; M250-M286 HydrophobicContact CE-CG 3.5Å; M250-M286 VanDerWaalsContact CE-CG 3.5Å; M250-M286 HydrophobicContact SD-CG 4.18Å; V251-M286 HydrophobicContact CB-CE 4.05Å; V251-M286 HydrophobicContact CG2-CE 4.07Å; V254-M286 HydrophobicContact CB-SD 4.06Å; V254-M286 HydrophobicContact CG1-CB 4.45Å; V254-M286 HydrophobicContact CG1-SD 3.65Å; V254-M286 HydrophobicContact CG2-SD 4.43Å; E282-M286 WeakPolarHBondContact O-CB 3.4Å; E282-M286 VanDerWaalsContact O-CG 3.26Å; E282-M286 WeakPolarHBondContact O-CG 3.33Å; E282-M286 PolarHBondContact O-N 3.15Å; C283-M286 PolarHBondContact O-N 3.42Å; N284-M286 VanDerWaalsContact C-N 3.32Å; N284-M286 PolarHBondContact O-N 2.83Å; M286-F288 VanDerWaalsContact C-N 3.34Å; M286-I289 PolarHBondContact O-N 2.68Å; M286-V290 WeakPolarHBondContact O-CB 3.25Å; M286-V290 VanDerWaalsContact O-CG2 3.25Å; M286-V290 WeakPolarHBondContact O-CG2 3.48Å; M286-V290 PolarHBondContact O-N 3.36Å; M286-F318 HydrophobicContact CB-CE1 4.04Å; M286-F318 HydrophobicContact CB-CZ 3.95Å
287A98.9Very high98.7Very high0 Ų012.4 Ų12.40%08%0.075CC..Hα-helixtrans-60.4-44173.300000111.4C283 N284 I289 V290 E291 A297 V304 L305 F318C283-A287 WeakPolarHBondContact O-CB 3.18Å; C283-A287 PolarHBondContact O-N 3.07Å; N284-A287 PolarHBondContact O-N 3.06Å; A287-I289 PolarHBondContact O-N 3.39Å; A287-V290 PolarHBondContact O-N 3.48Å; A287-E291 WeakPolarHBondContact O-CB 3.33Å; A287-E291 WeakPolarHBondContact O-CG 3.46Å; A287-E291 PolarHBondContact O-N 3.14Å; A287-A297 HydrophobicContact CB-CB 3.47Å; A287-A297 VanDerWaalsContact CB-CB 3.47Å; A287-V304 HydrophobicContact CB-CB 4.02Å; A287-V304 HydrophobicContact CB-CG1 3.91Å; A287-L305 HydrophobicContact CB-CD2 3.68Å; A287-L305 HydrophobicContact CB-CG 3.88Å; A287-F318 HydrophobicContact CB-CE2 4.08Å; A287-F318 HydrophobicContact CB-CZ 4.25Å
288F98.9Very high98.8Very high13 Ų1312.2 Ų12.26%0.0577%0.074CC..Hα-helixtrans-60.2-47.4177.9-173.8-91.1000111.6I161 A164 N284 P285 M286 V290 Q292 L305I161-F288 HydrophobicContact CB-CD2 3.68Å; I161-F288 HydrophobicContact CB-CE2 3.79Å; I161-F288 HydrophobicContact CB-CG 4.18Å; I161-F288 HydrophobicContact CB-CZ 4.39Å; I161-F288 HydrophobicContact CD1-CB 3.97Å; I161-F288 HydrophobicContact CD1-CD2 4.32Å; I161-F288 HydrophobicContact CD1-CG 4.28Å; I161-F288 HydrophobicContact CG2-CD1 3.93Å; I161-F288 HydrophobicContact CG2-CD2 3.71Å; I161-F288 HydrophobicContact CG2-CE1 3.95Å; I161-F288 HydrophobicContact CG2-CE2 3.74Å; I161-F288 HydrophobicContact CG2-CG 3.8Å; I161-F288 HydrophobicContact CG2-CZ 3.85Å; I161-F288 WeakPolarHBondContact O-CE2 3.27Å; A164-F288 HydrophobicContact CB-CB 4.28Å; A164-F288 HydrophobicContact CB-CD1 3.8Å; A164-F288 HydrophobicContact CB-CG 4.27Å; N284-F288 WeakPolarHBondContact O-CB 3.49Å; N284-F288 PolarHBondContact O-N 3.01Å; P285-F288 PolarHBondContact O-N 3.18Å; M286-F288 VanDerWaalsContact C-N 3.34Å; F288-V290 PolarHBondContact O-N 2.72Å; F288-Q292 HydrophobicContact CD1-CG 4.11Å; F288-Q292 HydrophobicContact CE1-CG 3.92Å; F288-Q292 HydrophobicContact CZ-CG 4.22Å; F288-Q292 WeakPolarHBondContact O-CB 3.23Å; F288-Q292 WeakPolarHBondContact O-CG 3.31Å; F288-Q292 PolarHBondContact O-N 3.16Å; F288-L305 HydrophobicContact CB-CD1 4.44Å; F288-L305 HydrophobicContact CB-CD2 4.2Å; F288-L305 HydrophobicContact CD2-CD1 4.45Å
289I98.9Very high98.8Very high0 Ų012.7 Ų12.70%08%0.078CC..Hα-helixtrans-59.2-48.2175.7-69.9-69000111.1A164 Y166 V183 L258 P285 M286 A287 Q292 A293A164-I289 WeakPolarHBondContact O-CD1 3.17Å; Y166-I289 HydrophobicContact CD1-CG1 4.46Å; Y166-I289 HydrophobicContact CE1-CG2 4.01Å; V183-I289 HydrophobicContact CG1-CD1 4.34Å; V183-I289 HydrophobicContact CG1-CG2 4.05Å; V183-I289 HydrophobicContact CG2-CD1 4.46Å; V183-I289 HydrophobicContact CG2-CG2 4.11Å; V183-I289 WeakPolarHBondContact CG2-O 3.43Å; L258-I289 HydrophobicContact CD2-CG2 4.03Å; P285-I289 WeakPolarHBondContact O-CG1 3.49Å; P285-I289 PolarHBondContact O-N 2.79Å; P285-I289 VanDerWaalsContact O-N 3.09Å; M286-I289 PolarHBondContact O-N 2.68Å; A287-I289 PolarHBondContact O-N 3.39Å; I289-Q292 PolarHBondContact O-N 2.73Å; I289-A293 PolarHBondContact O-N 3.03Å; I289-A293 VanDerWaalsContact O-N 3.09Å
290V98.9Very high98.7Very high0 Ų013 Ų130%08%0.081CC..Hα-helixtrans-67.9-41-175170.50000111.8V254 M286 A287 F288 A293 G294 G295 L320V254-V290 HydrophobicContact CG1-CG2 4.2Å; M286-V290 WeakPolarHBondContact O-CB 3.25Å; M286-V290 VanDerWaalsContact O-CG2 3.25Å; M286-V290 WeakPolarHBondContact O-CG2 3.48Å; M286-V290 PolarHBondContact O-N 3.36Å; A287-V290 PolarHBondContact O-N 3.48Å; F288-V290 PolarHBondContact O-N 2.72Å; V290-A293 CarbonylContact O-C 3.54Å; V290-A293 PolarHBondContact O-N 3.27Å; V290-G294 PolarHBondContact O-N 3.23Å; V290-G295 WeakPolarHBondContact O-CA 3.06Å; V290-G295 PolarHBondContact O-N 3.32Å; V290-L320 HydrophobicContact CG1-CD1 4.39Å; V290-L320 HydrophobicContact CG2-CD1 3.68Å
291E98.8Very high98.4Very high52 Ų5217.8 Ų17.824%0.24311%0.11CC..Hα-helixtrans-65.3-38.8174.9-73.2-163.9-154.500112.2R159 A287 A293 G294 L305R159-E291 IonicContact CZ-OE1 3.91Å; R159-E291 IonicContact CZ-OE2 2.75Å; R159-E291 IonicContact NH1-OE1 2.73Å; R159-E291 IonicContact NH1-OE2 2.69Å; R159-E291 PolarHBondContact NH1-OE2 3.45Å; R159-E291 IonicContact NH2-OE1 3.66Å; R159-E291 PolarHBondContact NH2-OE1 3.05Å; R159-E291 IonicContact NH2-OE2 3.33Å; A287-E291 WeakPolarHBondContact O-CB 3.33Å; A287-E291 WeakPolarHBondContact O-CG 3.46Å; A287-E291 PolarHBondContact O-N 3.14Å; E291-A293 PolarHBondContact O-N 3.2Å; E291-G294 PolarHBondContact O-N 3.14Å; E291-L305 HydrophobicContact CG-CD1 4.32Å
292Q98.7Very high98.4Very high52 Ų5222.3 Ų22.324%0.24313%0.131CC..Hα-helixtrans-63.8-24.7174.2-72.1-69.2-40.500113S178 G180 V183 F288 I289 G294S178-Q292 WeakPolarHBondContact OG-CG 3.48Å; G180-Q292 PolarHBondContact O-OE1 3.04Å; V183-Q292 HydrophobicContact CG2-CB 3.66Å; F288-Q292 HydrophobicContact CD1-CG 4.11Å; F288-Q292 HydrophobicContact CE1-CG 3.92Å; F288-Q292 HydrophobicContact CZ-CG 4.22Å; F288-Q292 WeakPolarHBondContact O-CB 3.23Å; F288-Q292 WeakPolarHBondContact O-CG 3.31Å; F288-Q292 PolarHBondContact O-N 3.16Å; I289-Q292 PolarHBondContact O-N 2.73Å; Q292-G294 VanDerWaalsContact C-N 3.34Å
293A98.7Very high98.4Very high1 Ų123.6 Ų23.61%0.00814%0.143CC..THydrogen-bonded Turntrans-86.81.9172.100000113.8V183 V202 K203 I204 L258 I289 V290 E291V183-A293 HydrophobicContact CG2-CB 4.06Å; V202-A293 WeakPolarHBondContact O-CA 3.35Å; V202-A293 WeakPolarHBondContact O-CB 3.37Å; K203-A293 WeakPolarHBondContact CA-O 3.5Å; I204-A293 HydrophobicContact CB-CB 4.49Å; I204-A293 PolarHBondContact N-O 2.99Å; L258-A293 HydrophobicContact CD1-CB 3.39Å; I289-A293 PolarHBondContact O-N 3.03Å; I289-A293 VanDerWaalsContact O-N 3.09Å; V290-A293 CarbonylContact O-C 3.54Å; V290-A293 PolarHBondContact O-N 3.27Å; E291-A293 PolarHBondContact O-N 3.2Å
294G98.7Very high98.4Very high49 Ų4923.6 Ų23.651%0.50514%0.143SC..THydrogen-bonded Turntrans85.417.2-178.800000114.8V290 E291 Q292V290-G294 PolarHBondContact O-N 3.23Å; E291-G294 PolarHBondContact O-N 3.14Å; Q292-G294 VanDerWaalsContact C-N 3.34Å
295G98.8Very high98.4Very high9 Ų923.7 Ų23.79%0.09314%0.144CC..  trans-90.4-170.8173.600000113.4I204 V290 G321I204-G295 VanDerWaalsContact CG2-CA 3.48Å; I204-G295 VanDerWaalsContact CG2-N 3.35Å; V290-G295 WeakPolarHBondContact O-CA 3.06Å; V290-G295 PolarHBondContact O-N 3.32Å; G295-G321 WeakPolarHBondContact CA-O 3.31Å
296M98.8Very high98.4Very high58 Ų5827.7 Ų27.729%0.28617%0.165SC..EExtended strand (participates in β ladder)trans-129.2148.5175.7-69.2176.368.900110.7L320 G321 P323 V326 L330M296-L320 CarbonylContact O-C 3.09Å; M296-L320 WeakPolarHBondContact O-CA 3.44Å; M296-L320 WeakPolarHBondContact O-CB 3.32Å; M296-G321 PolarHBondContact N-O 3.12Å; M296-G321 PolarHBondContact O-N 2.93Å; M296-P323 HydrophobicContact CG-CB 3.94Å; M296-P323 HydrophobicContact SD-CB 3.77Å; M296-V326 HydrophobicContact CB-CB 4.03Å; M296-V326 HydrophobicContact CB-CG1 3.84Å; M296-V326 HydrophobicContact CB-CG2 4.29Å; M296-V326 HydrophobicContact CE-CG1 4.37Å; M296-L330 HydrophobicContact CE-CD1 4.13Å
297A98.8Very high98.4Very high4 Ų428.1 Ų28.13%0.03317%0.167CC..EExtended strand (participates in β ladder)trans-138.2126.4171.600000110.8A287 V304 F318 I319 L320A287-A297 HydrophobicContact CB-CB 3.47Å; A287-A297 VanDerWaalsContact CB-CB 3.47Å; A297-V304 HydrophobicContact CB-CB 4.39Å; A297-V304 HydrophobicContact CB-CG2 4.33Å; A297-V304 PolarHBondContact O-N 3.27Å; A297-V304 VanDerWaalsContact O-N 3.14Å; A297-F318 HydrophobicContact CB-CE2 4.23Å; A297-I319 CarbonylContact C-O 2.99Å; A297-I319 VanDerWaalsContact CA-O 3.29Å; A297-I319 WeakPolarHBondContact CA-O 3.14Å; A297-L320 HydrophobicContact CB-CB 3.96Å
298T98.8Very high98.3Very high7 Ų735.8 Ų35.84%0.04320%0.201CC..EExtended strand (participates in β ladder)trans-141.4152.4-172.8-176.70000111.9G300 E302 V304 I319 V326 L330T298-G300 PolarHBondContact OG1-N 3.08Å; T298-E302 VanDerWaalsContact CA-O 3.29Å; T298-E302 WeakPolarHBondContact CA-O 3.36Å; T298-E302 WeakPolarHBondContact CB-O 3.47Å; T298-E302 PolarHBondContact OG1-O 3.37Å; T298-V304 VanDerWaalsContact C-CG2 3.49Å; T298-I319 HydrophobicContact CG2-CB 4.04Å; T298-I319 HydrophobicContact CG2-CG2 4.32Å; T298-I319 PolarHBondContact N-O 3.08Å; T298-I319 PolarHBondContact O-N 3.19Å; T298-V326 HydrophobicContact CG2-CG1 3.73Å; T298-L330 HydrophobicContact CG2-CD1 4.35Å; T298-L330 HydrophobicContact CG2-CD2 3.92Å; T298-L330 HydrophobicContact CG2-CG 4.21Å
299T98.2Very high98.3Very high15 Ų1535.4 Ų35.49%0.09220%0.199CC..  trans-79.6-5166.462.90000112.4T301 E302 V304 V307 V316 P317T299-T301 VanDerWaalsContact C-N 3.34Å; T299-T301 PolarHBondContact OG1-N 3.36Å; T299-T301 PolarHBondContact OG1-OG1 3.42Å; T299-E302 HydrophobicContact CG2-CG 4.25Å; T299-E302 PolarHBondContact N-O 2.89Å; T299-E302 WeakPolarHBondContact OG1-CG 3.39Å; T299-E302 PolarHBondContact OG1-N 2.92Å; T299-E302 VanDerWaalsContact OG1-N 3.11Å; T299-E302 PolarHBondContact OG1-O 3.48Å; T299-V304 HydrophobicContact CG2-CG2 4.1Å; T299-V307 HydrophobicContact CG2-CG2 3.98Å; T299-V316 HydrophobicContact CG2-CB 4.3Å; T299-P317 WeakPolarHBondContact CA-O 3.4Å; T299-P317 WeakPolarHBondContact O-CB 3.4Å
300G96.2Very high98.2Very high6 Ų642.9 Ų42.96%0.06223%0.234CC..SBendtrans96.3-24.2-167.300000112.6T298 L330 V333T298-G300 PolarHBondContact OG1-N 3.08Å; G300-L330 WeakPolarHBondContact O-CD2 3.44Å; G300-V333 WeakPolarHBondContact O-CG1 3.24Å
301T94.3Very high98.2Very high101 Ų10145.2 Ų45.262%0.6225%0.254SS*.SBendtrans-117.4-29.4-179.856.20000113.7T299T299-T301 VanDerWaalsContact C-N 3.34Å; T299-T301 PolarHBondContact OG1-N 3.36Å; T299-T301 PolarHBondContact OG1-OG1 3.42Å
302E97.6Very high98.1Very high95 Ų9543.4 Ų43.444%0.44425%0.246SC..SBendtrans-144.1168.417864-172.2114.900110.4T298 T299 V307T298-E302 VanDerWaalsContact CA-O 3.29Å; T298-E302 WeakPolarHBondContact CA-O 3.36Å; T298-E302 WeakPolarHBondContact CB-O 3.47Å; T298-E302 PolarHBondContact OG1-O 3.37Å; T299-E302 HydrophobicContact CG2-CG 4.25Å; T299-E302 PolarHBondContact N-O 2.89Å; T299-E302 WeakPolarHBondContact OG1-CG 3.39Å; T299-E302 PolarHBondContact OG1-N 2.92Å; T299-E302 VanDerWaalsContact OG1-N 3.11Å; T299-E302 PolarHBondContact OG1-O 3.48Å; E302-V307 HydrophobicContact CG-CG2 3.89Å
303A98.6Very high98.1Very high32 Ų3242.9 Ų42.926%0.26424%0.243SC..BIsolated β-bridgetrans-76.7137.9174.400000110.2L305 D306A303-L305 VanDerWaalsContact C-N 3.32Å; A303-L305 PolarHBondContact O-N 3.07Å; A303-D306 VanDerWaalsContact CB-OD2 3.28Å; A303-D306 WeakPolarHBondContact CB-OD2 3.47Å; A303-D306 PolarHBondContact O-N 3.3Å; A303-D306 VanDerWaalsContact O-N 3.12Å
304V98.8Very high98Very high0 Ų044.5 Ų44.50%025%0.251CS..G310 helixtrans-62.2-41-169.91700000112L279 C283 N284 A287 A297 T298 T299 D306 V307 F318L279-V304 HydrophobicContact CD1-CG1 4.1Å; C283-V304 HydrophobicContact CB-CG1 3.91Å; N284-V304 PolarHBondContact OD1-O 3.01Å; A287-V304 HydrophobicContact CB-CB 4.02Å; A287-V304 HydrophobicContact CB-CG1 3.91Å; A297-V304 HydrophobicContact CB-CB 4.39Å; A297-V304 HydrophobicContact CB-CG2 4.33Å; A297-V304 PolarHBondContact O-N 3.27Å; A297-V304 VanDerWaalsContact O-N 3.14Å; T298-V304 VanDerWaalsContact C-CG2 3.49Å; T299-V304 HydrophobicContact CG2-CG2 4.1Å; V304-D306 PolarHBondContact O-N 3Å; V304-V307 WeakPolarHBondContact O-CB 3.4Å; V304-V307 WeakPolarHBondContact O-CG2 3.34Å; V304-V307 PolarHBondContact O-N 3.32Å; V304-F318 HydrophobicContact CB-CD2 4.42Å; V304-F318 HydrophobicContact CB-CE2 4.11Å; V304-F318 HydrophobicContact CG1-CD2 4.16Å; V304-F318 HydrophobicContact CG1-CE2 3.81Å; V304-F318 HydrophobicContact CG2-CD2 3.58Å; V304-F318 HydrophobicContact CG2-CE2 3.67Å
305L98.8Very high98Very high3 Ų345.7 Ų45.72%0.01624%0.24CC..G310 helixtrans-68.2-19-177.9-63-178.7000113.2P157 G158 R159 N284 A287 F288 E291 A303P157-L305 CarbonylContact C-O 3.57Å; G158-L305 PolarHBondContact N-O 3.27Å; R159-L305 HydrophobicContact CG-CB 4.13Å; R159-L305 WeakPolarHBondContact CG-O 3.4Å; R159-L305 PolarHBondContact N-O 3.4Å; N284-L305 HydrophobicContact CB-CD2 4.42Å; N284-L305 WeakPolarHBondContact O-CD2 3.45Å; A287-L305 HydrophobicContact CB-CD2 3.68Å; A287-L305 HydrophobicContact CB-CG 3.88Å; F288-L305 HydrophobicContact CB-CD1 4.44Å; F288-L305 HydrophobicContact CB-CD2 4.2Å; F288-L305 HydrophobicContact CD2-CD1 4.45Å; E291-L305 HydrophobicContact CG-CD1 4.32Å; A303-L305 VanDerWaalsContact C-N 3.32Å; A303-L305 PolarHBondContact O-N 3.07Å
306D98.8Very high98Very high84 Ų8445.6 Ų45.645%0.44924%0.237SC..G310 helixtrans-87.8-12.5179.3-62.7-50.4000112.9R159 A303 V304 K308R159-D306 WeakPolarHBondContact CG-OD1 3.38Å; R159-D306 IonicContact CZ-OD1 3.93Å; R159-D306 IonicContact CZ-OD2 3.86Å; R159-D306 IonicContact NE-OD1 3.46Å; R159-D306 PolarHBondContact NE-OD1 3.3Å; R159-D306 IonicContact NE-OD2 3.98Å; R159-D306 PolarHBondContact NE-OD2 2.92Å; R159-D306 IonicContact NH2-OD1 3.18Å; R159-D306 IonicContact NH2-OD2 2.9Å; R159-D306 PolarHBondContact NH2-OD2 3.39Å; A303-D306 VanDerWaalsContact CB-OD2 3.28Å; A303-D306 WeakPolarHBondContact CB-OD2 3.47Å; A303-D306 PolarHBondContact O-N 3.3Å; A303-D306 VanDerWaalsContact O-N 3.12Å; V304-D306 PolarHBondContact O-N 3Å; D306-K308 PolarHBondContact O-N 3.45Å
307V98.7Very high97.9Very high9 Ų943.9 Ų43.96%0.05523%0.231CC..PPolyproline II helixtrans-63.2120.7176.5-178.20000109.3L279 T299 E302 V304 P309 V316L279-V307 HydrophobicContact CD1-CB 4.25Å; L279-V307 HydrophobicContact CD1-CG1 4.43Å; L279-V307 HydrophobicContact CD2-CB 4.12Å; L279-V307 HydrophobicContact CD2-CG1 3.62Å; T299-V307 HydrophobicContact CG2-CG2 3.98Å; E302-V307 HydrophobicContact CG-CG2 3.89Å; V304-V307 WeakPolarHBondContact O-CB 3.4Å; V304-V307 WeakPolarHBondContact O-CG2 3.34Å; V304-V307 PolarHBondContact O-N 3.32Å; V307-P309 WeakPolarHBondContact O-CD 3.32Å; V307-V316 HydrophobicContact CG1-CG1 4.41Å
308K98.1Very high97.9Very high161 Ų16143.7 Ų43.770%0.723%0.229SC*.PPolyproline II helixtrans-77.9118172-173.6177.4179.9179.90109.7D306 E310D306-K308 PolarHBondContact O-N 3.45Å; K308-E310 PolarHBondContact O-N 3.42Å
309P98.1Very high97.9Very high5 Ų543.4 Ų43.43%0.03223%0.227CC..PPolyproline II helixtrans-67.1134179.3-17.430.8000111.8L155 Q156 L279 L280 V307L155-P309 HydrophobicContact CB-CB 4.47Å; L155-P309 HydrophobicContact CD2-CB 3.98Å; Q156-P309 WeakPolarHBondContact O-CD 3.22Å; Q156-P309 VanDerWaalsContact O-CG 3.26Å; Q156-P309 WeakPolarHBondContact O-CG 3.25Å; L279-P309 HydrophobicContact CD2-CB 4.02Å; L279-P309 HydrophobicContact CD2-CG 3.87Å; L280-P309 HydrophobicContact CD2-CB 3.85Å; L280-P309 HydrophobicContact CD2-CG 3.51Å; V307-P309 WeakPolarHBondContact O-CD 3.32Å
310E97.8Very high98Very high157 Ų15742.7 Ų42.773%0.73422%0.223SC*.SBendtrans-99.5-21.1174.8-61.8-17916600112.2K308K308-E310 PolarHBondContact O-N 3.42Å
311A98Very high98.1Very high50 Ų5042.4 Ų42.441%0.41322%0.22SC..SBendtrans-151.8154.2-179.700000111.4H313 Q314A311-H313 VanDerWaalsContact C-N 3.27Å; A311-H313 PolarHBondContact O-N 2.89Å; A311-Q314 HydrophobicContact CB-CB 4.48Å; A311-Q314 WeakPolarHBondContact O-CB 3.5Å; A311-Q314 PolarHBondContact O-N 3.3Å
312L97.9Very high98.3Very high13 Ų1337.6 Ų37.67%0.06819%0.19CC..THydrogen-bonded Turntrans-57.5-39.1-178.3-61178.9000113.1V97 A104 E151 A154 L155 L280V97-L312 HydrophobicContact CG1-CB 4.2Å; V97-L312 HydrophobicContact CG1-CD2 4.28Å; V97-L312 HydrophobicContact CG2-CD2 3.96Å; A104-L312 HydrophobicContact CB-CD1 3.99Å; E151-L312 HydrophobicContact CB-CD1 4.26Å; E151-L312 HydrophobicContact CB-CD2 4.32Å; A154-L312 HydrophobicContact CB-CD2 4.16Å; L155-L312 HydrophobicContact CD2-CD2 4.01Å; L280-L312 HydrophobicContact CD1-CD2 4.2Å; L280-L312 WeakPolarHBondContact CD1-O 3.44Å
313H97.6Very high98.4Very high42 Ų4234.2 Ų34.219%0.19418%0.177CC..THydrogen-bonded Turntrans-108.326.2-176.5-51.8-68.5000112.6N101 K102 Y281 A311 R315N101-H313 PolarHBondContact O-CE1 3.45Å; N101-H313 PolarHBondContact O-NE2 2.76Å; K102-H313 PolarHBondContact O-NE2 3.31Å; K102-H313 VanDerWaalsContact O-NE2 3.15Å; Y281-H313 AromaticContact CE1-ND1 3.7Å; Y281-H313 AromaticContact CZ-ND1 3.8Å; Y281-H313 PolarHBondContact OH-ND1 3.49Å; A311-H313 VanDerWaalsContact C-N 3.27Å; A311-H313 PolarHBondContact O-N 2.89Å; H313-R315 PolarHBondContact O-N 3.36Å
314Q97.8Very high98.4Very high35 Ų3536.2 Ų36.216%0.16418%0.183CC..  trans-58.3132176.8174.8177-13.600110.6R278 L279 A311R278-Q314 CarbonylContact C-O 3.56Å; R278-Q314 WeakPolarHBondContact CA-O 3.23Å; L279-Q314 PolarHBondContact N-O 3.28Å; A311-Q314 HydrophobicContact CB-CB 4.48Å; A311-Q314 WeakPolarHBondContact O-CB 3.5Å; A311-Q314 PolarHBondContact O-N 3.3Å
315R97.8Very high98.4Very high73 Ų7336.2 Ų36.228%0.27518%0.183SC..BIsolated β-bridgetrans-92.6147.9171.9-64.7177.7174.7172.72.3111.1T68 K274 G275 K276 L277 R278 H313T68-R315 PolarHBondContact O-NH2 2.9Å; T68-R315 VanDerWaalsContact O-NH2 3.14Å; K274-R315 HydrophobicContact CB-CB 4.33Å; K274-R315 CarbonylContact O-C 3.49Å; K274-R315 WeakPolarHBondContact O-CB 3.49Å; G275-R315 WeakPolarHBondContact O-CD 3.27Å; K276-R315 VanDerWaalsContact O-CD 3.27Å; K276-R315 WeakPolarHBondContact O-CD 3.46Å; K276-R315 WeakPolarHBondContact O-CG 3.31Å; K276-R315 PolarHBondContact O-NE 2.87Å; L277-R315 WeakPolarHBondContact O-CA 3.35Å; L277-R315 WeakPolarHBondContact O-CB 3.48Å; R278-R315 HydrophobicContact CG-CG 4.15Å; H313-R315 PolarHBondContact O-N 3.36Å
316V98.2Very high98.4Very high7 Ų736.1 Ų36.14%0.04218%0.183CC..  trans-136.6149.8170.7-63.70000111.2K274 L277 L279 C283 T299 V307K274-V316 CarbonylContact O-C 3.56Å; K274-V316 WeakPolarHBondContact O-CA 3.35Å; K274-V316 PolarHBondContact O-N 3.14Å; L277-V316 PolarHBondContact O-N 2.81Å; L279-V316 HydrophobicContact CB-CG1 4.31Å; L279-V316 HydrophobicContact CB-CG2 4.4Å; L279-V316 HydrophobicContact CD1-CG1 4.12Å; L279-V316 HydrophobicContact CD1-CG2 3.88Å; L279-V316 HydrophobicContact CD2-CG1 4.4Å; C283-V316 HydrophobicContact CB-CG2 3.92Å; C283-V316 VanDerWaalsContact SG-CG2 3.58Å; T299-V316 HydrophobicContact CG2-CB 4.3Å; V307-V316 HydrophobicContact CG1-CG1 4.41Å
317P98.1Very high98.4Very high23 Ų2336 Ų3615%0.14918%0.18CC..  trans-57.8144.7160.9-2337000109.9A268 T299A268-P317 HydrophobicContact CB-CB 4.45Å; A268-P317 HydrophobicContact CB-CG 3.81Å; T299-P317 WeakPolarHBondContact CA-O 3.4Å; T299-P317 WeakPolarHBondContact O-CB 3.4Å
318F98.7Very high98.4Very high0 Ų038 Ų380%019%0.188CC..EExtended strand (participates in β ladder)trans-141.8113-172.6-164.2-128.7000112.4M250 F264 Y266 L277 C283 M286 A287 A297 V304 L320M250-F318 HydrophobicContact CE-CD1 3.55Å; M250-F318 HydrophobicContact CE-CE1 3.12Å; M250-F318 HydrophobicContact CE-CZ 4.13Å; F264-F318 HydrophobicContact CD1-CD1 4.42Å; F264-F318 HydrophobicContact CE1-CD1 4.06Å; Y266-F318 PolarHBondContact N-O 2.95Å; Y266-F318 PolarHBondContact O-N 3.38Å; L277-F318 HydrophobicContact CD1-CB 4.07Å; L277-F318 HydrophobicContact CD1-CD1 3.8Å; L277-F318 HydrophobicContact CD1-CG 4.36Å; C283-F318 HydrophobicContact CB-CD1 4.46Å; C283-F318 HydrophobicContact CB-CD2 3.66Å; C283-F318 HydrophobicContact CB-CE1 4.45Å; C283-F318 HydrophobicContact CB-CE2 3.71Å; C283-F318 HydrophobicContact CB-CG 4.08Å; C283-F318 HydrophobicContact CB-CZ 4.12Å; C283-F318 WeakPolarHBondContact O-CE2 3.25Å; C283-F318 VanDerWaalsContact O-CZ 3.23Å; C283-F318 WeakPolarHBondContact O-CZ 3.22Å; M286-F318 HydrophobicContact CB-CE1 4.04Å; M286-F318 HydrophobicContact CB-CZ 3.95Å; A287-F318 HydrophobicContact CB-CE2 4.08Å; A287-F318 HydrophobicContact CB-CZ 4.25Å; A297-F318 HydrophobicContact CB-CE2 4.23Å; V304-F318 HydrophobicContact CB-CD2 4.42Å; V304-F318 HydrophobicContact CB-CE2 4.11Å; V304-F318 HydrophobicContact CG1-CD2 4.16Å; V304-F318 HydrophobicContact CG1-CE2 3.81Å; V304-F318 HydrophobicContact CG2-CD2 3.58Å; V304-F318 HydrophobicContact CG2-CE2 3.67Å; F318-L320 HydrophobicContact CD1-CD2 3.69Å; F318-L320 HydrophobicContact CE1-CD2 2.97Å; F318-L320 HydrophobicContact CE1-CG 4.37Å; F318-L320 HydrophobicContact CE2-CD2 4.23Å; F318-L320 HydrophobicContact CZ-CD2 3.29Å
319I98.8Very high98.4Very high0 Ų030.6 Ų30.60%016%0.156CC..EExtended strand (participates in β ladder)trans-125.3130.1176.5-64.487.9000107.6M225 I263 F264 M265 A297 T298 V326 Y329M225-I319 HydrophobicContact CE-CG1 4.49Å; I263-I319 HydrophobicContact CD1-CG2 3.72Å; I263-I319 HydrophobicContact CG1-CG2 4.02Å; F264-I319 WeakPolarHBondContact O-CA 3.37Å; M265-I319 HydrophobicContact CB-CG1 4.32Å; M265-I319 HydrophobicContact CG-CG1 4.1Å; M265-I319 HydrophobicContact CG-CG2 4Å; A297-I319 CarbonylContact C-O 2.99Å; A297-I319 VanDerWaalsContact CA-O 3.29Å; A297-I319 WeakPolarHBondContact CA-O 3.14Å; T298-I319 HydrophobicContact CG2-CB 4.04Å; T298-I319 HydrophobicContact CG2-CG2 4.32Å; T298-I319 PolarHBondContact N-O 3.08Å; T298-I319 PolarHBondContact O-N 3.19Å; I319-V326 HydrophobicContact CG2-CG2 4.43Å; I319-Y329 HydrophobicContact CB-CD1 4.31Å; I319-Y329 HydrophobicContact CB-CE1 4.14Å; I319-Y329 HydrophobicContact CD1-CE1 3.73Å; I319-Y329 HydrophobicContact CG1-CD1 4.16Å; I319-Y329 HydrophobicContact CG1-CE1 3.62Å; I319-Y329 HydrophobicContact CG2-CD1 3.83Å; I319-Y329 HydrophobicContact CG2-CE1 4.16Å; I319-Y329 HydrophobicContact CG2-CG 4.45Å
320L98.8Very high98.4Very high0 Ų031.4 Ų31.40%016%0.16CC..EExtended strand (participates in β ladder)trans-150.1160.9179.469.6100.1000113.2V254 T257 I263 F264 V290 M296 A297 F318V254-L320 HydrophobicContact CG1-CD1 4.02Å; V254-L320 HydrophobicContact CG2-CD1 4.16Å; V254-L320 HydrophobicContact CG2-CD2 3.87Å; T257-L320 HydrophobicContact CG2-CD1 4.17Å; I263-L320 WeakPolarHBondContact CA-O 3.3Å; I263-L320 WeakPolarHBondContact CG1-O 3.41Å; F264-L320 HydrophobicContact CB-CD1 4.25Å; F264-L320 HydrophobicContact CB-CG 4.12Å; F264-L320 HydrophobicContact CD1-CD2 3.78Å; F264-L320 HydrophobicContact CD1-CG 4.12Å; F264-L320 PolarHBondContact N-O 2.82Å; F264-L320 PolarHBondContact O-N 3.31Å; V290-L320 HydrophobicContact CG1-CD1 4.39Å; V290-L320 HydrophobicContact CG2-CD1 3.68Å; M296-L320 CarbonylContact O-C 3.09Å; M296-L320 WeakPolarHBondContact O-CA 3.44Å; M296-L320 WeakPolarHBondContact O-CB 3.32Å; A297-L320 HydrophobicContact CB-CB 3.96Å; F318-L320 HydrophobicContact CD1-CD2 3.69Å; F318-L320 HydrophobicContact CE1-CD2 2.97Å; F318-L320 HydrophobicContact CE1-CG 4.37Å; F318-L320 HydrophobicContact CE2-CD2 4.23Å; F318-L320 HydrophobicContact CZ-CD2 3.29Å
321G98.9Very high98.4Very high0 Ų027.5 Ų27.50%015%0.147CC..EExtended strand (participates in β ladder)trans143.8-140.3165.700000112.4I204 G262 G295 M296I204-G321 VanDerWaalsContact CD1-C 3.45Å; G262-G321 WeakPolarHBondContact O-CA 3.39Å; G295-G321 WeakPolarHBondContact CA-O 3.31Å; M296-G321 PolarHBondContact N-O 3.12Å; M296-G321 PolarHBondContact O-N 2.93Å
322S98.9Very high98.4Very high0 Ų025.2 Ų25.20%013%0.128CC..  trans-55.4127.8177.5-78.20000110.7K205 K206 G261 G262 D324 D325 V326K205-S322 WeakPolarHBondContact O-CA 3.43Å; K205-S322 WeakPolarHBondContact O-CB 3.28Å; K205-S322 PolarHBondContact O-OG 3.48Å; K206-S322 CarbonylContact O-C 3.51Å; K206-S322 WeakPolarHBondContact O-CB 3.42Å; G261-S322 WeakPolarHBondContact CA-OG 3.33Å; G262-S322 PolarHBondContact N-OG 2.78Å; G262-S322 WeakPolarHBondContact O-CB 3.23Å; G262-S322 PolarHBondContact O-N 2.96Å; S322-D324 VanDerWaalsContact C-N 3.32Å; S322-D324 PolarHBondContact O-N 2.79Å; S322-D325 VanDerWaalsContact CB-OD2 3.29Å; S322-D325 WeakPolarHBondContact CB-OD2 3.46Å; S322-D325 PolarHBondContact O-N 3.5Å; S322-D325 VanDerWaalsContact O-N 3.11Å; S322-V326 WeakPolarHBondContact O-CG2 3.3Å; S322-V326 PolarHBondContact O-N 2.98Å
323P98.8Very high98.3Very high25 Ų2525.2 Ų25.216%0.16213%0.128CC..Hα-helixtrans-59.2-39.9-17222.6-34.1000112.9K206 M296 D325 V326 Q327K206-P323 HydrophobicContact CB-CG 4.43Å; K206-P323 VanDerWaalsContact O-CD 3.26Å; K206-P323 WeakPolarHBondContact O-CD 3.27Å; M296-P323 HydrophobicContact CG-CB 3.94Å; M296-P323 HydrophobicContact SD-CB 3.77Å; P323-D325 VanDerWaalsContact C-N 3.33Å; P323-D325 PolarHBondContact O-N 2.74Å; P323-V326 PolarHBondContact O-N 3.49Å; P323-Q327 VanDerWaalsContact O-CB 3.24Å; P323-Q327 WeakPolarHBondContact O-CB 3.26Å; P323-Q327 PolarHBondContact O-N 2.65Å
324D98.8Very high98.2Very high74 Ų7427.8 Ų27.840%0.39614%0.14SC..Hα-helixtrans-68.4-34-179.4-59.5-14.6000111.6K206 K207 S322 E328K206-D324 WeakPolarHBondContact CB-OD2 3.5Å; K206-D324 VanDerWaalsContact O-CB 3.22Å; K206-D324 WeakPolarHBondContact O-CB 3.45Å; K206-D324 VanDerWaalsContact O-CG 3.28Å; K206-D324 PolarHBondContact O-N 3.42Å; K207-D324 HydrophobicContact CB-CB 3.99Å; K207-D324 HydrophobicContact CG-CB 4.18Å; S322-D324 VanDerWaalsContact C-N 3.32Å; S322-D324 PolarHBondContact O-N 2.79Å; D324-E328 WeakPolarHBondContact O-CB 3.43Å; D324-E328 PolarHBondContact O-N 2.86Å; D324-E328 VanDerWaalsContact O-N 3.09Å
325D98.8Very high98.2Very high0 Ų031.3 Ų31.30%016%0.155CC..Hα-helixtrans-73.3-42.3177.4-67.7-47.4000111.3K207 G208 Y228 K232 Y242 I263 S322 P323 E328 Y329K207-D325 WeakPolarHBondContact CG-OD1 3.33Å; K207-D325 IonicContact NZ-OD1 3.6Å; G208-D325 PolarHBondContact N-OD2 3.1Å; Y228-D325 PolarHBondContact OH-O 2.9Å; K232-D325 IonicContact NZ-OD1 3.99Å; Y242-D325 WeakPolarHBondContact CE2-OD1 3.16Å; Y242-D325 PolarHBondContact OH-OD1 3.17Å; I263-D325 HydrophobicContact CB-CB 4.09Å; I263-D325 HydrophobicContact CD1-CB 4.41Å; S322-D325 VanDerWaalsContact CB-OD2 3.29Å; S322-D325 WeakPolarHBondContact CB-OD2 3.46Å; S322-D325 PolarHBondContact O-N 3.5Å; S322-D325 VanDerWaalsContact O-N 3.11Å; P323-D325 VanDerWaalsContact C-N 3.33Å; P323-D325 PolarHBondContact O-N 2.74Å; D325-E328 PolarHBondContact O-N 3.13Å; D325-Y329 PolarHBondContact O-N 3.08Å
326V98.8Very high97.9Very high0 Ų030.3 Ų30.30%015%0.153CC..Hα-helixtrans-65.7-40176.3175.70000110.9I263 M296 T298 I319 S322 P323 E328 Y329 L330I263-V326 HydrophobicContact CD1-CG2 4.04Å; I263-V326 HydrophobicContact CG1-CG2 4.1Å; M296-V326 HydrophobicContact CB-CB 4.03Å; M296-V326 HydrophobicContact CB-CG1 3.84Å; M296-V326 HydrophobicContact CB-CG2 4.29Å; M296-V326 HydrophobicContact CE-CG1 4.37Å; T298-V326 HydrophobicContact CG2-CG1 3.73Å; I319-V326 HydrophobicContact CG2-CG2 4.43Å; S322-V326 WeakPolarHBondContact O-CG2 3.3Å; S322-V326 PolarHBondContact O-N 2.98Å; P323-V326 PolarHBondContact O-N 3.49Å; V326-E328 VanDerWaalsContact C-N 3.34Å; V326-E328 PolarHBondContact O-N 2.96Å; V326-Y329 WeakPolarHBondContact O-CB 3.41Å; V326-Y329 PolarHBondContact O-N 3.46Å; V326-L330 HydrophobicContact CG1-CD1 4.31Å; V326-L330 WeakPolarHBondContact O-CG 3.44Å; V326-L330 PolarHBondContact O-N 3.46Å
327Q98.7Very high97.4Very high83 Ų8334.9 Ų34.939%0.38817%0.174SC..Hα-helixtrans-66.3-36.7176.8-171.458.661.300112.3P323 L330 T331P323-Q327 VanDerWaalsContact O-CB 3.24Å; P323-Q327 WeakPolarHBondContact O-CB 3.26Å; P323-Q327 PolarHBondContact O-N 2.65Å; Q327-L330 PolarHBondContact O-N 3.18Å; Q327-T331 PolarHBondContact O-N 3.07Å; Q327-T331 PolarHBondContact O-OG1 3.07Å
328E98.4Very high96.3Very high50 Ų5042.3 Ų42.323%0.23420%0.204CC..Hα-helixtrans-62.9-42.6173.1-170.9-174.1146.900111.1K207 Y228 K232 D324 D325 V326 T331 C332K207-E328 IonicContact NZ-OE2 2.97Å; K207-E328 PolarHBondContact NZ-OE2 3.49Å; Y228-E328 HydrophobicContact CD2-CG 4.42Å; Y228-E328 HydrophobicContact CE2-CB 4.05Å; Y228-E328 HydrophobicContact CE2-CG 4Å; K232-E328 WeakPolarHBondContact CE-OE1 3.35Å; K232-E328 IonicContact NZ-OE1 2.79Å; K232-E328 PolarHBondContact NZ-OE1 2.91Å; K232-E328 IonicContact NZ-OE2 2.75Å; K232-E328 PolarHBondContact NZ-OE2 3.5Å; D324-E328 WeakPolarHBondContact O-CB 3.43Å; D324-E328 PolarHBondContact O-N 2.86Å; D324-E328 VanDerWaalsContact O-N 3.09Å; D325-E328 PolarHBondContact O-N 3.13Å; V326-E328 VanDerWaalsContact C-N 3.34Å; V326-E328 PolarHBondContact O-N 2.96Å; E328-T331 WeakPolarHBondContact O-CB 3.5Å; E328-T331 PolarHBondContact O-N 2.92Å; E328-C332 PolarHBondContact O-N 3.36Å
329Y98.4Very high94.3Very high6 Ų647.1 Ų47.12%0.02424%0.238CC..Hα-helixtrans-60.9-47.6172.1168.3-105.8000112.3M225 Y228 I319 D325 V326 T331 C332 V333M225-Y329 HydrophobicContact CE-CD2 4.09Å; M225-Y329 HydrophobicContact CE-CE2 3.39Å; M225-Y329 HydrophobicContact SD-CE2 4.31Å; Y228-Y329 HydrophobicContact CD1-CD2 4.3Å; Y228-Y329 HydrophobicContact CG-CD2 4.07Å; I319-Y329 HydrophobicContact CB-CD1 4.31Å; I319-Y329 HydrophobicContact CB-CE1 4.14Å; I319-Y329 HydrophobicContact CD1-CE1 3.73Å; I319-Y329 HydrophobicContact CG1-CD1 4.16Å; I319-Y329 HydrophobicContact CG1-CE1 3.62Å; I319-Y329 HydrophobicContact CG2-CD1 3.83Å; I319-Y329 HydrophobicContact CG2-CE1 4.16Å; I319-Y329 HydrophobicContact CG2-CG 4.45Å; D325-Y329 PolarHBondContact O-N 3.08Å; V326-Y329 WeakPolarHBondContact O-CB 3.41Å; V326-Y329 PolarHBondContact O-N 3.46Å; Y329-T331 PolarHBondContact O-N 2.98Å; Y329-C332 WeakPolarHBondContact O-CA 3.42Å; Y329-C332 VanDerWaalsContact O-CB 3.3Å; Y329-C332 WeakPolarHBondContact O-CB 3.27Å; Y329-C332 PolarHBondContact O-N 3.5Å; Y329-V333 HydrophobicContact CD1-CG2 4.31Å; Y329-V333 HydrophobicContact CD2-CG2 4.47Å; Y329-V333 HydrophobicContact CE1-CG2 3.77Å; Y329-V333 HydrophobicContact CE2-CG2 3.92Å; Y329-V333 PolarHBondContact O-N 3.08Å
330L98.4Very high92.1Very high22 Ų2254.7 Ų54.712%0.11529%0.291CS..Hα-helixtrans-59.9-33.3177.6-74.5173000112.5M296 T298 G300 V326 Q327 C332 V333 Q334M296-L330 HydrophobicContact CE-CD1 4.13Å; T298-L330 HydrophobicContact CG2-CD1 4.35Å; T298-L330 HydrophobicContact CG2-CD2 3.92Å; T298-L330 HydrophobicContact CG2-CG 4.21Å; G300-L330 WeakPolarHBondContact O-CD2 3.44Å; V326-L330 HydrophobicContact CG1-CD1 4.31Å; V326-L330 WeakPolarHBondContact O-CG 3.44Å; V326-L330 PolarHBondContact O-N 3.46Å; Q327-L330 PolarHBondContact O-N 3.18Å; L330-C332 VanDerWaalsContact C-N 3.33Å; L330-V333 PolarHBondContact O-N 3.09Å; L330-Q334 VanDerWaalsContact O-CG 3.32Å; L330-Q334 WeakPolarHBondContact O-CG 3.47Å; L330-Q334 PolarHBondContact O-N 2.95Å
331T97.9Very high91.8Very high75 Ų7557.5 Ų57.546%0.4631%0.305SS..Hα-helixtrans-63.6-40.3174.4-55.30000111.2Q327 E328 Y329 K335Q327-T331 PolarHBondContact O-N 3.07Å; Q327-T331 PolarHBondContact O-OG1 3.07Å; E328-T331 WeakPolarHBondContact O-CB 3.5Å; E328-T331 PolarHBondContact O-N 2.92Å; Y329-T331 PolarHBondContact O-N 2.98Å; T331-K335 WeakPolarHBondContact O-CB 3.39Å; T331-K335 PolarHBondContact O-N 2.78Å; T331-K335 VanDerWaalsContact O-N 3.11Å
332C97.3Very high91.4Very high1 Ų160.5 Ų60.51%0.00732%0.322CS..Hα-helixtrans-61.7-44.7171.3-65.20000111A224 K231 E328 Y329 L330 Q334 K335 H336A224-C332 HydrophobicContact CB-CB 4.22Å; K231-C332 PolarHBondContact NZ-SG 3.27Å; E328-C332 PolarHBondContact O-N 3.36Å; Y329-C332 WeakPolarHBondContact O-CA 3.42Å; Y329-C332 VanDerWaalsContact O-CB 3.3Å; Y329-C332 WeakPolarHBondContact O-CB 3.27Å; Y329-C332 PolarHBondContact O-N 3.5Å; L330-C332 VanDerWaalsContact C-N 3.33Å; C332-Q334 PolarHBondContact O-N 3.46Å; C332-K335 WeakPolarHBondContact O-CB 3.29Å; C332-K335 PolarHBondContact O-N 3.31Å; C332-H336 PolarHBondContact O-CD2 2.9Å; C332-H336 VanDerWaalsContact O-CD2 3.25Å; C332-H336 PolarHBondContact O-N 3.01Å
333V96.8Very high91Very high13 Ų1363.8 Ų63.88%0.07934%0.339CS..Hα-helixtrans-59.4-49.6178.6178.40000111.6A224 G300 Y329 L330 K335 H336 Q337A224-V333 HydrophobicContact CB-CB 4.42Å; A224-V333 HydrophobicContact CB-CG2 3.97Å; G300-V333 WeakPolarHBondContact O-CG1 3.24Å; Y329-V333 HydrophobicContact CD1-CG2 4.31Å; Y329-V333 HydrophobicContact CD2-CG2 4.47Å; Y329-V333 HydrophobicContact CE1-CG2 3.77Å; Y329-V333 HydrophobicContact CE2-CG2 3.92Å; Y329-V333 PolarHBondContact O-N 3.08Å; L330-V333 PolarHBondContact O-N 3.09Å; V333-K335 VanDerWaalsContact C-N 3.3Å; V333-K335 PolarHBondContact O-N 3.2Å; V333-H336 PolarHBondContact O-N 3.4Å; V333-Q337 HydrophobicContact CG1-CG 4.34Å; V333-Q337 WeakPolarHBondContact O-CG 3.45Å; V333-Q337 PolarHBondContact O-N 3.42Å
334Q95.9Very high90.6Very high96 Ų9666.1 Ų66.145%0.44935%0.35SS..Hα-helixtrans-61.5-36.4-179.9-71.2173.24.600112.9L330 C332 K338L330-Q334 VanDerWaalsContact O-CG 3.32Å; L330-Q334 WeakPolarHBondContact O-CG 3.47Å; L330-Q334 PolarHBondContact O-N 2.95Å; C332-Q334 PolarHBondContact O-N 3.46Å; Q334-K338 WeakPolarHBondContact O-CG 3.39Å; Q334-K338 PolarHBondContact O-N 3.2Å
335K96.2Very high90Very high110 Ų11065.6 Ų65.648%0.47835%0.347SS..Hα-helixtrans-61.1-47.9176179-172.1171.9-161.70111.2E227 T331 C332 V333 K338 S339E227-K335 IonicContact OE1-NZ 2.6Å; E227-K335 PolarHBondContact OE1-NZ 2.89Å; E227-K335 IonicContact OE2-NZ 2.91Å; E227-K335 PolarHBondContact OE2-NZ 2.81Å; T331-K335 WeakPolarHBondContact O-CB 3.39Å; T331-K335 PolarHBondContact O-N 2.78Å; T331-K335 VanDerWaalsContact O-N 3.11Å; C332-K335 WeakPolarHBondContact O-CB 3.29Å; C332-K335 PolarHBondContact O-N 3.31Å; V333-K335 VanDerWaalsContact C-N 3.3Å; V333-K335 PolarHBondContact O-N 3.2Å; K335-K338 PolarHBondContact O-N 3.43Å; K335-S339 PolarHBondContact O-OG 2.76Å
336H92.6Very high89.5Confident52 Ų5270 Ų7024%0.24137%0.37CS..Hα-helixtrans-75.3-27-177.5-75.1-78.8000113.4P223 A224 E227 C332 V333 S339 S340P223-H336 WeakPolarHBondContact CB-ND1 3.38Å; A224-H336 HydrophobicContact CB-CB 4.47Å; E227-H336 IonicContact OE2-CD2 3.63Å; E227-H336 IonicContact OE2-CE1 3.67Å; E227-H336 IonicContact OE2-NE2 3.59Å; E227-H336 PolarHBondContact OE2-NE2 2.96Å; C332-H336 PolarHBondContact O-CD2 2.9Å; C332-H336 VanDerWaalsContact O-CD2 3.25Å; C332-H336 PolarHBondContact O-N 3.01Å; V333-H336 PolarHBondContact O-N 3.4Å; H336-S339 PolarHBondContact O-N 3.12Å; H336-S340 PolarHBondContact O-N 3.13Å; H336-S340 PolarHBondContact O-OG 3.48Å
337Q88.4Confident88.8Confident103 Ų10375 Ų7548%0.48140%0.397SS..Hα-helixtrans-66.9-34.1172.3-76.3178.1-14.600113.4V333 S339V333-Q337 HydrophobicContact CG1-CG 4.34Å; V333-Q337 WeakPolarHBondContact O-CG 3.45Å; V333-Q337 PolarHBondContact O-N 3.42Å; Q337-S339 VanDerWaalsContact C-N 3.29Å
338K73.3Confident88Confident179 Ų17974.4 Ų74.478%0.77840%0.397SS*.THydrogen-bonded Turntrans-75.8-17.2177.7-71.4177.6-178.8178.30113.6Q334 K335Q334-K338 WeakPolarHBondContact O-CG 3.39Å; Q334-K338 PolarHBondContact O-N 3.2Å; K335-K338 PolarHBondContact O-N 3.43Å
339S58.3Low87.2Confident101 Ų10176.4 Ų76.471%0.70641%0.411SS*.THydrogen-bonded Turntrans-97.4-1.4-178.9-59.10000113.5K335 H336 Q337K335-S339 PolarHBondContact O-OG 2.76Å; H336-S339 PolarHBondContact O-N 3.12Å; Q337-S339 VanDerWaalsContact C-N 3.29Å
340S52.5Low86.1Confident159 Ų15982.8 Ų82.8100%1.11245%0.446SS*.  trans-103.70176.7-55.20000110.4H336H336-S340 PolarHBondContact O-N 3.13Å; H336-S340 PolarHBondContact O-OG 3.48Å

Retrieved 340 of 340 residues in 138.2 ms (Link to these results)

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