A0A060WH01_ONCMY Loading...

2-aminoethanethiol (cysteamine) dioxygenase b

AlphaFold DB , UniProt , Accession A0A060WH01, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110529936, Length 249 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
1M36.4Very low69.7Low241 Ų241111.7 Ų111.7100%1.18755%0.552SS**  0109.70-70.7-179.2-175.900107.4R3M1-R3 PolarHBondContact O-N 3.36Å
2L41.3Very low72.1Confident178 Ų178111 Ų11193%0.93254%0.543SS*.  trans-67.9118.6179.9-81.7138.7000108.6D4L2-D4 VanDerWaalsContact C-N 3.3Å; L2-D4 PolarHBondContact O-N 2.9Å
3R42.7Very low74.1Confident246 Ų246102.5 Ų102.593%0.92850%0.501SS*.  trans-7193.3164.9-75.5177.5178.7173.3-1.2106.5M1 N5M1-R3 PolarHBondContact O-N 3.36Å; R3-N5 PolarHBondContact O-N 3.04Å
4D46.2Very low75.9Confident141 Ų14195.1 Ų95.175%0.75447%0.466SS*.  trans-57.2101.6154.3-100.5-20000105.8L2 M6L2-D4 VanDerWaalsContact C-N 3.3Å; L2-D4 PolarHBondContact O-N 2.9Å; D4-M6 PolarHBondContact O-N 2.84Å
5N52.4Low77.4Confident141 Ų14197.1 Ų97.175%0.75447%0.466SS*.  trans-67.293.4173.2-163.423.6000105.3R3 T7R3-N5 PolarHBondContact O-N 3.04Å; N5-T7 PolarHBondContact O-N 3.45Å; N5-T7 PolarHBondContact O-OG1 2.76Å
6M68.9Low78.7Confident164 Ų16493.1 Ų93.181%0.80845%0.446SS*.  trans-61.976-174.4-70.4-113.476.400110.1D4 S8D4-M6 PolarHBondContact O-N 2.84Å; M6-S8 PolarHBondContact O-N 3.45Å
7T88.1Confident79.9Confident40 Ų4087.6 Ų87.625%0.24542%0.42CS..  trans-66.5125.7179.8-57.50000107N5 Q11 K12N5-T7 PolarHBondContact O-N 3.45Å; N5-T7 PolarHBondContact O-OG1 2.76Å; T7-Q11 HydrophobicContact CG2-CB 3.7Å; T7-Q11 HydrophobicContact CG2-CG 3.37Å; T7-K12 HydrophobicContact CG2-CG 4.05Å; T7-K12 WeakPolarHBondContact O-CE 3.18Å
8S96.3Very high80.9Confident37 Ų3785.2 Ų85.226%0.25941%0.409SS..  trans-57.3150.5179.466.80000110.6M6 V10 Q11 K12M6-S8 PolarHBondContact O-N 3.45Å; S8-V10 PolarHBondContact O-N 3.27Å; S8-Q11 PolarHBondContact O-N 2.97Å; S8-Q11 VanDerWaalsContact O-N 3.16Å; S8-Q11 VanDerWaalsContact OG-CB 3.31Å; S8-Q11 WeakPolarHBondContact OG-CB 3.23Å; S8-Q11 PolarHBondContact OG-N 3.43Å; S8-K12 PolarHBondContact O-N 3.03Å
9I97.9Very high81.8Confident27 Ų2782.9 Ų82.914%0.13840%0.402CS..Hα-helixtrans-59.7-35.6176.7-172.1165.1000111.6Q11 K12 I13 E45 I46 D50I9-Q11 VanDerWaalsContact C-N 3.34Å; I9-Q11 PolarHBondContact O-N 3.41Å; I9-K12 WeakPolarHBondContact O-CB 3.3Å; I9-K12 PolarHBondContact O-N 3.14Å; I9-K12 VanDerWaalsContact O-N 3.11Å; I9-I13 HydrophobicContact CG1-CD1 4.11Å; I9-I13 HydrophobicContact CG1-CG1 4.41Å; I9-I13 WeakPolarHBondContact O-CG1 3.37Å; I9-I13 PolarHBondContact O-N 3.32Å; I9-E45 HydrophobicContact CD1-CB 3.75Å; I9-I46 HydrophobicContact CD1-CB 4.1Å; I9-I46 HydrophobicContact CG1-CB 4.49Å; I9-I46 HydrophobicContact CG2-CB 4.48Å; I9-I46 HydrophobicContact CG2-CD1 4.11Å; I9-I46 HydrophobicContact CG2-CG1 3.97Å; I9-D50 HydrophobicContact CG2-CB 3.51Å; I9-D50 VanDerWaalsContact CG2-CG 3.41Å
10V98.1Very high82.6Confident0 Ų078.9 Ų78.90%038%0.382CS..Hα-helixtrans-58.5-45.5175.4-1650000111.3S8 K12 I13 A14 I46 D50 L51 I76 M84 V247S8-V10 PolarHBondContact O-N 3.27Å; V10-K12 VanDerWaalsContact C-N 3.34Å; V10-K12 PolarHBondContact O-N 3.31Å; V10-I13 PolarHBondContact O-N 3Å; V10-A14 PolarHBondContact O-N 3.35Å; V10-I46 HydrophobicContact CG2-CD1 4.03Å; V10-D50 HydrophobicContact CG2-CB 4.5Å; V10-L51 HydrophobicContact CB-CD2 4.42Å; V10-L51 HydrophobicContact CG1-CD2 3.98Å; V10-L51 HydrophobicContact CG2-CD2 3.51Å; V10-I76 HydrophobicContact CG1-CG2 4.13Å; V10-M84 HydrophobicContact CG1-CE 3.99Å; V10-V247 HydrophobicContact CB-CG2 4.3Å; V10-V247 HydrophobicContact CG1-CG2 3.62Å
11Q98.4Very high83.3Confident14 Ų1475.5 Ų75.57%0.06537%0.365CS..Hα-helixtrans-66.6-35176.5176.866.580.600112.3T7 S8 I9 R15 K248T7-Q11 HydrophobicContact CG2-CB 3.7Å; T7-Q11 HydrophobicContact CG2-CG 3.37Å; S8-Q11 PolarHBondContact O-N 2.97Å; S8-Q11 VanDerWaalsContact O-N 3.16Å; S8-Q11 VanDerWaalsContact OG-CB 3.31Å; S8-Q11 WeakPolarHBondContact OG-CB 3.23Å; S8-Q11 PolarHBondContact OG-N 3.43Å; I9-Q11 VanDerWaalsContact C-N 3.34Å; I9-Q11 PolarHBondContact O-N 3.41Å; Q11-R15 WeakPolarHBondContact O-CG 3.41Å; Q11-R15 PolarHBondContact O-N 3.04Å; Q11-K248 PolarHBondContact NE2-O 3.46Å; Q11-K248 PolarHBondContact OE1-O 3.38Å
12K98.5Very high86.1Confident103 Ų10371.1 Ų71.145%0.44834%0.336SS..Hα-helixtrans-67-43.7174.6-67.1176.8-176.2174.50111.4T7 S8 I9 V10 R15 Q16 L42T7-K12 HydrophobicContact CG2-CG 4.05Å; T7-K12 WeakPolarHBondContact O-CE 3.18Å; S8-K12 PolarHBondContact O-N 3.03Å; I9-K12 WeakPolarHBondContact O-CB 3.3Å; I9-K12 PolarHBondContact O-N 3.14Å; I9-K12 VanDerWaalsContact O-N 3.11Å; V10-K12 VanDerWaalsContact C-N 3.34Å; V10-K12 PolarHBondContact O-N 3.31Å; K12-R15 PolarHBondContact O-N 3.49Å; K12-Q16 WeakPolarHBondContact O-CB 3.38Å; K12-Q16 PolarHBondContact O-N 2.64Å; K12-L42 HydrophobicContact CB-CD1 4.37Å; K12-L42 HydrophobicContact CB-CD2 4.48Å
13I98.7Very high88.5Confident0 Ų066.2 Ų66.20%031%0.31CS..Hα-helixtrans-57.8-51.6175.9-73.9167.2000109.8I9 V10 R15 Q16 A17 L39 L42 M43 I46 M84 I188I9-I13 HydrophobicContact CG1-CD1 4.11Å; I9-I13 HydrophobicContact CG1-CG1 4.41Å; I9-I13 WeakPolarHBondContact O-CG1 3.37Å; I9-I13 PolarHBondContact O-N 3.32Å; V10-I13 PolarHBondContact O-N 3Å; I13-R15 PolarHBondContact O-N 3.42Å; I13-Q16 CarbonylContact O-C 3.44Å; I13-Q16 PolarHBondContact O-N 3.38Å; I13-Q16 VanDerWaalsContact O-N 3.1Å; I13-A17 WeakPolarHBondContact O-CB 3.5Å; I13-A17 PolarHBondContact O-N 3.48Å; I13-L39 HydrophobicContact CG2-CD1 4.02Å; I13-L42 HydrophobicContact CD1-CB 4.42Å; I13-L42 HydrophobicContact CG1-CB 3.61Å; I13-L42 HydrophobicContact CG1-CD1 4.45Å; I13-M43 HydrophobicContact CD1-SD 4.14Å; I13-M43 HydrophobicContact CG2-SD 3.86Å; I13-I46 HydrophobicContact CD1-CB 3.89Å; I13-I46 HydrophobicContact CD1-CD1 3.62Å; I13-I46 HydrophobicContact CD1-CG1 4.31Å; I13-I46 HydrophobicContact CD1-CG2 4.08Å; I13-M84 HydrophobicContact CG2-SD 3.73Å; I13-I188 HydrophobicContact CG2-CD1 3.51Å
14A98.6Very high90.7Very high0 Ų058.7 Ų58.70%029%0.293CS..Hα-helixtrans-62.8-41.5-176.300000112.6V10 Q16 A17 L18 F82 M84 V247 I249V10-A14 PolarHBondContact O-N 3.35Å; A14-Q16 PolarHBondContact O-N 3.3Å; A14-A17 PolarHBondContact O-N 3.23Å; A14-L18 PolarHBondContact O-N 3.07Å; A14-F82 HydrophobicContact CB-CE2 4.47Å; A14-F82 HydrophobicContact CB-CZ 4.1Å; A14-F82 WeakPolarHBondContact O-CZ 3.36Å; A14-M84 HydrophobicContact CB-CE 3.72Å; A14-V247 HydrophobicContact CB-CG1 3.48Å; A14-V247 VanDerWaalsContact CB-CG1 3.48Å; A14-I249 HydrophobicContact CB-CD1 3.45Å; A14-I249 VanDerWaalsContact CB-CD1 3.45Å
15R98.3Very high92.9Very high125 Ų12557.1 Ų57.147%0.47229%0.293SS..Hα-helixtrans-63.9-41.1173.2-75175.3-179.7171.81.5112.4Q11 K12 I13 A17 L18 V19Q11-R15 WeakPolarHBondContact O-CG 3.41Å; Q11-R15 PolarHBondContact O-N 3.04Å; K12-R15 PolarHBondContact O-N 3.49Å; I13-R15 PolarHBondContact O-N 3.42Å; R15-A17 VanDerWaalsContact C-N 3.34Å; R15-L18 PolarHBondContact O-N 3.03Å; R15-V19 WeakPolarHBondContact O-CB 3.27Å; R15-V19 VanDerWaalsContact O-CG2 3.27Å; R15-V19 WeakPolarHBondContact O-CG2 3.48Å; R15-V19 PolarHBondContact O-N 3.18Å
16Q98.6Very high94.6Very high32 Ų3251.4 Ų51.415%0.1526%0.264CS..Hα-helixtrans-68.5-36178.2-174.556.864.100111.1K12 I13 A14 V19 T20 K38 L39 L42K12-Q16 WeakPolarHBondContact O-CB 3.38Å; K12-Q16 PolarHBondContact O-N 2.64Å; I13-Q16 CarbonylContact O-C 3.44Å; I13-Q16 PolarHBondContact O-N 3.38Å; I13-Q16 VanDerWaalsContact O-N 3.1Å; A14-Q16 PolarHBondContact O-N 3.3Å; Q16-V19 PolarHBondContact O-N 3.16Å; Q16-T20 PolarHBondContact NE2-OG1 3.06Å; Q16-T20 WeakPolarHBondContact O-CB 3.42Å; Q16-T20 PolarHBondContact O-N 2.63Å; Q16-T20 PolarHBondContact O-OG1 2.94Å; Q16-K38 HydrophobicContact CG-CB 4.22Å; Q16-L39 HydrophobicContact CB-CD1 4.18Å; Q16-L39 HydrophobicContact CG-CB 3.96Å; Q16-L39 HydrophobicContact CG-CD1 4.22Å; Q16-L42 HydrophobicContact CB-CD1 3.8Å; Q16-L42 HydrophobicContact CG-CD1 4.07Å
17A98.5Very high95.7Very high0 Ų046.4 Ų46.40%024%0.239CC..Hα-helixtrans-60.9-50.2173.100000111.1I13 A14 R15 V19 T20 F21 L39 F82 I188I13-A17 WeakPolarHBondContact O-CB 3.5Å; I13-A17 PolarHBondContact O-N 3.48Å; A14-A17 PolarHBondContact O-N 3.23Å; R15-A17 VanDerWaalsContact C-N 3.34Å; A17-V19 VanDerWaalsContact C-N 3.29Å; A17-V19 PolarHBondContact O-N 2.98Å; A17-T20 WeakPolarHBondContact O-CB 3.48Å; A17-T20 PolarHBondContact O-N 2.87Å; A17-F21 HydrophobicContact CB-CD2 4.38Å; A17-F21 WeakPolarHBondContact O-CD2 3.19Å; A17-F21 PolarHBondContact O-N 3.02Å; A17-L39 HydrophobicContact CB-CD1 4.19Å; A17-L39 HydrophobicContact CB-CD2 4.15Å; A17-F82 HydrophobicContact CB-CD1 4.14Å; A17-F82 HydrophobicContact CB-CD2 3.88Å; A17-F82 HydrophobicContact CB-CE1 4.15Å; A17-F82 HydrophobicContact CB-CE2 3.87Å; A17-F82 HydrophobicContact CB-CG 4.02Å; A17-F82 HydrophobicContact CB-CZ 4.01Å; A17-I188 HydrophobicContact CB-CD1 4.46Å; A17-I188 HydrophobicContact CB-CG2 4.41Å
18L98.1Very high95.8Very high44 Ų4447 Ų4723%0.2325%0.252CS..Hα-helixtrans-55.2-46.3174.1-17567.5000111.6A14 R15 T20 F21 R22 E81 F82 I249A14-L18 PolarHBondContact O-N 3.07Å; R15-L18 PolarHBondContact O-N 3.03Å; L18-T20 VanDerWaalsContact C-N 3.28Å; L18-T20 PolarHBondContact O-N 3.35Å; L18-F21 PolarHBondContact O-N 3.05Å; L18-R22 VanDerWaalsContact O-CB 3.23Å; L18-R22 WeakPolarHBondContact O-CB 3.46Å; L18-R22 WeakPolarHBondContact O-CG 3.16Å; L18-R22 PolarHBondContact O-N 3.12Å; L18-E81 HydrophobicContact CD1-CB 4.14Å; L18-E81 HydrophobicContact CD1-CG 3.95Å; L18-E81 WeakPolarHBondContact CD1-OE2 3.11Å; L18-F82 HydrophobicContact CB-CE1 3.97Å; L18-F82 HydrophobicContact CD1-CE1 4.48Å; L18-I249 HydrophobicContact CD2-CG2 3.73Å
19V97.5Very high95.7Very high43 Ų4348.5 Ų48.526%0.26126%0.257SS..Hα-helixtrans-59.6-39.6177.91610000112.3R15 Q16 A17 R22R15-V19 WeakPolarHBondContact O-CB 3.27Å; R15-V19 VanDerWaalsContact O-CG2 3.27Å; R15-V19 WeakPolarHBondContact O-CG2 3.48Å; R15-V19 PolarHBondContact O-N 3.18Å; Q16-V19 PolarHBondContact O-N 3.16Å; A17-V19 VanDerWaalsContact C-N 3.29Å; A17-V19 PolarHBondContact O-N 2.98Å; V19-R22 PolarHBondContact O-NE 3.34Å; V19-R22 VanDerWaalsContact O-NE 3.14Å
20T98.1Very high95.6Very high2 Ų256.3 Ų56.31%0.01229%0.29CS..Hα-helixtrans-71.6-42.3-178.6-60.60000111.8Q16 A17 L18 F32 N35 Q36Q16-T20 PolarHBondContact NE2-OG1 3.06Å; Q16-T20 WeakPolarHBondContact O-CB 3.42Å; Q16-T20 PolarHBondContact O-N 2.63Å; Q16-T20 PolarHBondContact O-OG1 2.94Å; A17-T20 WeakPolarHBondContact O-CB 3.48Å; A17-T20 PolarHBondContact O-N 2.87Å; L18-T20 VanDerWaalsContact C-N 3.28Å; L18-T20 PolarHBondContact O-N 3.35Å; T20-F32 HydrophobicContact CG2-CD2 4.17Å; T20-F32 HydrophobicContact CG2-CE2 3.85Å; T20-F32 WeakPolarHBondContact O-CD2 3.36Å; T20-N35 HydrophobicContact CG2-CB 4.26Å; T20-N35 WeakPolarHBondContact OG1-CB 3.33Å; T20-N35 PolarHBondContact OG1-O 2.95Å; T20-Q36 HydrophobicContact CG2-CB 4.34Å
21F97.6Very high95.5Very high7 Ų759.3 Ų59.33%0.03132%0.315CS..Hα-helixtrans-103.2-10.1-167.2-61.4-63.8000115.6A17 L18 N23 F27 F32 L39 E81 F82 Y104 I188 A190A17-F21 HydrophobicContact CB-CD2 4.38Å; A17-F21 WeakPolarHBondContact O-CD2 3.19Å; A17-F21 PolarHBondContact O-N 3.02Å; L18-F21 PolarHBondContact O-N 3.05Å; F21-N23 PolarHBondContact O-N 2.78Å; F21-F27 HydrophobicContact CD1-CE1 4.28Å; F21-F27 HydrophobicContact CD1-CZ 4.26Å; F21-F32 HydrophobicContact CD1-CE2 4.11Å; F21-F32 HydrophobicContact CE1-CE2 4.06Å; F21-F32 HydrophobicContact CE1-CZ 4.29Å; F21-L39 HydrophobicContact CE2-CD2 3.74Å; F21-L39 HydrophobicContact CZ-CD2 4.25Å; F21-E81 HydrophobicContact CB-CB 4.39Å; F21-F82 HydrophobicContact CD2-CB 4.43Å; F21-Y104 HydrophobicContact CE1-CD2 4.41Å; F21-Y104 HydrophobicContact CE1-CG 4Å; F21-I188 HydrophobicContact CE2-CG2 4.34Å; F21-A190 HydrophobicContact CB-CB 3.91Å; F21-A190 HydrophobicContact CD1-CB 3.51Å; F21-A190 HydrophobicContact CD2-CB 3.4Å; F21-A190 HydrophobicContact CE1-CB 3.79Å; F21-A190 HydrophobicContact CE2-CB 3.68Å; F21-A190 HydrophobicContact CG-CB 3.31Å; F21-A190 HydrophobicContact CZ-CB 3.87Å
22R95.3Very high95.5Very high150 Ų15058.8 Ų58.857%0.56631%0.312SS*.SBendtrans-58-17.7-179.662.8177.3149.3-178.9-5.5117.8L18 V19 E81L18-R22 VanDerWaalsContact O-CB 3.23Å; L18-R22 WeakPolarHBondContact O-CB 3.46Å; L18-R22 WeakPolarHBondContact O-CG 3.16Å; L18-R22 PolarHBondContact O-N 3.12Å; V19-R22 PolarHBondContact O-NE 3.34Å; V19-R22 VanDerWaalsContact O-NE 3.14Å; R22-E81 HydrophobicContact CB-CG 4.3Å
23N92.5Very high95.4Very high74 Ų7457.8 Ų57.840%0.39631%0.312SS..  trans-129.688.6-177.3-171.714.2000111.4F21 S25 S26F21-N23 PolarHBondContact O-N 2.78Å; N23-S25 PolarHBondContact ND2-OG 3.02Å; N23-S25 PolarHBondContact O-N 3.17Å; N23-S25 VanDerWaalsContact O-N 3.12Å; N23-S25 PolarHBondContact OD1-N 2.92Å; N23-S25 PolarHBondContact OD1-OG 3.36Å; N23-S26 WeakPolarHBondContact O-CB 3.46Å; N23-S26 PolarHBondContact O-N 3.5Å; N23-S26 PolarHBondContact O-OG 3.1Å
24P89.4Confident95.3Very high88 Ų8859.4 Ų59.457%0.57133%0.328SS*.G310 helixtrans-55.8-30179.4-27.235.5000114.1S26 F27P24-S26 PolarHBondContact O-N 3.38Å; P24-S26 VanDerWaalsContact O-N 3.16Å; P24-F27 HydrophobicContact CB-CD2 4.37Å; P24-F27 HydrophobicContact CB-CE2 4.02Å; P24-F27 HydrophobicContact CB-CZ 4.18Å; P24-F27 HydrophobicContact CG-CZ 4.34Å; P24-F27 WeakPolarHBondContact O-CB 3.37Å; P24-F27 VanDerWaalsContact O-CG 3.3Å; P24-F27 WeakPolarHBondContact O-CG 3.3Å; P24-F27 PolarHBondContact O-N 3.48Å
25S90.8Very high95.3Very high108 Ų10861 Ų6176%0.75534%0.336SS*.G310 helixtrans-69.1-12.9179.282.40000113.8N23N23-S25 PolarHBondContact ND2-OG 3.02Å; N23-S25 PolarHBondContact O-N 3.17Å; N23-S25 VanDerWaalsContact O-N 3.12Å; N23-S25 PolarHBondContact OD1-N 2.92Å; N23-S25 PolarHBondContact OD1-OG 3.36Å
26S88.3Confident95.3Very high21 Ų2156.2 Ų56.215%0.14732%0.319CS..G310 helixtrans-95.9-3.117865.70000113.1N23 P24 G28 D29 F32N23-S26 WeakPolarHBondContact O-CB 3.46Å; N23-S26 PolarHBondContact O-N 3.5Å; N23-S26 PolarHBondContact O-OG 3.1Å; P24-S26 PolarHBondContact O-N 3.38Å; P24-S26 VanDerWaalsContact O-N 3.16Å; S26-G28 PolarHBondContact O-N 2.84Å; S26-D29 WeakPolarHBondContact CA-OD2 3.43Å; S26-D29 WeakPolarHBondContact CB-OD2 3.5Å; S26-D29 WeakPolarHBondContact O-CB 3.19Å; S26-D29 PolarHBondContact O-N 3.47Å; S26-D29 VanDerWaalsContact O-OD1 3.07Å; S26-F32 WeakPolarHBondContact O-CB 3.48Å
27F92.4Very high95.3Very high60 Ų6058.1 Ų58.126%0.26334%0.335SS..THydrogen-bonded Turntrans-58.3129.3-176.8-69.4-6.8000111.7F21 P24 D29 F32 Y104F21-F27 HydrophobicContact CD1-CE1 4.28Å; F21-F27 HydrophobicContact CD1-CZ 4.26Å; P24-F27 HydrophobicContact CB-CD2 4.37Å; P24-F27 HydrophobicContact CB-CE2 4.02Å; P24-F27 HydrophobicContact CB-CZ 4.18Å; P24-F27 HydrophobicContact CG-CZ 4.34Å; P24-F27 WeakPolarHBondContact O-CB 3.37Å; P24-F27 VanDerWaalsContact O-CG 3.3Å; P24-F27 WeakPolarHBondContact O-CG 3.3Å; P24-F27 PolarHBondContact O-N 3.48Å; F27-D29 VanDerWaalsContact C-N 3.32Å; F27-D29 PolarHBondContact O-N 3.11Å; F27-F32 AromaticContact CD1-CD2 3.57Å; F27-F32 HydrophobicContact CD1-CD2 3.57Å; F27-F32 AromaticContact CD1-CE2 3.5Å; F27-F32 HydrophobicContact CD1-CE2 3.5Å; F27-F32 VanDerWaalsContact CD1-CE2 3.5Å; F27-F32 HydrophobicContact CD1-CG 4.32Å; F27-F32 HydrophobicContact CD1-CZ 4.21Å; F27-F32 HydrophobicContact CE1-CD2 4.06Å; F27-F32 AromaticContact CE1-CE2 3.76Å; F27-F32 HydrophobicContact CE1-CE2 3.76Å; F27-F32 HydrophobicContact CG-CE2 4.3Å; F27-Y104 HydrophobicContact CD2-CD2 4.3Å; F27-Y104 AromaticContact CD2-CE2 3.42Å; F27-Y104 HydrophobicContact CD2-CE2 3.42Å; F27-Y104 VanDerWaalsContact CD2-CE2 3.42Å; F27-Y104 HydrophobicContact CE2-CD2 4.06Å; F27-Y104 AromaticContact CE2-CE2 3.63Å; F27-Y104 HydrophobicContact CE2-CE2 3.63Å; F27-Y104 HydrophobicContact CG-CE2 4.02Å; F27-Y104 HydrophobicContact CZ-CE2 4.37Å
28G90.4Very high95.3Very high51 Ų5163.7 Ų63.753%0.52636%0.359SS..THydrogen-bonded Turntrans84.6-9.4-175.700000115.6S26 F32S26-G28 PolarHBondContact O-N 2.84Å; G28-F32 VanDerWaalsContact N-CD1 3.29Å
29D94.6Very high95.3Very high69 Ų6961.6 Ų61.637%0.36935%0.348SS..SBendtrans-75.816817678.919.1000112.7S26 F27 A31 F32 L33S26-D29 WeakPolarHBondContact CA-OD2 3.43Å; S26-D29 WeakPolarHBondContact CB-OD2 3.5Å; S26-D29 WeakPolarHBondContact O-CB 3.19Å; S26-D29 PolarHBondContact O-N 3.47Å; S26-D29 VanDerWaalsContact O-OD1 3.07Å; F27-D29 VanDerWaalsContact C-N 3.32Å; F27-D29 PolarHBondContact O-N 3.11Å; D29-A31 PolarHBondContact O-N 3.42Å; D29-A31 WeakPolarHBondContact OD1-CB 3.33Å; D29-A31 PolarHBondContact OD1-N 3.21Å; D29-F32 PolarHBondContact O-N 3.16Å; D29-F32 WeakPolarHBondContact OD1-CB 3.31Å; D29-F32 PolarHBondContact OD1-N 3.31Å; D29-L33 VanDerWaalsContact O-CG 3.31Å; D29-L33 WeakPolarHBondContact O-CG 3.48Å; D29-L33 PolarHBondContact O-N 2.97Å
30K95.8Very high95.4Very high192 Ų19263 Ų6384%0.83535%0.352SS*.Hα-helixtrans-60.9-32.4-176.5-173178.3179.8-179.60112.7G34K30-G34 PolarHBondContact O-N 3.06Å
31A95.8Very high95.4Very high62 Ų6265.9 Ų65.951%0.51237%0.372SS..Hα-helixtrans-73.4-45-17900000110.5D29 G34 N35D29-A31 PolarHBondContact O-N 3.42Å; D29-A31 WeakPolarHBondContact OD1-CB 3.33Å; D29-A31 PolarHBondContact OD1-N 3.21Å; A31-G34 PolarHBondContact O-N 3.32Å; A31-N35 PolarHBondContact O-N 3.32Å; A31-N35 PolarHBondContact O-ND2 3.02Å
32F97Very high95.5Very high4 Ų467 Ų672%0.01838%0.378CS..Hα-helixtrans-56.8-52.7172.7172.6-98.4000111.2T20 F21 S26 F27 G28 D29 G34 N35 Q36 Y104T20-F32 HydrophobicContact CG2-CD2 4.17Å; T20-F32 HydrophobicContact CG2-CE2 3.85Å; T20-F32 WeakPolarHBondContact O-CD2 3.36Å; F21-F32 HydrophobicContact CD1-CE2 4.11Å; F21-F32 HydrophobicContact CE1-CE2 4.06Å; F21-F32 HydrophobicContact CE1-CZ 4.29Å; S26-F32 WeakPolarHBondContact O-CB 3.48Å; F27-F32 AromaticContact CD1-CD2 3.57Å; F27-F32 HydrophobicContact CD1-CD2 3.57Å; F27-F32 AromaticContact CD1-CE2 3.5Å; F27-F32 HydrophobicContact CD1-CE2 3.5Å; F27-F32 VanDerWaalsContact CD1-CE2 3.5Å; F27-F32 HydrophobicContact CD1-CG 4.32Å; F27-F32 HydrophobicContact CD1-CZ 4.21Å; F27-F32 HydrophobicContact CE1-CD2 4.06Å; F27-F32 AromaticContact CE1-CE2 3.76Å; F27-F32 HydrophobicContact CE1-CE2 3.76Å; F27-F32 HydrophobicContact CG-CE2 4.3Å; G28-F32 VanDerWaalsContact N-CD1 3.29Å; D29-F32 PolarHBondContact O-N 3.16Å; D29-F32 WeakPolarHBondContact OD1-CB 3.31Å; D29-F32 PolarHBondContact OD1-N 3.31Å; F32-G34 VanDerWaalsContact C-N 3.27Å; F32-G34 PolarHBondContact O-N 2.96Å; F32-N35 CarbonylContact O-C 3.58Å; F32-N35 PolarHBondContact O-N 2.84Å; F32-Q36 WeakPolarHBondContact O-CB 3.38Å; F32-Q36 PolarHBondContact O-N 3.26Å; F32-Y104 HydrophobicContact CE1-CE1 4.15Å; F32-Y104 HydrophobicContact CZ-CD1 4.1Å; F32-Y104 AromaticContact CZ-CE1 3.83Å; F32-Y104 HydrophobicContact CZ-CE1 3.83Å
33L96.5Very high95.6Very high82 Ų8259.8 Ų59.843%0.42935%0.351SS..Hα-helixtrans-59-39.5178.9-66.4174.2000111.7D29 N35 Q36 C37D29-L33 VanDerWaalsContact O-CG 3.31Å; D29-L33 WeakPolarHBondContact O-CG 3.48Å; D29-L33 PolarHBondContact O-N 2.97Å; L33-N35 PolarHBondContact O-N 2.92Å; L33-Q36 PolarHBondContact O-N 3.23Å; L33-C37 PolarHBondContact O-N 3.05Å; L33-C37 PolarHBondContact O-SG 2.97Å
34G98Very high95.9Very high33 Ų3358.7 Ų58.734%0.3435%0.347SS..Hα-helixtrans-63.5-37.6174.600000113.6K30 A31 F32 K38K30-G34 PolarHBondContact O-N 3.06Å; A31-G34 PolarHBondContact O-N 3.32Å; F32-G34 VanDerWaalsContact C-N 3.27Å; F32-G34 PolarHBondContact O-N 2.96Å; G34-K38 WeakPolarHBondContact O-CG 3.42Å; G34-K38 PolarHBondContact O-N 3.24Å
35N98.3Very high96.3Very high33 Ų3360.1 Ų60.118%0.17635%0.347CS..Hα-helixtrans-74-38.4175.6-70.4-30.7000111.9T20 A31 F32 L33 K38 L39T20-N35 HydrophobicContact CG2-CB 4.26Å; T20-N35 WeakPolarHBondContact OG1-CB 3.33Å; T20-N35 PolarHBondContact OG1-O 2.95Å; A31-N35 PolarHBondContact O-N 3.32Å; A31-N35 PolarHBondContact O-ND2 3.02Å; F32-N35 CarbonylContact O-C 3.58Å; F32-N35 PolarHBondContact O-N 2.84Å; L33-N35 PolarHBondContact O-N 2.92Å; N35-K38 PolarHBondContact O-N 2.78Å; N35-L39 PolarHBondContact O-N 3.3Å
36Q97.9Very high96.7Very high26 Ų2655 Ų5512%0.12131%0.311CS..Hα-helixtrans-60.6-45.3174.3-167.2-175.826.100111T20 F32 L33 K38 L39 Q40 M106T20-Q36 HydrophobicContact CG2-CB 4.34Å; F32-Q36 WeakPolarHBondContact O-CB 3.38Å; F32-Q36 PolarHBondContact O-N 3.26Å; L33-Q36 PolarHBondContact O-N 3.23Å; Q36-K38 VanDerWaalsContact C-N 3.34Å; Q36-K38 PolarHBondContact O-N 3.48Å; Q36-L39 PolarHBondContact O-N 3.28Å; Q36-Q40 WeakPolarHBondContact O-CB 3.21Å; Q36-Q40 PolarHBondContact O-N 3.19Å; Q36-M106 HydrophobicContact CG-CE 3.44Å; Q36-M106 VanDerWaalsContact CG-CE 3.44Å
37C98.4Very high97.2Very high71 Ų7158.3 Ų58.348%0.4832%0.32SS..Hα-helixtrans-59.5-42.1175.1-72.70000112.4L33 Q40 S41L33-C37 PolarHBondContact O-N 3.05Å; L33-C37 PolarHBondContact O-SG 2.97Å; C37-Q40 PolarHBondContact O-N 3.39Å; C37-S41 PolarHBondContact O-N 3.03Å; C37-S41 PolarHBondContact O-OG 3.02Å; C37-S41 VanDerWaalsContact O-OG 3.14Å
38K98.6Very high97.5Very high117 Ų11756.2 Ų56.251%0.50931%0.314SS..Hα-helixtrans-63.1-43.4176.1-70.5170.5-173.5170.50111.8Q16 G34 N35 Q36 Q40 S41 L42Q16-K38 HydrophobicContact CG-CB 4.22Å; G34-K38 WeakPolarHBondContact O-CG 3.42Å; G34-K38 PolarHBondContact O-N 3.24Å; N35-K38 PolarHBondContact O-N 2.78Å; Q36-K38 VanDerWaalsContact C-N 3.34Å; Q36-K38 PolarHBondContact O-N 3.48Å; K38-Q40 VanDerWaalsContact C-N 3.33Å; K38-S41 PolarHBondContact O-N 3.09Å; K38-L42 WeakPolarHBondContact O-CG 3.44Å; K38-L42 PolarHBondContact O-N 3.32Å; K38-L42 VanDerWaalsContact O-N 3.11Å
39L98.7Very high97.8Very high0 Ų057.7 Ų57.70%032%0.321CS..Hα-helixtrans-61.4-45.1176.2-176.258.7000110.7I13 Q16 A17 F21 N35 Q36 S41 L42 M43 M106 I188I13-L39 HydrophobicContact CG2-CD1 4.02Å; Q16-L39 HydrophobicContact CB-CD1 4.18Å; Q16-L39 HydrophobicContact CG-CB 3.96Å; Q16-L39 HydrophobicContact CG-CD1 4.22Å; A17-L39 HydrophobicContact CB-CD1 4.19Å; A17-L39 HydrophobicContact CB-CD2 4.15Å; F21-L39 HydrophobicContact CE2-CD2 3.74Å; F21-L39 HydrophobicContact CZ-CD2 4.25Å; N35-L39 PolarHBondContact O-N 3.3Å; Q36-L39 PolarHBondContact O-N 3.28Å; L39-S41 VanDerWaalsContact C-N 3.32Å; L39-S41 PolarHBondContact O-N 3.29Å; L39-L42 PolarHBondContact O-N 2.79Å; L39-M43 HydrophobicContact CD1-CG 4.4Å; L39-M43 HydrophobicContact CG-CG 4.42Å; L39-M43 WeakPolarHBondContact O-CB 3.18Å; L39-M43 VanDerWaalsContact O-CG 3.31Å; L39-M43 WeakPolarHBondContact O-CG 3.4Å; L39-M43 PolarHBondContact O-N 3.33Å; L39-M106 HydrophobicContact CB-CE 4.25Å; L39-M106 HydrophobicContact CB-SD 4.38Å; L39-M106 HydrophobicContact CD2-CE 3.89Å; L39-M106 HydrophobicContact CD2-SD 3.89Å; L39-M106 HydrophobicContact CG-CE 4.14Å; L39-M106 HydrophobicContact CG-SD 3.81Å; L39-I188 HydrophobicContact CD1-CD1 4.21Å
40Q98.7Very high98Very high73 Ų7357.4 Ų57.434%0.34132%0.319SS..Hα-helixtrans-59.8-40.9176.9-174.6177.41.800112.1Q36 C37 K38 M43 T44 P163 I165Q36-Q40 WeakPolarHBondContact O-CB 3.21Å; Q36-Q40 PolarHBondContact O-N 3.19Å; C37-Q40 PolarHBondContact O-N 3.39Å; K38-Q40 VanDerWaalsContact C-N 3.33Å; Q40-M43 PolarHBondContact O-N 2.87Å; Q40-T44 WeakPolarHBondContact O-CB 3.41Å; Q40-T44 PolarHBondContact O-N 3.01Å; Q40-T44 PolarHBondContact O-OG1 2.81Å; Q40-P163 HydrophobicContact CG-CG 3.71Å; Q40-I165 HydrophobicContact CG-CD1 4.34Å
41S98.7Very high98.1Very high62 Ų6248.2 Ų48.243%0.43428%0.279SS..Hα-helixtrans-61.2-47.7174.4-61.60000111.8C37 K38 L39 M43 T44 E45C37-S41 PolarHBondContact O-N 3.03Å; C37-S41 PolarHBondContact O-OG 3.02Å; C37-S41 VanDerWaalsContact O-OG 3.14Å; K38-S41 PolarHBondContact O-N 3.09Å; L39-S41 VanDerWaalsContact C-N 3.32Å; L39-S41 PolarHBondContact O-N 3.29Å; S41-M43 VanDerWaalsContact C-N 3.35Å; S41-M43 PolarHBondContact O-N 3.24Å; S41-T44 WeakPolarHBondContact O-CA 3.39Å; S41-T44 WeakPolarHBondContact O-CB 3.47Å; S41-T44 PolarHBondContact O-N 3.34Å; S41-E45 WeakPolarHBondContact O-CG 3.41Å; S41-E45 PolarHBondContact O-N 2.87Å
42L98.8Very high98.2Very high30 Ų3051.8 Ų51.816%0.15728%0.283CS..Hα-helixtrans-62.5-41.7177.2-67.6170.3000112.2K12 I13 Q16 K38 L39 T44 E45 I46K12-L42 HydrophobicContact CB-CD1 4.37Å; K12-L42 HydrophobicContact CB-CD2 4.48Å; I13-L42 HydrophobicContact CD1-CB 4.42Å; I13-L42 HydrophobicContact CG1-CB 3.61Å; I13-L42 HydrophobicContact CG1-CD1 4.45Å; Q16-L42 HydrophobicContact CB-CD1 3.8Å; Q16-L42 HydrophobicContact CG-CD1 4.07Å; K38-L42 WeakPolarHBondContact O-CG 3.44Å; K38-L42 PolarHBondContact O-N 3.32Å; K38-L42 VanDerWaalsContact O-N 3.11Å; L39-L42 PolarHBondContact O-N 2.79Å; L42-T44 PolarHBondContact O-N 3.29Å; L42-E45 PolarHBondContact O-N 2.64Å; L42-E45 VanDerWaalsContact O-N 3.17Å; L42-I46 PolarHBondContact O-N 3.14Å; L42-I46 VanDerWaalsContact O-N 3.1Å
43M98.6Very high98.1Very high0 Ų052.2 Ų52.20%029%0.286CS..Hα-helixtrans-63.7-28.3173.6-72.5-66.8-76.800112.2I13 L39 Q40 S41 I46 M106 K108 P163 L186 I188I13-M43 HydrophobicContact CD1-SD 4.14Å; I13-M43 HydrophobicContact CG2-SD 3.86Å; L39-M43 HydrophobicContact CD1-CG 4.4Å; L39-M43 HydrophobicContact CG-CG 4.42Å; L39-M43 WeakPolarHBondContact O-CB 3.18Å; L39-M43 VanDerWaalsContact O-CG 3.31Å; L39-M43 WeakPolarHBondContact O-CG 3.4Å; L39-M43 PolarHBondContact O-N 3.33Å; Q40-M43 PolarHBondContact O-N 2.87Å; S41-M43 VanDerWaalsContact C-N 3.35Å; S41-M43 PolarHBondContact O-N 3.24Å; M43-I46 WeakPolarHBondContact O-CG2 3.35Å; M43-M106 HydrophobicContact CE-CB 4.1Å; M43-M106 WeakPolarHBondContact CE-O 3.38Å; M43-M106 HydrophobicContact CG-SD 4.28Å; M43-K108 HydrophobicContact CE-CB 3.89Å; M43-K108 WeakPolarHBondContact O-CD 3.31Å; M43-K108 WeakPolarHBondContact O-CG 3.41Å; M43-P163 HydrophobicContact CB-CB 4.27Å; M43-P163 HydrophobicContact CB-CG 4.01Å; M43-L186 HydrophobicContact CE-CD2 3.89Å; M43-L186 HydrophobicContact CE-CG 4.07Å; M43-L186 HydrophobicContact SD-CD2 3.68Å; M43-L186 HydrophobicContact SD-CG 4.44Å; M43-I188 HydrophobicContact CE-CD1 4.08Å; M43-I188 HydrophobicContact CE-CG1 4.26Å; M43-I188 HydrophobicContact CG-CD1 4.34Å; M43-I188 HydrophobicContact SD-CD1 3.6Å; M43-I188 HydrophobicContact SD-CG1 4.36Å
44T98.6Very high98Very high51 Ų5151.5 Ų51.531%0.31329%0.291SS..Hα-helixtrans-75.6-32.1174.9-57.30000111.5Q40 S41 L42 R47 P163Q40-T44 WeakPolarHBondContact O-CB 3.41Å; Q40-T44 PolarHBondContact O-N 3.01Å; Q40-T44 PolarHBondContact O-OG1 2.81Å; S41-T44 WeakPolarHBondContact O-CA 3.39Å; S41-T44 WeakPolarHBondContact O-CB 3.47Å; S41-T44 PolarHBondContact O-N 3.34Å; L42-T44 PolarHBondContact O-N 3.29Å; T44-R47 PolarHBondContact O-NH1 2.87Å; T44-P163 VanDerWaalsContact OG1-CD 3.23Å; T44-P163 WeakPolarHBondContact OG1-CD 3.36Å
45E98.3Very high97.6Very high118 Ų11853.6 Ų53.655%0.55130%0.299SS*.Hα-helixtrans-80.4-30.5-177.4-74172.9-152.900113.9I9 S41 L42 R47I9-E45 HydrophobicContact CD1-CB 3.75Å; S41-E45 WeakPolarHBondContact O-CG 3.41Å; S41-E45 PolarHBondContact O-N 2.87Å; L42-E45 PolarHBondContact O-N 2.64Å; L42-E45 VanDerWaalsContact O-N 3.17Å; E45-R47 VanDerWaalsContact C-NH1 3.27Å; E45-R47 PolarHBondContact O-NH1 3.07Å
46I98.6Very high96.7Very high1 Ų158 Ų581%0.00531%0.313CS..  trans-62.2142.7-176.8-167.7164.5000112.5I9 V10 I13 L42 M43 D50 L51 K108 M110 L186I9-I46 HydrophobicContact CD1-CB 4.1Å; I9-I46 HydrophobicContact CG1-CB 4.49Å; I9-I46 HydrophobicContact CG2-CB 4.48Å; I9-I46 HydrophobicContact CG2-CD1 4.11Å; I9-I46 HydrophobicContact CG2-CG1 3.97Å; V10-I46 HydrophobicContact CG2-CD1 4.03Å; I13-I46 HydrophobicContact CD1-CB 3.89Å; I13-I46 HydrophobicContact CD1-CD1 3.62Å; I13-I46 HydrophobicContact CD1-CG1 4.31Å; I13-I46 HydrophobicContact CD1-CG2 4.08Å; L42-I46 PolarHBondContact O-N 3.14Å; L42-I46 VanDerWaalsContact O-N 3.1Å; M43-I46 WeakPolarHBondContact O-CG2 3.35Å; I46-D50 HydrophobicContact CD1-CB 4.4Å; I46-D50 HydrophobicContact CG1-CB 3.95Å; I46-L51 HydrophobicContact CD1-CD1 4.41Å; I46-L51 HydrophobicContact CD1-CD2 3.9Å; I46-L51 HydrophobicContact CD1-CG 4.06Å; I46-K108 HydrophobicContact CG2-CG 4.3Å; I46-M110 HydrophobicContact CG1-CE 4.07Å; I46-M110 HydrophobicContact CG2-CE 4.26Å; I46-M110 HydrophobicContact CG2-SD 4.28Å; I46-L186 HydrophobicContact CD1-CD2 4.02Å; I46-L186 HydrophobicContact CG2-CD2 4.18Å
47R98.3Very high95.2Very high90 Ų9065.7 Ų65.734%0.3435%0.346SS..  trans-128162177.3-64.2-63.8-178.3-85.37.8111.2T44 E45 A49 D50 M110 E160T44-R47 PolarHBondContact O-NH1 2.87Å; E45-R47 VanDerWaalsContact C-NH1 3.27Å; E45-R47 PolarHBondContact O-NH1 3.07Å; R47-A49 PolarHBondContact O-N 3.5Å; R47-A49 VanDerWaalsContact O-N 3.14Å; R47-D50 PolarHBondContact N-OD2 3.4Å; R47-D50 WeakPolarHBondContact O-CB 3.37Å; R47-D50 PolarHBondContact O-N 3.34Å; R47-M110 VanDerWaalsContact O-CE 3.27Å; R47-M110 WeakPolarHBondContact O-CE 3.23Å; R47-E160 IonicContact NH2-OE2 2.64Å
48A98.3Very high93.4Very high16 Ų1667 Ų6713%0.13235%0.352CS..G310 helixtrans-55.6-34.7-177.200000112.6D50 L51 K52 I53 M110 Y111A48-D50 VanDerWaalsContact C-N 3.29Å; A48-D50 PolarHBondContact O-N 2.85Å; A48-L51 CarbonylContact O-C 3.54Å; A48-L51 PolarHBondContact O-N 3.21Å; A48-L51 VanDerWaalsContact O-N 3.13Å; A48-K52 PolarHBondContact O-N 3.22Å; A48-K52 VanDerWaalsContact O-N 3.09Å; A48-I53 CarbonylContact C-O 3.3Å; A48-I53 HydrophobicContact CB-CG1 3.93Å; A48-I53 WeakPolarHBondContact CB-O 3.47Å; A48-I53 PolarHBondContact O-N 3.44Å; A48-I53 VanDerWaalsContact O-N 3.09Å; A48-M110 HydrophobicContact CB-CB 4.3Å; A48-Y111 HydrophobicContact CB-CD1 4.21Å
49A97.9Very high91.1Very high82 Ų8267.1 Ų67.168%0.67836%0.358SS*.G310 helixtrans-60.7-3417700000113.3R47 L51 K52R47-A49 PolarHBondContact O-N 3.5Å; R47-A49 VanDerWaalsContact O-N 3.14Å; A49-L51 PolarHBondContact O-N 2.87Å; A49-K52 PolarHBondContact O-N 3.42Å
50D98.3Very high88.6Confident62 Ų6273.4 Ų73.433%0.33240%0.402SS..G310 helixtrans-66.7-28.4177.8-60.8-58.4000112.3I9 V10 I46 R47 A48 P245I9-D50 HydrophobicContact CG2-CB 3.51Å; I9-D50 VanDerWaalsContact CG2-CG 3.41Å; V10-D50 HydrophobicContact CG2-CB 4.5Å; I46-D50 HydrophobicContact CD1-CB 4.4Å; I46-D50 HydrophobicContact CG1-CB 3.95Å; R47-D50 PolarHBondContact N-OD2 3.4Å; R47-D50 WeakPolarHBondContact O-CB 3.37Å; R47-D50 PolarHBondContact O-N 3.34Å; A48-D50 VanDerWaalsContact C-N 3.29Å; A48-D50 PolarHBondContact O-N 2.85Å; D50-P245 WeakPolarHBondContact O-CD 3.5Å
51L98.1Very high85.9Confident0 Ų074.2 Ų74.20%042%0.421CS..G310 helixtrans-92.3-3.4175.6-59.9179.7000112.5V10 I46 A48 A49 I53 I76 V86 M110 L186 Y242 G244V10-L51 HydrophobicContact CB-CD2 4.42Å; V10-L51 HydrophobicContact CG1-CD2 3.98Å; V10-L51 HydrophobicContact CG2-CD2 3.51Å; I46-L51 HydrophobicContact CD1-CD1 4.41Å; I46-L51 HydrophobicContact CD1-CD2 3.9Å; I46-L51 HydrophobicContact CD1-CG 4.06Å; A48-L51 CarbonylContact O-C 3.54Å; A48-L51 PolarHBondContact O-N 3.21Å; A48-L51 VanDerWaalsContact O-N 3.13Å; A49-L51 PolarHBondContact O-N 2.87Å; L51-I53 HydrophobicContact CB-CD1 4.19Å; L51-I53 HydrophobicContact CB-CG1 4.06Å; L51-I53 HydrophobicContact CB-CG2 4.25Å; L51-I53 HydrophobicContact CD1-CD1 4.03Å; L51-I53 PolarHBondContact O-N 3.37Å; L51-I76 HydrophobicContact CD2-CD1 4.13Å; L51-V86 HydrophobicContact CD1-CG2 3.73Å; L51-M110 HydrophobicContact CD1-CE 3.79Å; L51-M110 HydrophobicContact CD1-CG 4.07Å; L51-M110 HydrophobicContact CD1-SD 4.03Å; L51-M110 HydrophobicContact CG-CE 4.39Å; L51-L186 HydrophobicContact CD1-CD1 4.48Å; L51-Y242 HydrophobicContact CB-CE2 4.05Å; L51-Y242 HydrophobicContact CD2-CE2 3.89Å; L51-Y242 WeakPolarHBondContact CD2-OH 3.45Å; L51-G244 VanDerWaalsContact O-CA 3.26Å; L51-G244 WeakPolarHBondContact O-CA 3.41Å; L51-G244 PolarHBondContact O-N 2.85Å
52K97.4Very high83.4Confident136 Ų13675.5 Ų75.559%0.59143%0.43SS*.THydrogen-bonded Turntrans52.435.3-171.5-54.3-174.9-166162.40113.6A48 A49 P243A48-K52 PolarHBondContact O-N 3.22Å; A48-K52 VanDerWaalsContact O-N 3.09Å; A49-K52 PolarHBondContact O-N 3.42Å; K52-P243 HydrophobicContact CB-CG 4.43Å; K52-P243 WeakPolarHBondContact CD-O 3.44Å; K52-P243 WeakPolarHBondContact O-CG 3.44Å
53I96.2Very high80.9Confident14 Ų1479.2 Ų79.27%0.07245%0.454CS..  trans-106.4153173.768.1-178.1000110A48 L51 M74 V86 M110 Y111 A184 P243A48-I53 CarbonylContact C-O 3.3Å; A48-I53 HydrophobicContact CB-CG1 3.93Å; A48-I53 WeakPolarHBondContact CB-O 3.47Å; A48-I53 PolarHBondContact O-N 3.44Å; A48-I53 VanDerWaalsContact O-N 3.09Å; L51-I53 HydrophobicContact CB-CD1 4.19Å; L51-I53 HydrophobicContact CB-CG1 4.06Å; L51-I53 HydrophobicContact CB-CG2 4.25Å; L51-I53 HydrophobicContact CD1-CD1 4.03Å; L51-I53 PolarHBondContact O-N 3.37Å; I53-M74 HydrophobicContact CG2-CE 4.31Å; I53-M74 HydrophobicContact CG2-SD 3.92Å; I53-V86 HydrophobicContact CD1-CG1 3.86Å; I53-M110 HydrophobicContact CD1-CB 4Å; I53-M110 HydrophobicContact CD1-CG 4.12Å; I53-Y111 HydrophobicContact CD1-CE1 4.29Å; I53-Y111 HydrophobicContact CG1-CE1 4.22Å; I53-A184 HydrophobicContact CD1-CB 4.35Å; I53-P243 HydrophobicContact CG2-CG 3.98Å
54A93.6Very high78.6Confident66 Ų6685.1 Ų85.155%0.54549%0.492SS..  trans-146.9156.8176.700000109.7R56A54-R56 PolarHBondContact O-N 3.1Å
55P89.6Confident76.4Confident77 Ų7788 Ų8850%0.551%0.505SS..PPolyproline II helixtrans-52.9128.5172.8-2432000111K57 Y111P55-K57 PolarHBondContact O-N 3.31Å; P55-Y111 HydrophobicContact CB-CD2 4.17Å; P55-Y111 HydrophobicContact CB-CE2 4.19Å; P55-Y111 HydrophobicContact CG-CD1 4.18Å; P55-Y111 HydrophobicContact CG-CD2 3.76Å; P55-Y111 HydrophobicContact CG-CE2 4.22Å; P55-Y111 HydrophobicContact CG-CG 3.75Å
56R78.3Confident74.3Confident126 Ų12687.1 Ų87.148%0.47551%0.51SS..PPolyproline II helixtrans-67.1130.6173.1-66.3-175.9-179.5179.41.4108.4A54 V58 L88 E240A54-R56 PolarHBondContact O-N 3.1Å; R56-V58 PolarHBondContact O-N 3.17Å; R56-L88 HydrophobicContact CG-CD2 4.26Å; R56-E240 IonicContact CZ-OE1 2.65Å; R56-E240 IonicContact CZ-OE2 2.69Å; R56-E240 IonicContact NH1-OE2 3.73Å; R56-E240 PolarHBondContact NH1-OE2 3.39Å; R56-E240 IonicContact NH2-OE1 2.64Å; R56-E240 PolarHBondContact NH2-OE1 2.84Å; R56-E240 IonicContact NH2-OE2 3.96Å; R56-E240 PolarHBondContact NH2-OE2 2.91Å
57K67.4Low72.7Confident188 Ų18894.5 Ų94.582%0.81754%0.544SS*.PPolyproline II helixtrans-61.3123.3166.9-68.6-175.9-179.9-179.30106.9P55 D59P55-K57 PolarHBondContact O-N 3.31Å; K57-D59 VanDerWaalsContact C-N 3.3Å; K57-D59 PolarHBondContact O-N 2.93Å
58V59.7Low71.8Confident98 Ų9894.1 Ų94.159%0.59455%0.549SS*.  trans-69.397.2170.2-176.80000105.3R56 S60R56-V58 PolarHBondContact O-N 3.17Å; V58-S60 PolarHBondContact O-N 3.39Å
59D50.8Low71.4Confident120 Ų12094.5 Ų94.564%0.64255%0.55SS*.  trans-64.8111.2167.9-73-27000106.2K57 A61 S62K57-D59 VanDerWaalsContact C-N 3.3Å; K57-D59 PolarHBondContact O-N 2.93Å; D59-A61 PolarHBondContact O-N 3.33Å; D59-S62 PolarHBondContact O-N 2.94Å
60S46.7Very low71.2Confident132 Ų13291.7 Ų91.792%0.92353%0.525SS*.THydrogen-bonded Turntrans-58.310.5-178.9-51.40000114.9V58V58-S60 PolarHBondContact O-N 3.39Å
61A42.2Very low71.1Confident89 Ų8988.8 Ų88.874%0.73651%0.509SS*.THydrogen-bonded Turntrans-122.5-5.7-17300000114.6D59 T63D59-A61 PolarHBondContact O-N 3.33Å; A61-T63 PolarHBondContact O-N 3.11Å; A61-T63 VanDerWaalsContact O-N 3.16Å
62S45.7Very low71Confident89 Ų8989.5 Ų89.562%0.62251%0.513SS*.  trans-84.396173.869.50000110D59D59-S62 PolarHBondContact O-N 2.94Å
63T46.1Very low71.1Confident109 Ų10985.4 Ų85.467%0.66950%0.495SS*.  trans-46.8136.1159.4-25.40000107.8A61 L65A61-T63 PolarHBondContact O-N 3.11Å; A61-T63 VanDerWaalsContact O-N 3.16Å; T63-L65 VanDerWaalsContact C-N 3.28Å; T63-L65 PolarHBondContact O-N 3.41Å
64P49.7Very low71.2Confident124 Ų12485.3 Ų85.381%0.80549%0.494SS*.  trans-62.196.717616.2-19.9000108.3
65L52.4Low71.4Confident110 Ų11086.5 Ų86.558%0.57649%0.488SS*.  trans-66.8132.1170.3-71.6170.7000106.3T63 H67 N68T63-L65 VanDerWaalsContact C-N 3.28Å; T63-L65 PolarHBondContact O-N 3.41Å; L65-H67 PolarHBondContact O-N 3.14Å; L65-N68 PolarHBondContact O-N 3.46Å; L65-N68 VanDerWaalsContact O-N 3.13Å
66P55.7Low71.8Confident101 Ų10183.7 Ų83.766%0.65647%0.469SS*.THydrogen-bonded Turntrans-60.8-1.4-177.321.5-31.4000114.5
67H64.3Low72.8Confident156 Ų15678.2 Ų78.272%0.72245%0.449SS*.THydrogen-bonded Turntrans-104.3-8.7-178.4-61.2-63.1000114.7L65L65-H67 PolarHBondContact O-N 3.14Å
68N79.9Confident74.2Confident82 Ų8274.7 Ų74.744%0.43944%0.436SS..SBendtrans-90.1121.7-178.5-75.3-8000110.9L65 K90 W236L65-N68 PolarHBondContact O-N 3.46Å; L65-N68 VanDerWaalsContact O-N 3.13Å; N68-K90 VanDerWaalsContact CB-NZ 3.31Å; N68-K90 PolarHBondContact O-NZ 3.14Å; N68-K90 VanDerWaalsContact O-NZ 3.15Å; N68-W236 WeakPolarHBondContact O-CZ2 3.21Å
69P89.9Confident76Confident24 Ų2471.1 Ų71.116%0.15642%0.415CS..  trans-60.4140-175.228.5-37.9000112.6V71 T72 K90 W236P69-V71 WeakPolarHBondContact CB-O 3.41Å; P69-V71 PolarHBondContact O-N 2.85Å; P69-T72 HydrophobicContact CG-CG2 3.66Å; P69-K90 WeakPolarHBondContact O-CE 3.35Å; P69-K90 PolarHBondContact O-NZ 3.25Å; P69-W236 VanDerWaalsContact CA-CE2 3.49Å; P69-W236 VanDerWaalsContact CA-NE1 3.26Å; P69-W236 HydrophobicContact CB-CG 4.48Å
70P93.1Very high78.2Confident23 Ų2372.5 Ų72.515%0.14942%0.422CS..SBendtrans-64.1-30175.326.7-35.1000111.6K90 A93 W236P70-K90 PolarHBondContact O-N 3.29Å; P70-A93 HydrophobicContact CB-CB 4.03Å; P70-A93 WeakPolarHBondContact O-CB 3.42Å; P70-W236 WeakPolarHBondContact CD-O 3.41Å; P70-W236 HydrophobicContact CG-CD2 4.37Å; P70-W236 HydrophobicContact CG-CE3 4.15Å; P70-W236 HydrophobicContact CG-CZ3 4.31Å
71V96.2Very high80.6Confident1 Ų169.3 Ų69.31%0.00639%0.392CS..EExtended strand (participates in β ladder)trans-130.2135.8179.9-175.50000110P69 F87 L88 L89 A93 I95 F235 C237 G238P69-V71 WeakPolarHBondContact CB-O 3.41Å; P69-V71 PolarHBondContact O-N 2.85Å; V71-F87 HydrophobicContact CG1-CB 4.39Å; V71-F87 HydrophobicContact CG1-CD1 3.84Å; V71-L88 CarbonylContact C-O 3.51Å; V71-L88 VanDerWaalsContact CA-O 3.22Å; V71-L88 WeakPolarHBondContact CA-O 3.42Å; V71-L88 WeakPolarHBondContact CG1-O 3.44Å; V71-L89 HydrophobicContact CG1-CD1 3.97Å; V71-L89 HydrophobicContact CG1-CG 4.28Å; V71-L89 HydrophobicContact CG2-CD1 4.48Å; V71-L89 HydrophobicContact CG2-CG 3.9Å; V71-A93 HydrophobicContact CG2-CB 4.49Å; V71-I95 HydrophobicContact CG1-CD1 4.39Å; V71-I95 HydrophobicContact CG1-CG1 4.31Å; V71-I95 HydrophobicContact CG2-CG1 4.14Å; V71-F235 HydrophobicContact CB-CE2 4.12Å; V71-F235 HydrophobicContact CG2-CD2 4.28Å; V71-F235 HydrophobicContact CG2-CE2 3.74Å; V71-C237 WeakPolarHBondContact O-CA 3.39Å; V71-G238 PolarHBondContact O-N 3.41Å
72T96.9Very high83.2Confident14 Ų1465 Ų659%0.08636%0.357CS..EExtended strand (participates in β ladder)trans-113.3153.1170.151.50000111.6P69 F87 L88 G238 E240P69-T72 HydrophobicContact CG-CG2 3.66Å; T72-F87 CarbonylContact O-C 3.56Å; T72-F87 WeakPolarHBondContact O-CA 3.45Å; T72-L88 PolarHBondContact N-O 2.95Å; T72-L88 PolarHBondContact O-N 3.13Å; T72-L88 WeakPolarHBondContact OG1-CB 3.33Å; T72-G238 CarbonylContact C-O 3.52Å; T72-G238 WeakPolarHBondContact CA-O 3.39Å; T72-G238 WeakPolarHBondContact CB-O 3.38Å; T72-E240 WeakPolarHBondContact CB-OE1 3.43Å; T72-E240 PolarHBondContact OG1-OE1 2.98Å; T72-E240 PolarHBondContact OG1-OE2 3.03Å
73Y98.1Very high85.8Confident50 Ų5061.4 Ų61.420%0.19633%0.332CS..EExtended strand (participates in β ladder)trans-123.8126.3178.2178.1-105.6000110.9H75 V86 F87 C237 G238 E240Y73-H75 HydrophobicContact CD1-CB 4.39Å; Y73-H75 HydrophobicContact CE1-CB 3.73Å; Y73-V86 CarbonylContact C-O 3.51Å; Y73-V86 WeakPolarHBondContact CA-O 3.37Å; Y73-F87 AromaticContact CD2-CD1 3.97Å; Y73-F87 HydrophobicContact CD2-CD1 3.97Å; Y73-F87 AromaticContact CD2-CD2 3.97Å; Y73-F87 HydrophobicContact CD2-CD2 3.97Å; Y73-F87 AromaticContact CD2-CE1 3.67Å; Y73-F87 HydrophobicContact CD2-CE1 3.67Å; Y73-F87 AromaticContact CD2-CE2 3.68Å; Y73-F87 HydrophobicContact CD2-CE2 3.68Å; Y73-F87 HydrophobicContact CD2-CG 4.13Å; Y73-F87 AromaticContact CD2-CZ 3.52Å; Y73-F87 HydrophobicContact CD2-CZ 3.52Å; Y73-F87 HydrophobicContact CE2-CD2 4.29Å; Y73-F87 HydrophobicContact CE2-CE1 4.46Å; Y73-F87 AromaticContact CE2-CE2 3.77Å; Y73-F87 HydrophobicContact CE2-CE2 3.77Å; Y73-F87 AromaticContact CE2-CZ 3.87Å; Y73-F87 HydrophobicContact CE2-CZ 3.87Å; Y73-F87 HydrophobicContact CG-CE1 4.26Å; Y73-F87 HydrophobicContact CG-CZ 4.41Å; Y73-C237 VanDerWaalsContact CB-SG 3.57Å; Y73-G238 PolarHBondContact N-O 2.99Å; Y73-E240 PolarHBondContact O-N 3.26Å
74M98.4Very high88.3Confident13 Ų1356.2 Ų56.26%0.06430%0.3CS..EExtended strand (participates in β ladder)trans-102106.8169.7-63177.5-167.800108.9I53 G85 V86 L88 E240I53-M74 HydrophobicContact CG2-CE 4.31Å; I53-M74 HydrophobicContact CG2-SD 3.92Å; M74-G85 CarbonylContact O-C 3.49Å; M74-G85 WeakPolarHBondContact O-CA 3.49Å; M74-V86 HydrophobicContact CB-CB 4.22Å; M74-V86 PolarHBondContact N-O 2.9Å; M74-V86 PolarHBondContact O-N 3.36Å; M74-L88 HydrophobicContact CE-CD1 4.28Å; M74-E240 WeakPolarHBondContact CA-O 3.28Å; M74-E240 HydrophobicContact CE-CG 3.91Å; M74-E240 WeakPolarHBondContact CE-OE1 3.39Å; M74-E240 HydrophobicContact CG-CG 3.51Å
75H98.3Very high90.6Very high90 Ų9050.4 Ų50.442%0.41726%0.262SS..EExtended strand (participates in β ladder)trans-67.1131.5172.4-178.785.1000110.6Y73 Y242Y73-H75 HydrophobicContact CD1-CB 4.39Å; Y73-H75 HydrophobicContact CE1-CB 3.73Å; H75-Y242 WeakPolarHBondContact O-CB 3.43Å
76I98.5Very high92.8Very high19 Ų1945.1 Ų45.110%0.09724%0.235CC..EExtended strand (participates in β ladder)trans-105.2-56.8174.1-60.9169.5000110.7V10 L51 M84 V86 L186 Y242 V247V10-I76 HydrophobicContact CG1-CG2 4.13Å; L51-I76 HydrophobicContact CD2-CD1 4.13Å; I76-M84 HydrophobicContact CB-CE 4.18Å; I76-M84 WeakPolarHBondContact CB-O 3.44Å; I76-M84 HydrophobicContact CD1-CE 4.49Å; I76-M84 HydrophobicContact CD1-CG 4.33Å; I76-M84 HydrophobicContact CG2-CE 3.64Å; I76-M84 PolarHBondContact N-O 3.07Å; I76-V86 HydrophobicContact CD1-CG2 3.99Å; I76-L186 HydrophobicContact CD1-CD1 3.66Å; I76-Y242 HydrophobicContact CD1-CD2 4.35Å; I76-Y242 HydrophobicContact CD1-CE2 3.97Å; I76-Y242 HydrophobicContact CG1-CD1 4.05Å; I76-Y242 HydrophobicContact CG1-CD2 3.83Å; I76-Y242 HydrophobicContact CG1-CE1 4.06Å; I76-Y242 HydrophobicContact CG1-CE2 3.86Å; I76-Y242 HydrophobicContact CG1-CG 3.93Å; I76-Y242 HydrophobicContact CG2-CD1 4.35Å; I76-Y242 HydrophobicContact CG2-CE1 3.99Å; I76-V247 HydrophobicContact CG2-CB 4.19Å; I76-V247 HydrophobicContact CG2-CG2 3.55Å
77C98.2Very high94.8Very high10 Ų1042.3 Ų42.37%0.06821%0.212CC..EExtended strand (participates in β ladder)trans-161.7160.5174.4650000111.1M84 V247 I249C77-M84 PolarHBondContact N-O 3.09Å; C77-M84 PolarHBondContact O-N 2.83Å; C77-V247 HydrophobicContact CB-CB 4.38Å; C77-V247 HydrophobicContact CB-CG1 4.16Å; C77-I249 HydrophobicContact CB-CG1 4.35Å
78E97.9Very high96.4Very high114 Ų11435.4 Ų35.453%0.53318%0.181SC..EExtended strand (participates in β ladder)trans-146.8150.2174.3-179.3173117.800110.4F82 P192E78-F82 WeakPolarHBondContact CA-O 3.34Å; E78-P192 HydrophobicContact CG-CB 4.49Å; E78-P192 HydrophobicContact CG-CG 4Å
79T97.4Very high97.2Very high24 Ų2431.6 Ų31.615%0.14716%0.16CC..  trans-142.1173.4176.7560000108.3E81 F82 P192 I249T79-E81 WeakPolarHBondContact CB-OE2 3.14Å; T79-E81 PolarHBondContact O-N 3.29Å; T79-E81 PolarHBondContact OG1-N 3.1Å; T79-E81 PolarHBondContact OG1-OE2 2.84Å; T79-F82 HydrophobicContact CG2-CE1 4.13Å; T79-F82 PolarHBondContact N-O 3.08Å; T79-F82 PolarHBondContact O-N 3Å; T79-F82 WeakPolarHBondContact OG1-CD1 3.26Å; T79-F82 WeakPolarHBondContact OG1-CE1 3.33Å; T79-F82 PolarHBondContact OG1-N 3.29Å; T79-F82 PolarHBondContact OG1-O 3.12Å; T79-F82 VanDerWaalsContact OG1-O 3.05Å; T79-P192 WeakPolarHBondContact O-CG 3.35Å; T79-I249 HydrophobicContact CG2-CB 4.11Å; T79-I249 HydrophobicContact CG2-CG1 4.15Å; T79-I249 HydrophobicContact CG2-CG2 3.63Å
80D96Very high97.3Very high149 Ų14934.7 Ų34.780%0.79717%0.171SC*.SBendtrans-61.7-26.5172.3-59.6-16.1000111.7P192D80-P192 WeakPolarHBondContact O-CD 3.14Å
81E97.1Very high97.2Very high64 Ų6436.9 Ų36.930%0.29919%0.187SC..SBendtrans-87.3-31.8-177.5-63.876.5-17000114.8L18 F21 R22 T79 A190 P191L18-E81 HydrophobicContact CD1-CB 4.14Å; L18-E81 HydrophobicContact CD1-CG 3.95Å; L18-E81 WeakPolarHBondContact CD1-OE2 3.11Å; F21-E81 HydrophobicContact CB-CB 4.39Å; R22-E81 HydrophobicContact CB-CG 4.3Å; T79-E81 WeakPolarHBondContact CB-OE2 3.14Å; T79-E81 PolarHBondContact O-N 3.29Å; T79-E81 PolarHBondContact OG1-N 3.1Å; T79-E81 PolarHBondContact OG1-OE2 2.84Å; E81-A190 WeakPolarHBondContact O-CA 3.17Å; E81-A190 WeakPolarHBondContact O-CB 3.49Å; E81-P191 WeakPolarHBondContact O-CA 3.5Å
82F98.4Very high96.8Very high0 Ų040.1 Ų40.10%022%0.221CC..  trans-161.9156.1-178.378.7-77.2000113.2A14 A17 L18 F21 E78 T79 M84 I188 L189 A190 I249A14-F82 HydrophobicContact CB-CE2 4.47Å; A14-F82 HydrophobicContact CB-CZ 4.1Å; A14-F82 WeakPolarHBondContact O-CZ 3.36Å; A17-F82 HydrophobicContact CB-CD1 4.14Å; A17-F82 HydrophobicContact CB-CD2 3.88Å; A17-F82 HydrophobicContact CB-CE1 4.15Å; A17-F82 HydrophobicContact CB-CE2 3.87Å; A17-F82 HydrophobicContact CB-CG 4.02Å; A17-F82 HydrophobicContact CB-CZ 4.01Å; L18-F82 HydrophobicContact CB-CE1 3.97Å; L18-F82 HydrophobicContact CD1-CE1 4.48Å; F21-F82 HydrophobicContact CD2-CB 4.43Å; E78-F82 WeakPolarHBondContact CA-O 3.34Å; T79-F82 HydrophobicContact CG2-CE1 4.13Å; T79-F82 PolarHBondContact N-O 3.08Å; T79-F82 PolarHBondContact O-N 3Å; T79-F82 WeakPolarHBondContact OG1-CD1 3.26Å; T79-F82 WeakPolarHBondContact OG1-CE1 3.33Å; T79-F82 PolarHBondContact OG1-N 3.29Å; T79-F82 PolarHBondContact OG1-O 3.12Å; T79-F82 VanDerWaalsContact OG1-O 3.05Å; F82-M84 HydrophobicContact CD2-CB 4.24Å; F82-M84 HydrophobicContact CE2-CB 3.95Å; F82-I188 HydrophobicContact CB-CG2 4.41Å; F82-I188 HydrophobicContact CD2-CG2 4.07Å; F82-L189 CarbonylContact C-O 3.59Å; F82-L189 WeakPolarHBondContact CA-O 3.4Å; F82-L189 WeakPolarHBondContact CB-O 3.31Å; F82-A190 HydrophobicContact CB-CB 3.92Å; F82-I249 HydrophobicContact CZ-CD1 3.99Å
83S98.5Very high96.6Very high13 Ų1340 Ų409%0.09122%0.221CC..EExtended strand (participates in β ladder)trans-114.6150.9166.166.20000110.5I188 L189S83-I188 WeakPolarHBondContact O-CA 3.45Å; S83-L189 PolarHBondContact N-O 3.12Å; S83-L189 PolarHBondContact O-N 3.09Å
84M98.8Very high96.6Very high0 Ų039.6 Ų39.60%023%0.226CC..EExtended strand (participates in β ladder)trans-141130.4177.9-175.5172.666.200110.7V10 I13 A14 I76 C77 F82 L186 D187 I188 V247V10-M84 HydrophobicContact CG1-CE 3.99Å; I13-M84 HydrophobicContact CG2-SD 3.73Å; A14-M84 HydrophobicContact CB-CE 3.72Å; I76-M84 HydrophobicContact CB-CE 4.18Å; I76-M84 WeakPolarHBondContact CB-O 3.44Å; I76-M84 HydrophobicContact CD1-CE 4.49Å; I76-M84 HydrophobicContact CD1-CG 4.33Å; I76-M84 HydrophobicContact CG2-CE 3.64Å; I76-M84 PolarHBondContact N-O 3.07Å; C77-M84 PolarHBondContact N-O 3.09Å; C77-M84 PolarHBondContact O-N 2.83Å; F82-M84 HydrophobicContact CD2-CB 4.24Å; F82-M84 HydrophobicContact CE2-CB 3.95Å; M84-L186 HydrophobicContact CG-CD1 3.81Å; M84-L186 HydrophobicContact SD-CD1 4.29Å; M84-D187 WeakPolarHBondContact CA-O 3.31Å; M84-I188 HydrophobicContact CB-CG1 4.2Å; M84-I188 HydrophobicContact CG-CG1 3.81Å; M84-I188 HydrophobicContact SD-CD1 4.04Å; M84-I188 HydrophobicContact SD-CG1 4Å; M84-V247 HydrophobicContact CE-CG2 4.4Å
85G98.6Very high96.6Very high1 Ų139.4 Ų39.41%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-166175177.500000113.3M74 D187M74-G85 CarbonylContact O-C 3.49Å; M74-G85 WeakPolarHBondContact O-CA 3.49Å; G85-D187 PolarHBondContact N-O 3.04Å; G85-D187 VanDerWaalsContact N-O 3.1Å; G85-D187 PolarHBondContact O-N 2.96Å
86V98.8Very high96.6Very high0 Ų036 Ų360%021%0.211CC..EExtended strand (participates in β ladder)trans-113.6128.6-178.4179.70000109.6L51 I53 Y73 M74 I76 L88 A184 F185 L186L51-V86 HydrophobicContact CD1-CG2 3.73Å; I53-V86 HydrophobicContact CD1-CG1 3.86Å; Y73-V86 CarbonylContact C-O 3.51Å; Y73-V86 WeakPolarHBondContact CA-O 3.37Å; M74-V86 HydrophobicContact CB-CB 4.22Å; M74-V86 PolarHBondContact N-O 2.9Å; M74-V86 PolarHBondContact O-N 3.36Å; I76-V86 HydrophobicContact CD1-CG2 3.99Å; V86-L88 HydrophobicContact CG1-CD1 4.41Å; V86-A184 HydrophobicContact CG1-CB 4.2Å; V86-F185 CarbonylContact C-O 3.56Å; V86-F185 VanDerWaalsContact CA-O 3.31Å; V86-F185 WeakPolarHBondContact CA-O 3.39Å; V86-F185 WeakPolarHBondContact CG1-O 3.41Å; V86-L186 HydrophobicContact CG2-CD1 4Å
87F98.4Very high96.5Very high41 Ų4135.3 Ų35.318%0.1821%0.207CC..EExtended strand (participates in β ladder)trans-95.4135.2167.8-70.2-89.5000110.3V71 T72 Y73 L89 I95 A184 F185 D187V71-F87 HydrophobicContact CG1-CB 4.39Å; V71-F87 HydrophobicContact CG1-CD1 3.84Å; T72-F87 CarbonylContact O-C 3.56Å; T72-F87 WeakPolarHBondContact O-CA 3.45Å; Y73-F87 AromaticContact CD2-CD1 3.97Å; Y73-F87 HydrophobicContact CD2-CD1 3.97Å; Y73-F87 AromaticContact CD2-CD2 3.97Å; Y73-F87 HydrophobicContact CD2-CD2 3.97Å; Y73-F87 AromaticContact CD2-CE1 3.67Å; Y73-F87 HydrophobicContact CD2-CE1 3.67Å; Y73-F87 AromaticContact CD2-CE2 3.68Å; Y73-F87 HydrophobicContact CD2-CE2 3.68Å; Y73-F87 HydrophobicContact CD2-CG 4.13Å; Y73-F87 AromaticContact CD2-CZ 3.52Å; Y73-F87 HydrophobicContact CD2-CZ 3.52Å; Y73-F87 HydrophobicContact CE2-CD2 4.29Å; Y73-F87 HydrophobicContact CE2-CE1 4.46Å; Y73-F87 AromaticContact CE2-CE2 3.77Å; Y73-F87 HydrophobicContact CE2-CE2 3.77Å; Y73-F87 AromaticContact CE2-CZ 3.87Å; Y73-F87 HydrophobicContact CE2-CZ 3.87Å; Y73-F87 HydrophobicContact CG-CE1 4.26Å; Y73-F87 HydrophobicContact CG-CZ 4.41Å; F87-L89 HydrophobicContact CB-CD1 4.06Å; F87-I95 HydrophobicContact CD1-CD1 4.15Å; F87-I95 HydrophobicContact CG-CD1 4.32Å; F87-A184 CarbonylContact O-C 3.54Å; F87-A184 WeakPolarHBondContact O-CA 3.37Å; F87-F185 HydrophobicContact CB-CD1 4.26Å; F87-F185 HydrophobicContact CB-CD2 4.2Å; F87-F185 HydrophobicContact CB-CE1 3.77Å; F87-F185 HydrophobicContact CB-CE2 3.71Å; F87-F185 HydrophobicContact CB-CG 4.48Å; F87-F185 HydrophobicContact CB-CZ 3.47Å; F87-F185 VanDerWaalsContact CB-CZ 3.47Å; F87-F185 HydrophobicContact CD2-CD2 4.19Å; F87-F185 AromaticContact CD2-CE2 3.37Å; F87-F185 HydrophobicContact CD2-CE2 3.37Å; F87-F185 AromaticContact CD2-CZ 3.74Å; F87-F185 HydrophobicContact CD2-CZ 3.74Å; F87-F185 HydrophobicContact CE2-CE2 4.27Å; F87-F185 AromaticContact CG-CE2 3.83Å; F87-F185 HydrophobicContact CG-CE2 3.83Å; F87-F185 AromaticContact CG-CZ 3.74Å; F87-F185 HydrophobicContact CG-CZ 3.74Å; F87-F185 PolarHBondContact N-O 3.01Å; F87-F185 PolarHBondContact O-N 3.23Å; F87-D187 HydrophobicContact CD2-CB 4.22Å; F87-D187 HydrophobicContact CE2-CB 4.22Å
88L97.5Very high96.5Very high12 Ų1235.4 Ų35.46%0.06321%0.207CC..EExtended strand (participates in β ladder)trans-111.4121.8170.4-125.386.1000109.2R56 V71 T72 M74 V86 Y111 A184R56-L88 HydrophobicContact CG-CD2 4.26Å; V71-L88 CarbonylContact C-O 3.51Å; V71-L88 VanDerWaalsContact CA-O 3.22Å; V71-L88 WeakPolarHBondContact CA-O 3.42Å; V71-L88 WeakPolarHBondContact CG1-O 3.44Å; T72-L88 PolarHBondContact N-O 2.95Å; T72-L88 PolarHBondContact O-N 3.13Å; T72-L88 WeakPolarHBondContact OG1-CB 3.33Å; M74-L88 HydrophobicContact CE-CD1 4.28Å; V86-L88 HydrophobicContact CG1-CD1 4.41Å; L88-Y111 WeakPolarHBondContact CD1-OH 3.08Å; L88-Y111 WeakPolarHBondContact CD2-OH 3.49Å; L88-Y111 VanDerWaalsContact CG-OH 3.3Å; L88-Y111 WeakPolarHBondContact CG-OH 3.16Å; L88-A184 HydrophobicContact CD1-CB 3.49Å; L88-A184 VanDerWaalsContact CD1-CB 3.49Å; L88-A184 HydrophobicContact CG-CB 4.15Å
89L96.3Very high96.5Very high2 Ų230 Ų301%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-108130.5176.1-73.467.2000108.9V71 F87 A93 I95 I176 A178 P182 T183 F185V71-L89 HydrophobicContact CG1-CD1 3.97Å; V71-L89 HydrophobicContact CG1-CG 4.28Å; V71-L89 HydrophobicContact CG2-CD1 4.48Å; V71-L89 HydrophobicContact CG2-CG 3.9Å; F87-L89 HydrophobicContact CB-CD1 4.06Å; L89-A93 HydrophobicContact CB-CB 4.39Å; L89-I95 HydrophobicContact CD1-CD1 4.13Å; L89-I95 HydrophobicContact CD1-CG1 4.39Å; L89-I95 HydrophobicContact CD2-CG1 4.27Å; L89-I95 HydrophobicContact CG-CG1 4.47Å; L89-I176 HydrophobicContact CD2-CG2 4.29Å; L89-A178 HydrophobicContact CB-CB 3.9Å; L89-A178 HydrophobicContact CD2-CB 4.24Å; L89-P182 WeakPolarHBondContact O-CA 3.48Å; L89-T183 HydrophobicContact CB-CG2 3.84Å; L89-T183 PolarHBondContact N-O 2.95Å; L89-T183 PolarHBondContact O-N 2.95Å; L89-F185 HydrophobicContact CD1-CD1 4.1Å; L89-F185 HydrophobicContact CD1-CE1 3.51Å; L89-F185 HydrophobicContact CD1-CZ 4.39Å
90K92.8Very high96.5Very high88 Ų8829 Ų2938%0.38318%0.175SC..  trans-66.8163.2169.9-69.2176.6-179.5161.20111.3N68 P69 P70 G92 A93 A178N68-K90 VanDerWaalsContact CB-NZ 3.31Å; N68-K90 PolarHBondContact O-NZ 3.14Å; N68-K90 VanDerWaalsContact O-NZ 3.15Å; P69-K90 WeakPolarHBondContact O-CE 3.35Å; P69-K90 PolarHBondContact O-NZ 3.25Å; P70-K90 PolarHBondContact O-N 3.29Å; K90-G92 PolarHBondContact O-N 2.99Å; K90-A93 HydrophobicContact CB-CB 4.22Å; K90-A93 WeakPolarHBondContact O-CB 3.16Å; K90-A93 PolarHBondContact O-N 3.35Å; K90-A178 WeakPolarHBondContact O-CB 3.24Å
91S90.5Very high96.5Very high69 Ų6923.2 Ų23.248%0.48315%0.146SC..THydrogen-bonded Turntrans-54124.7171.5-44.10000110.5A93 G181S91-A93 PolarHBondContact O-N 3.14Å; S91-G181 WeakPolarHBondContact CB-O 3.48Å; S91-G181 PolarHBondContact OG-O 2.98Å
92G86.9Confident96.3Very high70 Ų7022.6 Ų22.672%0.72216%0.156SC*.THydrogen-bonded Turntrans75.42.7-179.100000115.6K90K90-G92 PolarHBondContact O-N 2.99Å
93A94.3Very high96.3Very high11 Ų1122.6 Ų22.69%0.09116%0.156CC..  trans-79.7151.8171.800000111.2P70 V71 L89 K90 S91 A178P70-A93 HydrophobicContact CB-CB 4.03Å; P70-A93 WeakPolarHBondContact O-CB 3.42Å; V71-A93 HydrophobicContact CG2-CB 4.49Å; L89-A93 HydrophobicContact CB-CB 4.39Å; K90-A93 HydrophobicContact CB-CB 4.22Å; K90-A93 WeakPolarHBondContact O-CB 3.16Å; K90-A93 PolarHBondContact O-N 3.35Å; S91-A93 PolarHBondContact O-N 3.14Å; A93-A178 WeakPolarHBondContact O-CB 3.48Å; A93-A178 PolarHBondContact O-N 3.34Å
94S96.4Very high96.3Very high41 Ų4123.5 Ų23.529%0.28716%0.158SC..EExtended strand (participates in β ladder)trans-133.2148.2172.8-60.50000110I176 D177 F235S94-I176 CarbonylContact C-O 3.48Å; S94-I176 VanDerWaalsContact CA-O 3.22Å; S94-I176 WeakPolarHBondContact CA-O 3.49Å; S94-D177 WeakPolarHBondContact CB-OD1 3.48Å; S94-D177 PolarHBondContact OG-OD1 2.74Å; S94-F235 WeakPolarHBondContact O-CD2 3.22Å
95I98.1Very high96.2Very high10 Ų1023.6 Ų23.65%0.05116%0.159CC..EExtended strand (participates in β ladder)trans-86.3115.6157.7-59.1173.3000105.7V71 F87 L89 H98 Q175 I176 F185 F235V71-I95 HydrophobicContact CG1-CD1 4.39Å; V71-I95 HydrophobicContact CG1-CG1 4.31Å; V71-I95 HydrophobicContact CG2-CG1 4.14Å; F87-I95 HydrophobicContact CD1-CD1 4.15Å; F87-I95 HydrophobicContact CG-CD1 4.32Å; L89-I95 HydrophobicContact CD1-CD1 4.13Å; L89-I95 HydrophobicContact CD1-CG1 4.39Å; L89-I95 HydrophobicContact CD2-CG1 4.27Å; L89-I95 HydrophobicContact CG-CG1 4.47Å; I95-H98 WeakPolarHBondContact CG2-CE1 3.44Å; I95-Q175 WeakPolarHBondContact O-CG 3.39Å; I95-I176 HydrophobicContact CB-CB 4.32Å; I95-I176 HydrophobicContact CD1-CD1 4.31Å; I95-I176 PolarHBondContact N-O 2.88Å; I95-I176 PolarHBondContact O-N 3.04Å; I95-I176 VanDerWaalsContact O-N 3.12Å; I95-F185 HydrophobicContact CD1-CE1 3.95Å; I95-F185 HydrophobicContact CD1-CZ 3.56Å; I95-F235 HydrophobicContact CB-CE2 4.31Å; I95-F235 HydrophobicContact CG1-CE2 4.05Å; I95-F235 HydrophobicContact CG1-CZ 4.43Å; I95-F235 HydrophobicContact CG2-CE2 4.26Å; I95-F235 HydrophobicContact CG2-CZ 4.06Å
96P98.3Very high96.2Very high19 Ų1923.6 Ų23.612%0.12316%0.159CC..EExtended strand (participates in β ladder)trans-57.6162.5-175.7-22.831.7000112.2H98 Y203 P232 F235P96-H98 PolarHBondContact O-N 2.98Å; P96-H98 VanDerWaalsContact O-N 3.1Å; P96-H98 PolarHBondContact O-ND1 2.74Å; P96-Y203 HydrophobicContact CB-CD1 4Å; P96-Y203 HydrophobicContact CB-CE1 4.41Å; P96-Y203 HydrophobicContact CG-CD1 4.46Å; P96-Y203 HydrophobicContact CG-CE1 4.5Å; P96-P232 HydrophobicContact CB-CG 3.96Å; P96-P232 HydrophobicContact CG-CB 4.5Å; P96-P232 HydrophobicContact CG-CG 3.84Å; P96-F235 HydrophobicContact CG-CB 3.6Å; P96-F235 HydrophobicContact CG-CD1 4Å; P96-F235 HydrophobicContact CG-CD2 4.11Å; P96-F235 HydrophobicContact CG-CG 3.61Å
97L98.4Very high96.2Very high3 Ų323.8 Ų23.82%0.01616%0.16CC..EExtended strand (participates in β ladder)trans-54.8119.4175.6178.860.1000110.6F119 L173 H174 Q175 Y203 Y204 V206 L226L97-F119 HydrophobicContact CD1-CD2 3.56Å; L97-F119 HydrophobicContact CD1-CE2 3.81Å; L97-F119 HydrophobicContact CD2-CD2 4.2Å; L97-F119 HydrophobicContact CD2-CE2 4.06Å; L97-L173 HydrophobicContact CD1-CB 4.24Å; L97-H174 VanDerWaalsContact CA-O 3.3Å; L97-H174 WeakPolarHBondContact CA-O 3.32Å; L97-H174 VanDerWaalsContact CD1-C 3.42Å; L97-Q175 HydrophobicContact CB-CB 4.2Å; L97-Y203 CarbonylContact O-C 3.5Å; L97-Y203 WeakPolarHBondContact O-CA 3.36Å; L97-Y204 PolarHBondContact O-N 3.16Å; L97-V206 HydrophobicContact CD2-CG2 4.1Å; L97-L226 HydrophobicContact CD2-CD1 4.05Å; L97-L226 HydrophobicContact CD2-CD2 3.67Å; L97-L226 HydrophobicContact CD2-CG 4.43Å
98H98.2Very high96.2Very high13 Ų1321.9 Ų21.96%0.0615%0.151CC..EExtended strand (participates in β ladder)trans-143.1169.9-177.563.4-75.5000111.5I95 P96 H100 L173 H174 H202 Y203I95-H98 WeakPolarHBondContact CG2-CE1 3.44Å; P96-H98 PolarHBondContact O-N 2.98Å; P96-H98 VanDerWaalsContact O-N 3.1Å; P96-H98 PolarHBondContact O-ND1 2.74Å; H98-H100 AromaticContact CD2-CE1 3.8Å; H98-H100 AromaticContact CD2-NE2 3.45Å; H98-H100 PolarHBondContact CD2-NE2 3.03Å; H98-H100 AromaticContact NE2-CE1 3.58Å; H98-H100 AromaticContact NE2-NE2 3.14Å; H98-H100 PolarHBondContact NE2-NE2 3.26Å; H98-H100 VanDerWaalsContact NE2-NE2 3.14Å; H98-L173 CarbonylContact O-C 3.44Å; H98-L173 VanDerWaalsContact O-CA 3.22Å; H98-L173 WeakPolarHBondContact O-CA 3.22Å; H98-H174 AromaticContact CE1-CD2 3.33Å; H98-H174 PolarHBondContact CE1-CD2 2.81Å; H98-H174 AromaticContact CE1-NE2 3.46Å; H98-H174 PolarHBondContact CE1-NE2 3.43Å; H98-H174 PolarHBondContact N-O 2.74Å; H98-H174 AromaticContact ND1-CD2 3.99Å; H98-H174 PolarHBondContact ND1-O 2.82Å; H98-H174 AromaticContact NE2-CD2 3.5Å; H98-H174 AromaticContact NE2-NE2 3.25Å; H98-H174 PolarHBondContact NE2-NE2 3.15Å; H98-H174 PolarHBondContact O-N 3.34Å; H98-H202 WeakPolarHBondContact CA-O 3.26Å; H98-H202 WeakPolarHBondContact CB-O 3.37Å; H98-Y203 HydrophobicContact CB-CD1 3.93Å; H98-Y203 HydrophobicContact CB-CE1 4.01Å
99D97.4Very high96.2Very high0 Ų021.5 Ų21.50%015%0.149CC..  trans-116.2170.5176.963.54.1000114.6R121 N172 L173 Y193 H202 Y204D99-R121 IonicContact OD2-CZ 2.76Å; D99-R121 IonicContact OD2-NH2 3.66Å; D99-R121 PolarHBondContact OD2-NH2 2.65Å; D99-N172 WeakPolarHBondContact CA-O 3.41Å; D99-L173 HydrophobicContact CB-CD2 3.82Å; D99-L173 HydrophobicContact CB-CG 4.1Å; D99-Y193 PolarHBondContact O-OH 3.38Å; D99-H202 PolarHBondContact N-O 2.76Å; D99-H202 WeakPolarHBondContact OD1-CB 3.47Å; D99-H202 IonicContact OD1-CG 3.85Å; D99-H202 PolarHBondContact OD1-N 3.44Å; D99-H202 IonicContact OD1-ND1 3.44Å; D99-H202 PolarHBondContact OD1-ND1 3.17Å; D99-H202 IonicContact OD2-CG 2.91Å; D99-H202 IonicContact OD2-ND1 3.49Å; D99-Y204 HydrophobicContact CB-CE2 3.9Å; D99-Y204 WeakPolarHBondContact OD2-CE2 3.42Å; D99-Y204 PolarHBondContact OD2-OH 3.48Å
100H97Very high96.4Very high3 Ų321.6 Ų21.61%0.01415%0.15CC..  trans-131.769.4177.8-64.4-82.8000110H98 G102 M103 L166 N172 H174 Y193H98-H100 AromaticContact CD2-CE1 3.8Å; H98-H100 AromaticContact CD2-NE2 3.45Å; H98-H100 PolarHBondContact CD2-NE2 3.03Å; H98-H100 AromaticContact NE2-CE1 3.58Å; H98-H100 AromaticContact NE2-NE2 3.14Å; H98-H100 PolarHBondContact NE2-NE2 3.26Å; H98-H100 VanDerWaalsContact NE2-NE2 3.14Å; H100-G102 PolarHBondContact O-N 2.68Å; H100-G102 VanDerWaalsContact O-N 3.08Å; H100-M103 VanDerWaalsContact C-SD 3.59Å; H100-M103 HydrophobicContact CB-CB 4.02Å; H100-M103 HydrophobicContact CB-CE 4.32Å; H100-M103 HydrophobicContact CB-SD 3.96Å; H100-M103 WeakPolarHBondContact O-CB 3.48Å; H100-M103 PolarHBondContact O-N 3.03Å; H100-L166 HydrophobicContact CB-CD1 4.21Å; H100-N172 PolarHBondContact CD2-O 2.97Å; H100-N172 PolarHBondContact N-O 2.91Å; H100-N172 PolarHBondContact N-OD1 3.47Å; H100-N172 VanDerWaalsContact N-OD1 3.12Å; H100-N172 PolarHBondContact O-ND2 3.21Å; H100-N172 PolarHBondContact O-OD1 3Å; H100-H174 AromaticContact CD2-CE1 3.97Å; H100-H174 AromaticContact CD2-NE2 3.62Å; H100-H174 AromaticContact NE2-CD2 3.79Å; H100-H174 AromaticContact NE2-CE1 3.54Å; H100-H174 AromaticContact NE2-NE2 2.93Å; H100-H174 PolarHBondContact NE2-NE2 3.32Å; H100-Y193 AromaticContact CE1-CZ 3.83Å; H100-Y193 PolarHBondContact CE1-OH 2.87Å; H100-Y193 AromaticContact ND1-CE2 3.95Å; H100-Y193 AromaticContact ND1-CZ 3.39Å; H100-Y193 PolarHBondContact ND1-OH 3.42Å
101P95.3Very high96.6Very high28 Ų2818 Ų1818%0.18213%0.134CC..THydrogen-bonded Turntrans-56116.4-165.7-25.334.8000113.6M103 D200P101-M103 WeakPolarHBondContact O-CG 3.31Å; P101-M103 PolarHBondContact O-N 2.87Å; P101-D200 WeakPolarHBondContact CD-O 3.34Å; P101-D200 WeakPolarHBondContact CG-O 3.44Å
102G94.6Very high96.9Very high50 Ų5016 Ų1652%0.51513%0.125SC..THydrogen-bonded Turntrans73.38.4177.700000115.1H100H100-G102 PolarHBondContact O-N 2.68Å; H100-G102 VanDerWaalsContact O-N 3.08Å
103M97Very high97.4Very high0 Ų015.2 Ų15.20%010%0.101CC..  trans-102.5149.3-171.9-58.7153.465.600112.3H100 P101 T167 P168 L189 A190 P191 Y193H100-M103 VanDerWaalsContact C-SD 3.59Å; H100-M103 HydrophobicContact CB-CB 4.02Å; H100-M103 HydrophobicContact CB-CE 4.32Å; H100-M103 HydrophobicContact CB-SD 3.96Å; H100-M103 WeakPolarHBondContact O-CB 3.48Å; H100-M103 PolarHBondContact O-N 3.03Å; P101-M103 WeakPolarHBondContact O-CG 3.31Å; P101-M103 PolarHBondContact O-N 2.87Å; M103-T167 CarbonylContact O-C 3.51Å; M103-T167 VanDerWaalsContact O-C 3.3Å; M103-P168 WeakPolarHBondContact O-CD 3.36Å; M103-L189 HydrophobicContact CE-CB 3.63Å; M103-L189 HydrophobicContact CE-CD1 3.75Å; M103-L189 HydrophobicContact CE-CD2 4.25Å; M103-L189 HydrophobicContact CE-CG 4.07Å; M103-A190 WeakPolarHBondContact CA-O 3.46Å; M103-P191 WeakPolarHBondContact CE-O 3.39Å; M103-P191 HydrophobicContact CG-CG 4.45Å; M103-P191 WeakPolarHBondContact CG-O 3.38Å; M103-Y193 HydrophobicContact CE-CD1 3.88Å; M103-Y193 HydrophobicContact CE-CD2 4.08Å; M103-Y193 HydrophobicContact CE-CE1 3.95Å; M103-Y193 HydrophobicContact CE-CE2 4.12Å; M103-Y193 HydrophobicContact CE-CG 3.98Å; M103-Y193 HydrophobicContact SD-CD1 3.65Å; M103-Y193 HydrophobicContact SD-CE1 3.72Å; M103-Y193 HydrophobicContact SD-CG 4.29Å
104Y97.9Very high97.6Very high32 Ų3214.7 Ų14.713%0.12510%0.097CC..EExtended strand (participates in β ladder)trans-92.3154160.8-68.6-94.8000109.4F21 F27 F32 L166 T167 P168 L189 A190F21-Y104 HydrophobicContact CE1-CD2 4.41Å; F21-Y104 HydrophobicContact CE1-CG 4Å; F27-Y104 HydrophobicContact CD2-CD2 4.3Å; F27-Y104 AromaticContact CD2-CE2 3.42Å; F27-Y104 HydrophobicContact CD2-CE2 3.42Å; F27-Y104 VanDerWaalsContact CD2-CE2 3.42Å; F27-Y104 HydrophobicContact CE2-CD2 4.06Å; F27-Y104 AromaticContact CE2-CE2 3.63Å; F27-Y104 HydrophobicContact CE2-CE2 3.63Å; F27-Y104 HydrophobicContact CG-CE2 4.02Å; F27-Y104 HydrophobicContact CZ-CE2 4.37Å; F32-Y104 HydrophobicContact CE1-CE1 4.15Å; F32-Y104 HydrophobicContact CZ-CD1 4.1Å; F32-Y104 AromaticContact CZ-CE1 3.83Å; F32-Y104 HydrophobicContact CZ-CE1 3.83Å; Y104-L166 VanDerWaalsContact C-CD1 3.49Å; Y104-L166 WeakPolarHBondContact CA-O 3.05Å; Y104-T167 HydrophobicContact CD1-CG2 3.96Å; Y104-T167 HydrophobicContact CE1-CG2 3.91Å; Y104-P168 HydrophobicContact CD2-CG 4.13Å; Y104-P168 HydrophobicContact CE2-CG 3.78Å; Y104-L189 WeakPolarHBondContact O-CA 3.19Å; Y104-A190 PolarHBondContact N-O 2.98Å; Y104-A190 PolarHBondContact O-N 2.88Å
105G97.5Very high97.7Very high2 Ų217.4 Ų17.42%0.02110%0.101CC..EExtended strand (participates in β ladder)trans-157.3158.7175.400000115L166 I188G105-L166 VanDerWaalsContact CA-CG 3.48Å; G105-L166 PolarHBondContact N-O 3.47Å; G105-L166 PolarHBondContact O-N 2.91Å; G105-I188 CarbonylContact C-O 3.53Å; G105-I188 WeakPolarHBondContact CA-O 3.3Å
106M98.5Very high97.7Very high1 Ų117 Ų171%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-140.4113.3178.3-60.2-163.9-177.700110.7Q36 L39 M43 C164 I165 I188Q36-M106 HydrophobicContact CG-CE 3.44Å; Q36-M106 VanDerWaalsContact CG-CE 3.44Å; L39-M106 HydrophobicContact CB-CE 4.25Å; L39-M106 HydrophobicContact CB-SD 4.38Å; L39-M106 HydrophobicContact CD2-CE 3.89Å; L39-M106 HydrophobicContact CD2-SD 3.89Å; L39-M106 HydrophobicContact CG-CE 4.14Å; L39-M106 HydrophobicContact CG-SD 3.81Å; M43-M106 HydrophobicContact CE-CB 4.1Å; M43-M106 WeakPolarHBondContact CE-O 3.38Å; M43-M106 HydrophobicContact CG-SD 4.28Å; M106-C164 WeakPolarHBondContact CA-O 3.07Å; M106-I165 HydrophobicContact CB-CD1 4.2Å; M106-I165 HydrophobicContact CE-CD1 4.05Å; M106-I165 HydrophobicContact CG-CD1 3.57Å; M106-I165 HydrophobicContact SD-CD1 3.81Å; M106-I188 PolarHBondContact N-O 2.91Å; M106-I188 PolarHBondContact O-N 2.87Å; M106-I188 VanDerWaalsContact O-N 3.12Å
107L98.5Very high97.7Very high4 Ų417.3 Ų17.32%0.02110%0.101CC..EExtended strand (participates in β ladder)trans-105.2120.1178.3-176.9159.3000110.3V109 I116 P163 C164 I176 F185 L186L107-V109 HydrophobicContact CD2-CG2 4.22Å; L107-I116 HydrophobicContact CD1-CD1 4.13Å; L107-I116 HydrophobicContact CD2-CD1 3.91Å; L107-P163 CarbonylContact O-C 3.52Å; L107-P163 WeakPolarHBondContact O-CA 3.27Å; L107-P163 WeakPolarHBondContact O-CB 3.41Å; L107-C164 HydrophobicContact CB-CB 4.38Å; L107-C164 PolarHBondContact N-O 2.84Å; L107-C164 PolarHBondContact O-N 3.26Å; L107-I176 HydrophobicContact CD1-CD1 3.54Å; L107-I176 HydrophobicContact CD1-CG1 4.39Å; L107-F185 HydrophobicContact CD1-CD1 4.23Å; L107-F185 HydrophobicContact CD1-CD2 3.51Å; L107-F185 HydrophobicContact CD1-CE1 4.2Å; L107-F185 HydrophobicContact CD1-CE2 3.47Å; L107-F185 VanDerWaalsContact CD1-CE2 3.47Å; L107-F185 HydrophobicContact CD1-CG 3.88Å; L107-F185 HydrophobicContact CD1-CZ 3.83Å; L107-F185 HydrophobicContact CD2-CB 3.75Å; L107-F185 HydrophobicContact CD2-CD2 4.13Å; L107-F185 HydrophobicContact CD2-CG 3.93Å; L107-F185 HydrophobicContact CG-CB 4.01Å; L107-F185 HydrophobicContact CG-CD2 3.44Å; L107-F185 VanDerWaalsContact CG-CD2 3.44Å; L107-F185 HydrophobicContact CG-CE2 3.92Å; L107-F185 HydrophobicContact CG-CG 3.78Å; L107-L186 CarbonylContact C-O 3.57Å; L107-L186 WeakPolarHBondContact CA-O 3.4Å
108K98.8Very high97.6Very high2 Ų217.2 Ų17.21%0.00910%0.1CC..EExtended strand (participates in β ladder)trans-116.8120173.8178.170.9-178.692.30111.2M43 I46 M110 E159 S161 P163 F185 L186M43-K108 HydrophobicContact CE-CB 3.89Å; M43-K108 WeakPolarHBondContact O-CD 3.31Å; M43-K108 WeakPolarHBondContact O-CG 3.41Å; I46-K108 HydrophobicContact CG2-CG 4.3Å; K108-M110 HydrophobicContact CG-SD 4.22Å; K108-M110 PolarHBondContact O-N 3.12Å; K108-E159 VanDerWaalsContact NZ-C 3.25Å; K108-E159 PolarHBondContact NZ-O 3.02Å; K108-S161 WeakPolarHBondContact CD-O 3.37Å; K108-S161 WeakPolarHBondContact CE-O 3.43Å; K108-S161 PolarHBondContact NZ-O 3.46Å; K108-P163 HydrophobicContact CB-CB 4.33Å; K108-F185 CarbonylContact O-C 3.56Å; K108-F185 WeakPolarHBondContact O-CA 3.41Å; K108-F185 WeakPolarHBondContact O-CB 3.22Å; K108-L186 PolarHBondContact N-O 3.2Å; K108-L186 PolarHBondContact O-N 3.01Å
109V98.7Very high97.4Very high3 Ų317.1 Ų17.12%0.01810%0.099CC..EExtended strand (participates in β ladder)trans-66129.1171.8-178.20000110L107 G112 V114 F157 E159L107-V109 HydrophobicContact CD2-CG2 4.22Å; V109-G112 WeakPolarHBondContact CG1-O 3.49Å; V109-V114 HydrophobicContact CG2-CG2 3.49Å; V109-V114 VanDerWaalsContact CG2-CG2 3.49Å; V109-F157 HydrophobicContact CG2-CB 3.75Å; V109-E159 WeakPolarHBondContact O-CA 3.36Å
110M98.6Very high97.2Very high5 Ų518.2 Ų18.23%0.02511%0.105CC..EExtended strand (participates in β ladder)trans-95.1-34.3-179.8-58.7-49.2-52.700112I46 R47 A48 L51 I53 K108 A184 L186I46-M110 HydrophobicContact CG1-CE 4.07Å; I46-M110 HydrophobicContact CG2-CE 4.26Å; I46-M110 HydrophobicContact CG2-SD 4.28Å; R47-M110 VanDerWaalsContact O-CE 3.27Å; R47-M110 WeakPolarHBondContact O-CE 3.23Å; A48-M110 HydrophobicContact CB-CB 4.3Å; L51-M110 HydrophobicContact CD1-CE 3.79Å; L51-M110 HydrophobicContact CD1-CG 4.07Å; L51-M110 HydrophobicContact CD1-SD 4.03Å; L51-M110 HydrophobicContact CG-CE 4.39Å; I53-M110 HydrophobicContact CD1-CB 4Å; I53-M110 HydrophobicContact CD1-CG 4.12Å; K108-M110 HydrophobicContact CG-SD 4.22Å; K108-M110 PolarHBondContact O-N 3.12Å; M110-A184 HydrophobicContact CB-CB 4.4Å; M110-A184 PolarHBondContact N-O 2.84Å; M110-L186 HydrophobicContact CG-CB 4.14Å; M110-L186 HydrophobicContact SD-CB 3.74Å
111Y97.8Very high96.8Very high11 Ų1123.5 Ų23.54%0.04313%0.125CC..EExtended strand (participates in β ladder)trans-162.1160.117059.5-108.3000111A48 I53 P55 L88 T183 A184A48-Y111 HydrophobicContact CB-CD1 4.21Å; I53-Y111 HydrophobicContact CD1-CE1 4.29Å; I53-Y111 HydrophobicContact CG1-CE1 4.22Å; P55-Y111 HydrophobicContact CB-CD2 4.17Å; P55-Y111 HydrophobicContact CB-CE2 4.19Å; P55-Y111 HydrophobicContact CG-CD1 4.18Å; P55-Y111 HydrophobicContact CG-CD2 3.76Å; P55-Y111 HydrophobicContact CG-CE2 4.22Å; P55-Y111 HydrophobicContact CG-CG 3.75Å; L88-Y111 WeakPolarHBondContact CD1-OH 3.08Å; L88-Y111 WeakPolarHBondContact CD2-OH 3.49Å; L88-Y111 VanDerWaalsContact CG-OH 3.3Å; L88-Y111 WeakPolarHBondContact CG-OH 3.16Å; Y111-T183 WeakPolarHBondContact O-CA 3.3Å; Y111-T183 PolarHBondContact O-OG1 2.84Å; Y111-A184 HydrophobicContact CD1-CB 3.97Å; Y111-A184 HydrophobicContact CD2-CB 4.3Å; Y111-A184 HydrophobicContact CE1-CB 3.44Å; Y111-A184 VanDerWaalsContact CE1-CB 3.44Å; Y111-A184 HydrophobicContact CE2-CB 3.78Å; Y111-A184 HydrophobicContact CG-CB 4.38Å; Y111-A184 PolarHBondContact N-O 3.18Å; Y111-A184 PolarHBondContact O-N 3.1Å; Y111-A184 VanDerWaalsContact O-N 3.15Å
112G96.8Very high96.5Very high28 Ų2824.9 Ų24.929%0.28913%0.13SC..EExtended strand (participates in β ladder)trans74.9-158.1-179.900000110.7V109 E159V109-G112 WeakPolarHBondContact CG1-O 3.49Å; G112-E159 PolarHBondContact N-OE2 2.74Å
113K97.6Very high95.4Very high54 Ų5429.2 Ų29.224%0.23514%0.142CC..EExtended strand (participates in β ladder)trans-135.7135.5-174.5-169.5168.262.1153.20111E156 F157 T158 V179 D180K113-E156 HydrophobicContact CD-CB 4.3Å; K113-E156 WeakPolarHBondContact CD-OE2 3.18Å; K113-E156 WeakPolarHBondContact CE-OE2 3.46Å; K113-E156 HydrophobicContact CG-CB 4.38Å; K113-E156 IonicContact NZ-OE2 2.85Å; K113-E156 PolarHBondContact NZ-OE2 3.26Å; K113-F157 WeakPolarHBondContact CA-O 3.19Å; K113-T158 HydrophobicContact CB-CG2 4.23Å; K113-T158 HydrophobicContact CD-CG2 4.04Å; K113-T158 HydrophobicContact CG-CG2 3.91Å; K113-V179 HydrophobicContact CB-CB 4.21Å; K113-V179 HydrophobicContact CD-CB 4.45Å; K113-V179 HydrophobicContact CD-CG1 4.48Å; K113-V179 HydrophobicContact CG-CB 4.11Å; K113-V179 PolarHBondContact O-N 2.88Å; K113-D180 IonicContact NZ-OD2 2.81Å
114V98.3Very high93.5Very high0 Ų038.6 Ų38.60%018%0.183CC..EExtended strand (participates in β ladder)trans-117.3147.8169.7-61.90000110.2V109 I116 E156 F157 I176 D177 T183 F185V109-V114 HydrophobicContact CG2-CG2 3.49Å; V109-V114 VanDerWaalsContact CG2-CG2 3.49Å; V114-I116 HydrophobicContact CG2-CD1 4.12Å; V114-I116 HydrophobicContact CG2-CG1 3.91Å; V114-E156 CarbonylContact O-C 3.57Å; V114-E156 VanDerWaalsContact O-CA 3.28Å; V114-E156 WeakPolarHBondContact O-CA 3.44Å; V114-F157 HydrophobicContact CG2-CB 3.95Å; V114-F157 PolarHBondContact N-O 3.35Å; V114-F157 PolarHBondContact O-N 2.93Å; V114-I176 HydrophobicContact CB-CG2 3.96Å; V114-I176 HydrophobicContact CG1-CG2 3.98Å; V114-D177 CarbonylContact C-O 3.46Å; V114-D177 WeakPolarHBondContact CA-O 3.49Å; V114-T183 HydrophobicContact CG1-CG2 3.54Å; V114-F185 HydrophobicContact CG1-CD1 4.31Å
115R98.5Very high91.1Very high98 Ų9839.9 Ų39.937%0.3720%0.196SC..EExtended strand (participates in β ladder)trans-104.9125.2162.6175.3173.856.7-140.3-4.8108V154 G155 E156 D177 V179R115-V154 HydrophobicContact CG-CG1 4.24Å; R115-G155 CarbonylContact C-O 3.36Å; R115-G155 WeakPolarHBondContact CA-O 3.13Å; R115-E156 HydrophobicContact CB-CG 4.28Å; R115-D177 HydrophobicContact CB-CB 4.38Å; R115-D177 IonicContact CZ-OD2 3.18Å; R115-D177 PolarHBondContact N-O 2.83Å; R115-D177 IonicContact NE-OD2 3.78Å; R115-D177 PolarHBondContact NE-OD2 2.9Å; R115-D177 IonicContact NH2-OD2 3.2Å; R115-D177 PolarHBondContact NH2-OD2 2.78Å; R115-D177 PolarHBondContact O-N 3.42Å; R115-V179 HydrophobicContact CB-CG2 3.62Å
116I98.3Very high88.7Confident1 Ų146.9 Ų46.91%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-110122.3177.5-48.2-179.4000107.8L107 V114 C118 V154 G155 F157 C164 H174 Q175 I176L107-I116 HydrophobicContact CD1-CD1 4.13Å; L107-I116 HydrophobicContact CD2-CD1 3.91Å; V114-I116 HydrophobicContact CG2-CD1 4.12Å; V114-I116 HydrophobicContact CG2-CG1 3.91Å; I116-C118 VanDerWaalsContact CG2-SG 3.59Å; I116-V154 WeakPolarHBondContact O-CA 3.45Å; I116-G155 PolarHBondContact N-O 3.14Å; I116-G155 PolarHBondContact O-N 3.41Å; I116-F157 HydrophobicContact CB-CD2 4.32Å; I116-F157 HydrophobicContact CB-CE2 4.09Å; I116-F157 HydrophobicContact CD1-CD2 3.72Å; I116-F157 HydrophobicContact CD1-CE2 3.93Å; I116-F157 HydrophobicContact CD1-CG 4.35Å; I116-F157 HydrophobicContact CG1-CD2 3.84Å; I116-F157 HydrophobicContact CG1-CE2 4.08Å; I116-C164 HydrophobicContact CD1-CB 3.86Å; I116-H174 HydrophobicContact CG2-CB 4.02Å; I116-Q175 WeakPolarHBondContact CA-O 3.09Å; I116-I176 HydrophobicContact CG1-CG1 4.41Å; I116-I176 HydrophobicContact CG2-CG1 4.32Å
117T97.8Very high86.4Confident26 Ų2651.1 Ų51.116%0.1627%0.269CS..EExtended strand (participates in β ladder)trans-110.1110.6174.5-55.60000107.7F119 L151 V154 H174 Q175T117-F119 HydrophobicContact CG2-CD2 4.5Å; T117-F119 HydrophobicContact CG2-CE2 3.57Å; T117-F119 HydrophobicContact CG2-CZ 3.68Å; T117-L151 HydrophobicContact CG2-CD1 3.84Å; T117-V154 HydrophobicContact CG2-CG2 4Å; T117-H174 CarbonylContact O-C 3.52Å; T117-H174 WeakPolarHBondContact O-CA 3.49Å; T117-H174 WeakPolarHBondContact O-CB 3.32Å; T117-Q175 PolarHBondContact N-O 3.34Å; T117-Q175 PolarHBondContact O-N 3.13Å
118C96.6Very high84.3Confident0 Ų053.5 Ų53.50%028%0.283CS..EExtended strand (participates in β ladder)trans-103.4144.1-175.7-57.50000111.7I116 G152 S153 N171 L173I116-C118 VanDerWaalsContact CG2-SG 3.59Å; C118-G152 PolarHBondContact O-N 2.9Å; C118-S153 PolarHBondContact N-O 2.8Å; C118-S153 PolarHBondContact O-N 3Å; C118-N171 HydrophobicContact CB-CB 3.86Å; C118-N171 WeakPolarHBondContact CB-OD1 3.42Å; C118-L173 CarbonylContact C-O 3.58Å; C118-L173 VanDerWaalsContact CA-O 3.31Å; C118-L173 WeakPolarHBondContact CA-O 3.39Å
119F94.9Very high82.1Confident11 Ų1154.9 Ų54.95%0.04830%0.295CS..EExtended strand (participates in β ladder)trans-129.8154.8174.8-55.9-98.3000109.5L97 T117 I150 L151 L173 V206 I224 L226L97-F119 HydrophobicContact CD1-CD2 3.56Å; L97-F119 HydrophobicContact CD1-CE2 3.81Å; L97-F119 HydrophobicContact CD2-CD2 4.2Å; L97-F119 HydrophobicContact CD2-CE2 4.06Å; T117-F119 HydrophobicContact CG2-CD2 4.5Å; T117-F119 HydrophobicContact CG2-CE2 3.57Å; T117-F119 HydrophobicContact CG2-CZ 3.68Å; F119-I150 WeakPolarHBondContact CA-O 3.46Å; F119-I150 WeakPolarHBondContact CB-O 3.48Å; F119-L151 HydrophobicContact CD1-CD1 4.14Å; F119-L151 HydrophobicContact CE1-CD1 3.75Å; F119-L151 HydrophobicContact CZ-CD1 4.03Å; F119-L173 HydrophobicContact CB-CB 3.94Å; F119-L173 PolarHBondContact N-O 3.1Å; F119-L173 WeakPolarHBondContact O-CB 3.21Å; F119-L173 PolarHBondContact O-N 2.99Å; F119-V206 HydrophobicContact CE1-CG2 4.17Å; F119-V206 HydrophobicContact CZ-CG2 3.79Å; F119-I224 HydrophobicContact CD1-CD1 4.3Å; F119-I224 HydrophobicContact CE1-CD1 3.87Å; F119-I224 HydrophobicContact CE1-CG2 4.39Å; F119-L226 HydrophobicContact CB-CD1 4.2Å; F119-L226 HydrophobicContact CD1-CD2 4.42Å; F119-L226 HydrophobicContact CG-CD1 4.39Å
120D91.6Very high80.1Confident23 Ų2358.9 Ų58.912%0.12332%0.323CS..EExtended strand (participates in β ladder)trans-125142.5174.5-66.8-41.9000110.1S149 I150 R170 N171D120-S149 CarbonylContact O-C 3.6Å; D120-S149 WeakPolarHBondContact O-CA 3.46Å; D120-S149 WeakPolarHBondContact O-CB 3.17Å; D120-S149 PolarHBondContact O-OG 3.26Å; D120-I150 HydrophobicContact CB-CD1 4.31Å; D120-I150 HydrophobicContact CB-CG1 3.97Å; D120-I150 PolarHBondContact N-O 3.08Å; D120-I150 PolarHBondContact O-N 3.45Å; D120-R170 VanDerWaalsContact OD1-C 3.27Å; D120-R170 WeakPolarHBondContact OD1-CA 3.34Å; D120-N171 PolarHBondContact OD1-N 3.24Å
121R90.4Very high78.4Confident115 Ų11565.2 Ų65.243%0.43436%0.357SS..EExtended strand (participates in β ladder)trans-72.8137.1175.1-60.8-175.1179.3-159.93.5109.3D99 L173 Y204D99-R121 IonicContact OD2-CZ 2.76Å; D99-R121 IonicContact OD2-NH2 3.66Å; D99-R121 PolarHBondContact OD2-NH2 2.65Å; R121-L173 HydrophobicContact CG-CD1 3.44Å; R121-L173 VanDerWaalsContact CG-CD1 3.44Å; R121-Y204 PolarHBondContact NH2-OH 3.38Å
122L87.4Confident77.2Confident56 Ų5666.2 Ų66.229%0.29336%0.364SS..PPolyproline II helixtrans-91118.2168.2-70.5178.1000108.9R148 I150 E223L122-R148 HydrophobicContact CB-CG 4.22Å; L122-R148 HydrophobicContact CD1-CG 4.13Å; L122-R148 PolarHBondContact N-O 3.33Å; L122-I150 HydrophobicContact CD1-CG2 3.73Å; L122-I150 HydrophobicContact CD2-CD1 4.48Å; L122-I150 HydrophobicContact CD2-CG1 4.37Å; L122-I150 HydrophobicContact CD2-CG2 3.88Å; L122-I150 HydrophobicContact CG-CG2 3.9Å; L122-E223 HydrophobicContact CD1-CG 4.32Å
123D72.5Confident76.5Confident142 Ų14271.9 Ų71.976%0.75938%0.383SS*.PPolyproline II helixtrans-69.8136.7-177.6-99.6-28.7000114S125D123-S125 PolarHBondContact O-N 2.91Å
124K55.7Low75.9Confident196 Ų19669.8 Ų69.885%0.85237%0.374SS*.  trans27.476.6158.4-59.9178.6-174.8171.60119.5
125S48.9Very low75Confident59 Ų5973.3 Ų73.341%0.41340%0.399SS..  trans-131.9105.4132.173.20000109.4D123 S127D123-S125 PolarHBondContact O-N 2.91Å; S125-S127 PolarHBondContact O-N 2.82Å
126T47.2Very low74.3Confident150 Ų15073.7 Ų73.792%0.9241%0.414SS*.THydrogen-bonded Turntrans-72.512.3-174.225.50000114.1
127S50.3Low73.7Confident90 Ų9078.6 Ų78.663%0.62945%0.446SS*.THydrogen-bonded Turntrans-104.21.2-169.965.60000115.5S125S125-S127 PolarHBondContact O-N 2.82Å
128V52.9Low73.2Confident54 Ų5478.4 Ų78.433%0.32744%0.444SS..SBendtrans-107.2-13-171.7-150.60000114.1S130 T132V128-S130 PolarHBondContact O-N 2.82Å; V128-T132 PolarHBondContact O-OG1 2.92Å
129A53.8Low72.8Confident30 Ų3082.7 Ų82.725%0.24847%0.466CS..THydrogen-bonded Turntrans-71.1-15.9179.500000113.6D131 W225A129-D131 VanDerWaalsContact C-N 3.34Å; A129-W225 HydrophobicContact CB-CH2 3.7Å; A129-W225 HydrophobicContact CB-CZ2 4.4Å; A129-W225 HydrophobicContact CB-CZ3 4.15Å
130S55.8Low72.4Confident87 Ų8787.5 Ų87.561%0.60850%0.499SS*.THydrogen-bonded Turntrans-69.6-32.2-18057.50000112.8V128V128-S130 PolarHBondContact O-N 2.82Å
131D63.8Low72.1Confident139 Ų13994 Ų9474%0.74353%0.526SS*.THydrogen-bonded Turntrans-103.3-9.6-167.9-63.63.7000112.6A129 Q133A129-D131 VanDerWaalsContact C-N 3.34Å; D131-Q133 PolarHBondContact O-N 3.39Å
132T73.1Confident71.9Confident31 Ų3190.3 Ų90.319%0.1951%0.514CS..  trans-79.1119.1177.9-54.30000110.4V128 F134V128-T132 PolarHBondContact O-OG1 2.92Å; T132-F134 HydrophobicContact CG2-CD1 4.44Å; T132-F134 HydrophobicContact CG2-CE1 3.81Å; T132-F134 HydrophobicContact CG2-CE2 3.99Å; T132-F134 HydrophobicContact CG2-CZ 3.57Å; T132-F134 WeakPolarHBondContact O-CE2 3.35Å
133Q81.1Confident71.8Confident147 Ų14793.1 Ų93.169%0.68752%0.521SS*.  trans-89.3130.4173.2-167.41737.800110.5D131 A210D131-Q133 PolarHBondContact O-N 3.39Å; Q133-A210 HydrophobicContact CB-CB 4.3Å; Q133-A210 HydrophobicContact CG-CB 4.32Å; Q133-A210 WeakPolarHBondContact O-CB 3.49Å; Q133-A210 PolarHBondContact O-N 3.32Å
134F84.4Confident72.5Confident10 Ų1089.4 Ų89.44%0.04452%0.515CS..BIsolated β-bridgetrans-108.5151.4178.9-61.7-78.2000111T132 P136 P137 L138 L146 L207 W225T132-F134 HydrophobicContact CG2-CD1 4.44Å; T132-F134 HydrophobicContact CG2-CE1 3.81Å; T132-F134 HydrophobicContact CG2-CE2 3.99Å; T132-F134 HydrophobicContact CG2-CZ 3.57Å; T132-F134 WeakPolarHBondContact O-CE2 3.35Å; F134-P136 CarbonylContact C-O 3.58Å; F134-P136 CarbonylContact O-C 3.26Å; F134-P136 VanDerWaalsContact O-C 3.26Å; F134-P137 WeakPolarHBondContact O-CA 3.4Å; F134-L138 HydrophobicContact CB-CD1 4.47Å; F134-L138 HydrophobicContact CB-CG 3.99Å; F134-L138 HydrophobicContact CD2-CD1 3.29Å; F134-L138 HydrophobicContact CD2-CG 3.67Å; F134-L138 HydrophobicContact CE2-CD1 3.56Å; F134-L138 HydrophobicContact CE2-CG 4.43Å; F134-L138 HydrophobicContact CG-CD1 3.89Å; F134-L138 HydrophobicContact CG-CG 3.96Å; F134-L138 HydrophobicContact CZ-CD1 4.35Å; F134-L146 HydrophobicContact CE2-CD1 4.06Å; F134-L146 HydrophobicContact CZ-CD1 4.28Å; F134-L207 HydrophobicContact CD1-CB 3.91Å; F134-L207 HydrophobicContact CD1-CD1 3.91Å; F134-L207 HydrophobicContact CE1-CB 4.06Å; F134-L207 HydrophobicContact CE1-CD1 3.9Å; F134-L207 HydrophobicContact CG-CD1 4.37Å; F134-L207 HydrophobicContact CZ-CD1 4.36Å; F134-W225 HydrophobicContact CE1-CB 3.63Å; F134-W225 AromaticContact CE1-CD1 3.65Å; F134-W225 HydrophobicContact CE1-CD2 4.46Å; F134-W225 AromaticContact CE1-CG 3.62Å; F134-W225 HydrophobicContact CE1-CG 3.62Å; F134-W225 HydrophobicContact CZ-CB 3.94Å; F134-W225 AromaticContact CZ-CD1 3.73Å; F134-W225 AromaticContact CZ-CD2 3.95Å; F134-W225 HydrophobicContact CZ-CD2 3.95Å; F134-W225 AromaticContact CZ-CG 3.58Å; F134-W225 HydrophobicContact CZ-CG 3.58Å
135S80.6Confident74.2Confident75 Ų7581.1 Ų81.152%0.52448%0.484SS..SBendtrans-122.3116.8171.8-170.10000110Q208S135-Q208 PolarHBondContact N-O 3.44Å
136P83.4Confident76.2Confident106 Ų10679.1 Ų79.169%0.68847%0.468SS*.SBendcis-66.5160.7-5.230.3-36.1000112.7F134F134-P136 CarbonylContact C-O 3.58Å; F134-P136 CarbonylContact O-C 3.26Å; F134-P136 VanDerWaalsContact O-C 3.26Å
137P86.1Confident78.2Confident104 Ų10475.1 Ų75.168%0.67544%0.436SS*.PPolyproline II helixtrans-58.4138.3176.6-24.234.1000112.4F134F134-P137 WeakPolarHBondContact O-CA 3.4Å
138L86.9Confident80.1Confident22 Ų2274 Ų7412%0.11542%0.419CS..PPolyproline II helixtrans-76.2142.7177.9-62.6-180000112F134 Q142 L146 L207 M227F134-L138 HydrophobicContact CB-CD1 4.47Å; F134-L138 HydrophobicContact CB-CG 3.99Å; F134-L138 HydrophobicContact CD2-CD1 3.29Å; F134-L138 HydrophobicContact CD2-CG 3.67Å; F134-L138 HydrophobicContact CE2-CD1 3.56Å; F134-L138 HydrophobicContact CE2-CG 4.43Å; F134-L138 HydrophobicContact CG-CD1 3.89Å; F134-L138 HydrophobicContact CG-CG 3.96Å; F134-L138 HydrophobicContact CZ-CD1 4.35Å; L138-Q142 HydrophobicContact CB-CB 4.44Å; L138-L146 HydrophobicContact CD1-CD1 3.81Å; L138-L146 HydrophobicContact CD1-CD2 3.79Å; L138-L146 HydrophobicContact CD1-CG 4.21Å; L138-L207 HydrophobicContact CD1-CD1 3.92Å; L138-L207 HydrophobicContact CD2-CD1 3.98Å; L138-L207 HydrophobicContact CD2-CD2 4.47Å; L138-L207 HydrophobicContact CG-CD1 4.46Å; L138-M227 HydrophobicContact CD2-SD 4.14Å
139L88.6Confident82Confident89 Ų8971.5 Ų71.547%0.46640%0.403SS..PPolyproline II helixtrans-72.6151.5170.3-60.6173000110.3F141 Q142L139-F141 VanDerWaalsContact C-N 3.29Å; L139-F141 HydrophobicContact CB-CD1 3.85Å; L139-F141 HydrophobicContact CB-CE1 3.53Å; L139-F141 HydrophobicContact CB-CZ 4.1Å; L139-F141 HydrophobicContact CD1-CE1 3.43Å; L139-F141 VanDerWaalsContact CD1-CE1 3.43Å; L139-F141 HydrophobicContact CD1-CZ 3.65Å; L139-F141 HydrophobicContact CG-CE1 4.1Å; L139-F141 PolarHBondContact O-N 3.1Å; L139-Q142 HydrophobicContact CB-CG 4.16Å; L139-Q142 WeakPolarHBondContact O-CB 3.42Å; L139-Q142 PolarHBondContact O-N 2.6Å
140P85.3Confident83.8Confident113 Ų11371.1 Ų71.173%0.73440%0.397SS*.G310 helixtrans-53.5-41.2-175.8-2935.6000114.5Q142 R143P140-Q142 VanDerWaalsContact C-N 3.25Å; P140-Q142 PolarHBondContact O-N 2.78Å; P140-R143 PolarHBondContact O-N 3.28Å
141F84.8Confident85.5Confident158 Ų15870.5 Ų70.569%0.69339%0.386SS*.G310 helixtrans-68.8-21.2-179.969-96.5000113.6L139 R143L139-F141 VanDerWaalsContact C-N 3.29Å; L139-F141 HydrophobicContact CB-CD1 3.85Å; L139-F141 HydrophobicContact CB-CE1 3.53Å; L139-F141 HydrophobicContact CB-CZ 4.1Å; L139-F141 HydrophobicContact CD1-CE1 3.43Å; L139-F141 VanDerWaalsContact CD1-CE1 3.43Å; L139-F141 HydrophobicContact CD1-CZ 3.65Å; L139-F141 HydrophobicContact CG-CE1 4.1Å; L139-F141 PolarHBondContact O-N 3.1Å; F141-R143 VanDerWaalsContact C-N 3.3Å; F141-R143 PolarHBondContact O-N 2.82Å
142Q88.3Confident86.7Confident39 Ų3965.4 Ų65.418%0.18237%0.367CS..G310 helixtrans-77-18.2-178.8-65.7176.6-42.200112.5L138 L139 P140 G144 A145 M227L138-Q142 HydrophobicContact CB-CB 4.44Å; L139-Q142 HydrophobicContact CB-CG 4.16Å; L139-Q142 WeakPolarHBondContact O-CB 3.42Å; L139-Q142 PolarHBondContact O-N 2.6Å; P140-Q142 VanDerWaalsContact C-N 3.25Å; P140-Q142 PolarHBondContact O-N 2.78Å; Q142-G144 VanDerWaalsContact C-N 3.29Å; Q142-G144 PolarHBondContact O-N 2.71Å; Q142-A145 WeakPolarHBondContact O-CB 3.36Å; Q142-A145 PolarHBondContact O-N 3Å; Q142-A145 VanDerWaalsContact O-N 3.11Å; Q142-M227 HydrophobicContact CB-SD 4.01Å; Q142-M227 HydrophobicContact CG-SD 4.28Å
143R84.4Confident87.6Confident115 Ų11566.2 Ų66.243%0.43437%0.373SS..G310 helixtrans-65.6-31.1-177-65.4-172.7-177.2-91.20.7113.1P140 F141 A145 L146P140-R143 PolarHBondContact O-N 3.28Å; F141-R143 VanDerWaalsContact C-N 3.3Å; F141-R143 PolarHBondContact O-N 2.82Å; R143-A145 VanDerWaalsContact C-N 3.25Å; R143-A145 PolarHBondContact O-N 2.92Å; R143-L146 WeakPolarHBondContact O-CB 3.32Å; R143-L146 PolarHBondContact O-N 2.73Å
144G86.8Confident88.3Confident63 Ų6363 Ų6365%0.64936%0.364SS*.G310 helixtrans-70.1-20.8175.400000114Q142 L146 R147Q142-G144 VanDerWaalsContact C-N 3.29Å; Q142-G144 PolarHBondContact O-N 2.71Å; G144-L146 VanDerWaalsContact C-N 3.31Å; G144-R147 PolarHBondContact O-NH1 2.82Å
145A91Very high88.8Confident23 Ų2363.5 Ų63.519%0.1937%0.372CS..G310 helixtrans-85.8-1.6177.700000113Q142 R143 M227 E228Q142-A145 WeakPolarHBondContact O-CB 3.36Å; Q142-A145 PolarHBondContact O-N 3Å; Q142-A145 VanDerWaalsContact O-N 3.11Å; R143-A145 VanDerWaalsContact C-N 3.25Å; R143-A145 PolarHBondContact O-N 2.92Å; A145-M227 HydrophobicContact CB-CG 4.07Å; A145-E228 HydrophobicContact CB-CB 4.06Å; A145-E228 PolarHBondContact O-N 3.41Å
146L91.1Very high89.6Confident16 Ų1664.7 Ų64.78%0.08437%0.369CS..EExtended strand (participates in β ladder)trans-74.9137.1-179.3-66179.2000111.6F134 L138 R143 G144 L207 W225 L226 M227F134-L146 HydrophobicContact CE2-CD1 4.06Å; F134-L146 HydrophobicContact CZ-CD1 4.28Å; L138-L146 HydrophobicContact CD1-CD1 3.81Å; L138-L146 HydrophobicContact CD1-CD2 3.79Å; L138-L146 HydrophobicContact CD1-CG 4.21Å; R143-L146 WeakPolarHBondContact O-CB 3.32Å; R143-L146 PolarHBondContact O-N 2.73Å; G144-L146 VanDerWaalsContact C-N 3.31Å; L146-L207 HydrophobicContact CD2-CD1 3.43Å; L146-L207 VanDerWaalsContact CD2-CD1 3.43Å; L146-W225 HydrophobicContact CB-CE3 3.94Å; L146-W225 HydrophobicContact CB-CZ3 4.04Å; L146-W225 HydrophobicContact CD1-CE3 4.39Å; L146-L226 CarbonylContact C-O 3.55Å; L146-L226 WeakPolarHBondContact CA-O 3.4Å; L146-M227 HydrophobicContact CD2-CB 4.19Å; L146-M227 HydrophobicContact CD2-CG 4.23Å
147R90.4Very high90.3Very high67 Ų6761.7 Ų61.725%0.25335%0.345SS..EExtended strand (participates in β ladder)trans-125123.9170.9-52.7-63.8173.1-107.40.9107.8G144 Y204 L226 E228G144-R147 PolarHBondContact O-NH1 2.82Å; R147-Y204 HydrophobicContact CG-CD1 4.28Å; R147-Y204 HydrophobicContact CG-CE1 3.71Å; R147-L226 HydrophobicContact CB-CB 4.3Å; R147-L226 PolarHBondContact N-O 2.83Å; R147-L226 PolarHBondContact O-N 2.69Å; R147-E228 IonicContact CZ-OE2 3.41Å; R147-E228 IonicContact NE-OE2 3.19Å; R147-E228 IonicContact NH2-OE2 2.7Å; R147-E228 PolarHBondContact NH2-OE2 2.64Å
148R90.3Very high90.9Very high67 Ų6758.9 Ų58.925%0.25333%0.326SS..EExtended strand (participates in β ladder)trans-80129.7175-168.9-176.5174.2-133.7-9.5108.3L122 E223 W225L122-R148 HydrophobicContact CB-CG 4.22Å; L122-R148 HydrophobicContact CD1-CG 4.13Å; L122-R148 PolarHBondContact N-O 3.33Å; R148-E223 VanDerWaalsContact CD-OE1 3.31Å; R148-E223 WeakPolarHBondContact CD-OE1 3.21Å; R148-E223 HydrophobicContact CG-CG 4.11Å; R148-E223 VanDerWaalsContact CG-OE1 3.22Å; R148-E223 WeakPolarHBondContact CG-OE1 3.02Å; R148-E223 IonicContact CZ-OE1 3.54Å; R148-E223 IonicContact CZ-OE2 3.26Å; R148-E223 IonicContact NE-OE1 3.74Å; R148-E223 PolarHBondContact NE-OE1 2.63Å; R148-E223 IonicContact NE-OE2 3.86Å; R148-E223 PolarHBondContact NE-OE2 2.83Å; R148-E223 IonicContact NH2-OE1 3.88Å; R148-E223 IonicContact NH2-OE2 3.56Å; R148-E223 PolarHBondContact NH2-OE2 2.64Å; R148-W225 HydrophobicContact CB-CE3 4.22Å; R148-W225 HydrophobicContact CB-CH2 3.92Å; R148-W225 HydrophobicContact CB-CZ3 3.77Å; R148-W225 HydrophobicContact CG-CH2 4.08Å; R148-W225 HydrophobicContact CG-CZ2 4.21Å; R148-W225 HydrophobicContact CG-CZ3 4.34Å
149S91.9Very high91.4Very high0 Ų061 Ų610%034%0.335CS..EExtended strand (participates in β ladder)trans-147.3171-170.1-66.80000112.4D120 I224 L226D120-S149 CarbonylContact O-C 3.6Å; D120-S149 WeakPolarHBondContact O-CA 3.46Å; D120-S149 WeakPolarHBondContact O-CB 3.17Å; D120-S149 PolarHBondContact O-OG 3.26Å; S149-I224 CarbonylContact C-O 3.53Å; S149-I224 WeakPolarHBondContact CA-O 3.18Å; S149-I224 PolarHBondContact N-O 3.22Å; S149-I224 PolarHBondContact O-N 2.77Å; S149-L226 WeakPolarHBondContact OG-CD1 3.36Å
150I91.8Very high91.9Very high23 Ų2363.3 Ų63.312%0.11834%0.344CS..EExtended strand (participates in β ladder)trans-124.2153.3168.151.3167.6000109.7F119 D120 L122 G152 Q221F119-I150 WeakPolarHBondContact CA-O 3.46Å; F119-I150 WeakPolarHBondContact CB-O 3.48Å; D120-I150 HydrophobicContact CB-CD1 4.31Å; D120-I150 HydrophobicContact CB-CG1 3.97Å; D120-I150 PolarHBondContact N-O 3.08Å; D120-I150 PolarHBondContact O-N 3.45Å; L122-I150 HydrophobicContact CD1-CG2 3.73Å; L122-I150 HydrophobicContact CD2-CD1 4.48Å; L122-I150 HydrophobicContact CD2-CG1 4.37Å; L122-I150 HydrophobicContact CD2-CG2 3.88Å; L122-I150 HydrophobicContact CG-CG2 3.9Å; I150-G152 PolarHBondContact O-N 2.87Å; I150-Q221 HydrophobicContact CG2-CB 4.36Å
151L91.9Very high92.5Very high74 Ų7459.6 Ų59.639%0.38732%0.32SS..EExtended strand (participates in β ladder)trans-71.5116.3164-177.166.6000108.3T117 F119 V154 I224T117-L151 HydrophobicContact CG2-CD1 3.84Å; F119-L151 HydrophobicContact CD1-CD1 4.14Å; F119-L151 HydrophobicContact CE1-CD1 3.75Å; F119-L151 HydrophobicContact CZ-CD1 4.03Å; L151-V154 HydrophobicContact CD1-CG2 3.91Å; L151-V154 HydrophobicContact CD2-CG2 4.18Å; L151-V154 HydrophobicContact CG-CG2 4.35Å; L151-I224 HydrophobicContact CB-CD1 3.81Å
152G88.8Confident93.1Very high32 Ų3253.7 Ų53.733%0.3331%0.305SS..EExtended strand (participates in β ladder)trans-82-68.718000000111.2C118 I150C118-G152 PolarHBondContact O-N 2.9Å; I150-G152 PolarHBondContact O-N 2.87Å
153S91.1Very high93.6Very high47 Ų4752.4 Ų52.433%0.32930%0.299SS..EExtended strand (participates in β ladder)trans-146.5153.6-178.474.60000112C118 N171C118-S153 PolarHBondContact N-O 2.8Å; C118-S153 PolarHBondContact O-N 3Å; S153-N171 PolarHBondContact OG-OD1 2.79Å
154V95.6Very high94.2Very high80 Ų8047.5 Ų47.549%0.48528%0.282SS..EExtended strand (participates in β ladder)trans-131.4124.3169.1-172.20000107.5R115 I116 T117 L151R115-V154 HydrophobicContact CG-CG1 4.24Å; I116-V154 WeakPolarHBondContact O-CA 3.45Å; T117-V154 HydrophobicContact CG2-CG2 4Å; L151-V154 HydrophobicContact CD1-CG2 3.91Å; L151-V154 HydrophobicContact CD2-CG2 4.18Å; L151-V154 HydrophobicContact CG-CG2 4.35Å
155G95.9Very high94.7Very high21 Ų2146.3 Ų46.322%0.21626%0.261CS..EExtended strand (participates in β ladder)trans-147.6147.5-177.900000112.7R115 I116 F157R115-G155 CarbonylContact C-O 3.36Å; R115-G155 WeakPolarHBondContact CA-O 3.13Å; I116-G155 PolarHBondContact N-O 3.14Å; I116-G155 PolarHBondContact O-N 3.41Å; G155-F157 WeakPolarHBondContact O-CD2 3.12Å
156E98.1Very high94.9Very high100 Ų10045.5 Ų45.547%0.46725%0.253SS..EExtended strand (participates in β ladder)trans-96.3132.3167.1-64.2-167.8173.800109.5K113 V114 R115K113-E156 HydrophobicContact CD-CB 4.3Å; K113-E156 WeakPolarHBondContact CD-OE2 3.18Å; K113-E156 WeakPolarHBondContact CE-OE2 3.46Å; K113-E156 HydrophobicContact CG-CB 4.38Å; K113-E156 IonicContact NZ-OE2 2.85Å; K113-E156 PolarHBondContact NZ-OE2 3.26Å; V114-E156 CarbonylContact O-C 3.57Å; V114-E156 VanDerWaalsContact O-CA 3.28Å; V114-E156 WeakPolarHBondContact O-CA 3.44Å; R115-E156 HydrophobicContact CB-CG 4.28Å
157F98.3Very high95.1Very high43 Ų4346 Ų4619%0.18926%0.257CS..EExtended strand (participates in β ladder)trans-123.2139-177.9-62.3-100.1000109.8V109 K113 V114 I116 G155 C164V109-F157 HydrophobicContact CG2-CB 3.75Å; K113-F157 WeakPolarHBondContact CA-O 3.19Å; V114-F157 HydrophobicContact CG2-CB 3.95Å; V114-F157 PolarHBondContact N-O 3.35Å; V114-F157 PolarHBondContact O-N 2.93Å; I116-F157 HydrophobicContact CB-CD2 4.32Å; I116-F157 HydrophobicContact CB-CE2 4.09Å; I116-F157 HydrophobicContact CD1-CD2 3.72Å; I116-F157 HydrophobicContact CD1-CE2 3.93Å; I116-F157 HydrophobicContact CD1-CG 4.35Å; I116-F157 HydrophobicContact CG1-CD2 3.84Å; I116-F157 HydrophobicContact CG1-CE2 4.08Å; G155-F157 WeakPolarHBondContact O-CD2 3.12Å; F157-C164 HydrophobicContact CD1-CB 4.49Å; F157-C164 HydrophobicContact CE1-CB 4.01Å; F157-C164 HydrophobicContact CZ-CB 4.05Å
158T98.3Very high95.3Very high44 Ų4445.2 Ų45.227%0.2726%0.261SS..EExtended strand (participates in β ladder)trans-125.5178.8176.267.80000110.5K113 E160 S161K113-T158 HydrophobicContact CB-CG2 4.23Å; K113-T158 HydrophobicContact CD-CG2 4.04Å; K113-T158 HydrophobicContact CG-CG2 3.91Å; T158-E160 PolarHBondContact O-N 3.41Å; T158-E160 VanDerWaalsContact O-N 3.1Å; T158-E160 PolarHBondContact OG1-N 3.25Å; T158-S161 PolarHBondContact N-OG 3.33Å; T158-S161 WeakPolarHBondContact O-CB 3.44Å; T158-S161 PolarHBondContact O-N 2.95Å
159E97.5Very high95.4Very high66 Ų6647.2 Ų47.231%0.30828%0.276SS..THydrogen-bonded Turntrans-58.2-19.2173.564.8-89-157.100114.4K108 V109 G112K108-E159 VanDerWaalsContact NZ-C 3.25Å; K108-E159 PolarHBondContact NZ-O 3.02Å; V109-E159 WeakPolarHBondContact O-CA 3.36Å; G112-E159 PolarHBondContact N-OE2 2.74Å
160E98.1Very high95.5Very high138 Ų13855 Ų5565%0.64531%0.306SS*.THydrogen-bonded Turntrans-90.1-15176-57.9-52.7152.500113.2R47 T158R47-E160 IonicContact NH2-OE2 2.64Å; T158-E160 PolarHBondContact O-N 3.41Å; T158-E160 VanDerWaalsContact O-N 3.1Å; T158-E160 PolarHBondContact OG1-N 3.25Å
161S98.2Very high95.6Very high35 Ų3555.5 Ų55.525%0.24531%0.308CS..SBendtrans-72.5146.1174.6-50.70000111.1K108 T158K108-S161 WeakPolarHBondContact CD-O 3.37Å; K108-S161 WeakPolarHBondContact CE-O 3.43Å; K108-S161 PolarHBondContact NZ-O 3.46Å; T158-S161 PolarHBondContact N-OG 3.33Å; T158-S161 WeakPolarHBondContact O-CB 3.44Å; T158-S161 PolarHBondContact O-N 2.95Å
162G98.1Very high95.6Very high35 Ų3552.5 Ų52.536%0.36129%0.293SS..PPolyproline II helixtrans-62.9168.8163.100000111.7
163P98.2Very high96Very high11 Ų1151 Ų517%0.07128%0.277CS..PPolyproline II helixtrans-67144.2-179.929.8-36.5000111.6Q40 M43 T44 L107 K108 I165Q40-P163 HydrophobicContact CG-CG 3.71Å; M43-P163 HydrophobicContact CB-CB 4.27Å; M43-P163 HydrophobicContact CB-CG 4.01Å; T44-P163 VanDerWaalsContact OG1-CD 3.23Å; T44-P163 WeakPolarHBondContact OG1-CD 3.36Å; L107-P163 CarbonylContact O-C 3.52Å; L107-P163 WeakPolarHBondContact O-CA 3.27Å; L107-P163 WeakPolarHBondContact O-CB 3.41Å; K108-P163 HydrophobicContact CB-CB 4.33Å; P163-I165 HydrophobicContact CB-CD1 4.24Å; P163-I165 HydrophobicContact CG-CD1 4Å
164C97.4Very high96.3Very high12 Ų1249 Ų498%0.08126%0.263CS..EExtended strand (participates in β ladder)trans-74.5128.9164.5-1740000108.5M106 L107 I116 F157M106-C164 WeakPolarHBondContact CA-O 3.07Å; L107-C164 HydrophobicContact CB-CB 4.38Å; L107-C164 PolarHBondContact N-O 2.84Å; L107-C164 PolarHBondContact O-N 3.26Å; I116-C164 HydrophobicContact CD1-CB 3.86Å; F157-C164 HydrophobicContact CD1-CB 4.49Å; F157-C164 HydrophobicContact CE1-CB 4.01Å; F157-C164 HydrophobicContact CZ-CB 4.05Å
165I97Very high96.4Very high39 Ų3948.2 Ų48.220%0.225%0.254CS..EExtended strand (participates in β ladder)trans-106.9132.6-177.7-50.1-62.2000109.1Q40 M106 P163 N171Q40-I165 HydrophobicContact CG-CD1 4.34Å; M106-I165 HydrophobicContact CB-CD1 4.2Å; M106-I165 HydrophobicContact CE-CD1 4.05Å; M106-I165 HydrophobicContact CG-CD1 3.57Å; M106-I165 HydrophobicContact SD-CD1 3.81Å; P163-I165 HydrophobicContact CB-CD1 4.24Å; P163-I165 HydrophobicContact CG-CD1 4Å; I165-N171 PolarHBondContact O-ND2 3.15Å
166L94.6Very high96.6Very high5 Ų547.4 Ų47.43%0.02624%0.244CC..EExtended strand (participates in β ladder)trans-119.2146.5169.565.892.8000110.4H100 Y104 G105 R170 N171 L189H100-L166 HydrophobicContact CB-CD1 4.21Å; Y104-L166 VanDerWaalsContact C-CD1 3.49Å; Y104-L166 WeakPolarHBondContact CA-O 3.05Å; G105-L166 VanDerWaalsContact CA-CG 3.48Å; G105-L166 PolarHBondContact N-O 3.47Å; G105-L166 PolarHBondContact O-N 2.91Å; L166-R170 WeakPolarHBondContact CA-O 3.17Å; L166-N171 HydrophobicContact CB-CB 4.22Å; L166-L189 HydrophobicContact CD2-CD2 4.46Å
167T95.8Very high96.6Very high27 Ų2743.3 Ų43.317%0.16623%0.226CC..BIsolated β-bridgetrans-124.4169.7173.662.70000108.6M103 Y104 D169 R170 N172M103-T167 CarbonylContact O-C 3.51Å; M103-T167 VanDerWaalsContact O-C 3.3Å; Y104-T167 HydrophobicContact CD1-CG2 3.96Å; Y104-T167 HydrophobicContact CE1-CG2 3.91Å; T167-D169 WeakPolarHBondContact CB-OD1 3.46Å; T167-D169 PolarHBondContact O-N 2.76Å; T167-D169 VanDerWaalsContact O-N 3.08Å; T167-D169 PolarHBondContact OG1-OD1 3.31Å; T167-R170 PolarHBondContact N-O 2.9Å; T167-R170 PolarHBondContact O-N 3.06Å; T167-R170 VanDerWaalsContact O-O 3.08Å; T167-R170 WeakPolarHBondContact OG1-CB 3.33Å; T167-R170 PolarHBondContact OG1-N 3.09Å; T167-R170 VanDerWaalsContact OG1-N 3.1Å; T167-N172 PolarHBondContact O-ND2 2.66Å
168P94.9Very high96.5Very high50 Ų5041.8 Ų41.833%0.32522%0.221SC..THydrogen-bonded Turntrans-55.4-29.1177.1-30.738.2000113.9M103 Y104M103-P168 WeakPolarHBondContact O-CD 3.36Å; Y104-P168 HydrophobicContact CD2-CG 4.13Å; Y104-P168 HydrophobicContact CE2-CG 3.78Å
169D92.1Very high96.4Very high109 Ų10940.5 Ų40.558%0.58321%0.213SC*.THydrogen-bonded Turntrans-108.3-9.2-174.966.4-43.4000114.5T167T167-D169 WeakPolarHBondContact CB-OD1 3.46Å; T167-D169 PolarHBondContact O-N 2.76Å; T167-D169 VanDerWaalsContact O-N 3.08Å; T167-D169 PolarHBondContact OG1-OD1 3.31Å
170R93.4Very high95.9Very high165 Ų16544.2 Ų44.262%0.62324%0.235SC*.BIsolated β-bridgetrans-138.4137.2-177.5-59.3-166.3-173.9-145.81.7113.6D120 L166 T167 N172D120-R170 VanDerWaalsContact OD1-C 3.27Å; D120-R170 WeakPolarHBondContact OD1-CA 3.34Å; L166-R170 WeakPolarHBondContact CA-O 3.17Å; T167-R170 PolarHBondContact N-O 2.9Å; T167-R170 PolarHBondContact O-N 3.06Å; T167-R170 VanDerWaalsContact O-O 3.08Å; T167-R170 WeakPolarHBondContact OG1-CB 3.33Å; T167-R170 PolarHBondContact OG1-N 3.09Å; T167-R170 VanDerWaalsContact OG1-N 3.1Å; R170-N172 PolarHBondContact O-N 3.39Å; R170-N172 VanDerWaalsContact O-N 3.09Å
171N93.6Very high95.2Very high32 Ų3238.2 Ų38.217%0.17121%0.211CC..SBendtrans51.822.1-175.5-59.4-40.9000113.5C118 D120 S153 I165 L166 L173C118-N171 HydrophobicContact CB-CB 3.86Å; C118-N171 WeakPolarHBondContact CB-OD1 3.42Å; D120-N171 PolarHBondContact OD1-N 3.24Å; S153-N171 PolarHBondContact OG-OD1 2.79Å; I165-N171 PolarHBondContact O-ND2 3.15Å; L166-N171 HydrophobicContact CB-CB 4.22Å; N171-L173 VanDerWaalsContact C-N 3.33Å
172N93.1Very high95Very high12 Ų1238 Ų386%0.06421%0.208CC..  trans-72.2-32.1-171.7-168-94.8000111.9D99 H100 T167 R170D99-N172 WeakPolarHBondContact CA-O 3.41Å; H100-N172 PolarHBondContact CD2-O 2.97Å; H100-N172 PolarHBondContact N-O 2.91Å; H100-N172 PolarHBondContact N-OD1 3.47Å; H100-N172 VanDerWaalsContact N-OD1 3.12Å; H100-N172 PolarHBondContact O-ND2 3.21Å; H100-N172 PolarHBondContact O-OD1 3Å; T167-N172 PolarHBondContact O-ND2 2.66Å; R170-N172 PolarHBondContact O-N 3.39Å; R170-N172 VanDerWaalsContact O-N 3.09Å
173L96.8Very high95Very high0 Ų036.4 Ų36.40%019%0.191CC..EExtended strand (participates in β ladder)trans-94126.6168.8-68.8136.3000108.5L97 H98 D99 C118 F119 R121 N171 Y204 L226L97-L173 HydrophobicContact CD1-CB 4.24Å; H98-L173 CarbonylContact O-C 3.44Å; H98-L173 VanDerWaalsContact O-CA 3.22Å; H98-L173 WeakPolarHBondContact O-CA 3.22Å; D99-L173 HydrophobicContact CB-CD2 3.82Å; D99-L173 HydrophobicContact CB-CG 4.1Å; C118-L173 CarbonylContact C-O 3.58Å; C118-L173 VanDerWaalsContact CA-O 3.31Å; C118-L173 WeakPolarHBondContact CA-O 3.39Å; F119-L173 HydrophobicContact CB-CB 3.94Å; F119-L173 PolarHBondContact N-O 3.1Å; F119-L173 WeakPolarHBondContact O-CB 3.21Å; F119-L173 PolarHBondContact O-N 2.99Å; R121-L173 HydrophobicContact CG-CD1 3.44Å; R121-L173 VanDerWaalsContact CG-CD1 3.44Å; N171-L173 VanDerWaalsContact C-N 3.33Å; L173-Y204 HydrophobicContact CD2-CD2 3.49Å; L173-Y204 VanDerWaalsContact CD2-CD2 3.49Å; L173-Y204 HydrophobicContact CD2-CE2 3.45Å; L173-Y204 VanDerWaalsContact CD2-CE2 3.45Å; L173-Y204 HydrophobicContact CD2-CG 4.1Å; L173-L226 HydrophobicContact CD1-CD1 4.09Å; L173-L226 HydrophobicContact CD2-CD1 3.98Å; L173-L226 HydrophobicContact CG-CD1 4.48Å
174H97.8Very high95Very high4 Ų435.9 Ų35.92%0.01919%0.188CC..EExtended strand (participates in β ladder)trans-151.4156.7173.859.2-160000114.6L97 H98 H100 I116 T117L97-H174 VanDerWaalsContact CA-O 3.3Å; L97-H174 WeakPolarHBondContact CA-O 3.32Å; L97-H174 VanDerWaalsContact CD1-C 3.42Å; H98-H174 AromaticContact CE1-CD2 3.33Å; H98-H174 PolarHBondContact CE1-CD2 2.81Å; H98-H174 AromaticContact CE1-NE2 3.46Å; H98-H174 PolarHBondContact CE1-NE2 3.43Å; H98-H174 PolarHBondContact N-O 2.74Å; H98-H174 AromaticContact ND1-CD2 3.99Å; H98-H174 PolarHBondContact ND1-O 2.82Å; H98-H174 AromaticContact NE2-CD2 3.5Å; H98-H174 AromaticContact NE2-NE2 3.25Å; H98-H174 PolarHBondContact NE2-NE2 3.15Å; H98-H174 PolarHBondContact O-N 3.34Å; H100-H174 AromaticContact CD2-CE1 3.97Å; H100-H174 AromaticContact CD2-NE2 3.62Å; H100-H174 AromaticContact NE2-CD2 3.79Å; H100-H174 AromaticContact NE2-CE1 3.54Å; H100-H174 AromaticContact NE2-NE2 2.93Å; H100-H174 PolarHBondContact NE2-NE2 3.32Å; I116-H174 HydrophobicContact CG2-CB 4.02Å; T117-H174 CarbonylContact O-C 3.52Å; T117-H174 WeakPolarHBondContact O-CA 3.49Å; T117-H174 WeakPolarHBondContact O-CB 3.32Å
175Q98.3Very high95Very high65 Ų6535.3 Ų35.330%0.30418%0.184SC..EExtended strand (participates in β ladder)trans-113.8139.2166.1-177.3176.5-59.300108.6I95 L97 I116 T117 D177I95-Q175 WeakPolarHBondContact O-CG 3.39Å; L97-Q175 HydrophobicContact CB-CB 4.2Å; I116-Q175 WeakPolarHBondContact CA-O 3.09Å; T117-Q175 PolarHBondContact N-O 3.34Å; T117-Q175 PolarHBondContact O-N 3.13Å; Q175-D177 PolarHBondContact NE2-OD1 3.11Å
176I98.5Very high95.1Very high3 Ų333.5 Ų33.52%0.01518%0.175CC..EExtended strand (participates in β ladder)trans-120.8113.2-179.8-56.2163.5000108.4L89 S94 I95 L107 V114 I116 F185L89-I176 HydrophobicContact CD2-CG2 4.29Å; S94-I176 CarbonylContact C-O 3.48Å; S94-I176 VanDerWaalsContact CA-O 3.22Å; S94-I176 WeakPolarHBondContact CA-O 3.49Å; I95-I176 HydrophobicContact CB-CB 4.32Å; I95-I176 HydrophobicContact CD1-CD1 4.31Å; I95-I176 PolarHBondContact N-O 2.88Å; I95-I176 PolarHBondContact O-N 3.04Å; I95-I176 VanDerWaalsContact O-N 3.12Å; L107-I176 HydrophobicContact CD1-CD1 3.54Å; L107-I176 HydrophobicContact CD1-CG1 4.39Å; V114-I176 HydrophobicContact CB-CG2 3.96Å; V114-I176 HydrophobicContact CG1-CG2 3.98Å; I116-I176 HydrophobicContact CG1-CG1 4.41Å; I116-I176 HydrophobicContact CG2-CG1 4.32Å; I176-F185 HydrophobicContact CD1-CE1 4.23Å; I176-F185 HydrophobicContact CD1-CZ 3.82Å; I176-F185 HydrophobicContact CG2-CE1 3.9Å
177D97.8Very high95.3Very high14 Ų1433.8 Ų33.88%0.07518%0.176CC..EExtended strand (participates in β ladder)trans-103.1136.1177-55.2-47.6000110.6S94 V114 R115 Q175 V179S94-D177 WeakPolarHBondContact CB-OD1 3.48Å; S94-D177 PolarHBondContact OG-OD1 2.74Å; V114-D177 CarbonylContact C-O 3.46Å; V114-D177 WeakPolarHBondContact CA-O 3.49Å; R115-D177 HydrophobicContact CB-CB 4.38Å; R115-D177 IonicContact CZ-OD2 3.18Å; R115-D177 PolarHBondContact N-O 2.83Å; R115-D177 IonicContact NE-OD2 3.78Å; R115-D177 PolarHBondContact NE-OD2 2.9Å; R115-D177 IonicContact NH2-OD2 3.2Å; R115-D177 PolarHBondContact NH2-OD2 2.78Å; R115-D177 PolarHBondContact O-N 3.42Å; Q175-D177 PolarHBondContact NE2-OD1 3.11Å; D177-V179 PolarHBondContact O-N 2.96Å
178A96.9Very high95.4Very high11 Ų1132.5 Ų32.59%0.09117%0.169CC..EExtended strand (participates in β ladder)trans-74119.516500000110.3L89 K90 A93 T183L89-A178 HydrophobicContact CB-CB 3.9Å; L89-A178 HydrophobicContact CD2-CB 4.24Å; K90-A178 WeakPolarHBondContact O-CB 3.24Å; A93-A178 WeakPolarHBondContact O-CB 3.48Å; A93-A178 PolarHBondContact O-N 3.34Å; A178-T183 HydrophobicContact CB-CG2 3.6Å
179V95.6Very high95.6Very high18 Ų1830.6 Ų30.611%0.10916%0.156CC..EExtended strand (participates in β ladder)trans-97.2118.3176.6-172.70000108.6K113 R115 D177 G181K113-V179 HydrophobicContact CB-CB 4.21Å; K113-V179 HydrophobicContact CD-CB 4.45Å; K113-V179 HydrophobicContact CD-CG1 4.48Å; K113-V179 HydrophobicContact CG-CB 4.11Å; K113-V179 PolarHBondContact O-N 2.88Å; R115-V179 HydrophobicContact CB-CG2 3.62Å; D177-V179 PolarHBondContact O-N 2.96Å; V179-G181 PolarHBondContact O-N 2.94Å; V179-G181 VanDerWaalsContact O-N 3.08Å
180D87.8Confident95.9Very high144 Ų14425.5 Ų25.577%0.7713%0.128SC*.EExtended strand (participates in β ladder)trans54.727.8-179.8-48.3-45.2000113.7K113K113-D180 IonicContact NZ-OD2 2.81Å
181G83.7Confident96.1Very high12 Ų1219.1 Ų19.112%0.12411%0.109CC..EExtended strand (participates in β ladder)trans-54.8-178.7-167.500000116.1S91 V179S91-G181 WeakPolarHBondContact CB-O 3.48Å; S91-G181 PolarHBondContact OG-O 2.98Å; V179-G181 PolarHBondContact O-N 2.94Å; V179-G181 VanDerWaalsContact O-N 3.08Å
182P93.8Very high96.3Very high31 Ų3118.2 Ų18.220%0.20110%0.104CC..EExtended strand (participates in β ladder)cis-76.41591830.5-37000113.8L89L89-P182 WeakPolarHBondContact O-CA 3.48Å
183T97.1Very high96.4Very high0 Ų021 Ų210%011%0.114CC..EExtended strand (participates in β ladder)trans-138.2158176.1-175.40000110.6L89 Y111 V114 A178L89-T183 HydrophobicContact CB-CG2 3.84Å; L89-T183 PolarHBondContact N-O 2.95Å; L89-T183 PolarHBondContact O-N 2.95Å; Y111-T183 WeakPolarHBondContact O-CA 3.3Å; Y111-T183 PolarHBondContact O-OG1 2.84Å; V114-T183 HydrophobicContact CG1-CG2 3.54Å; A178-T183 HydrophobicContact CB-CG2 3.6Å
184A98.1Very high96.3Very high0 Ų023.6 Ų23.60%013%0.128CC..EExtended strand (participates in β ladder)trans-137.2146.1171.100000110.3I53 V86 F87 L88 M110 Y111I53-A184 HydrophobicContact CD1-CB 4.35Å; V86-A184 HydrophobicContact CG1-CB 4.2Å; F87-A184 CarbonylContact O-C 3.54Å; F87-A184 WeakPolarHBondContact O-CA 3.37Å; L88-A184 HydrophobicContact CD1-CB 3.49Å; L88-A184 VanDerWaalsContact CD1-CB 3.49Å; L88-A184 HydrophobicContact CG-CB 4.15Å; M110-A184 HydrophobicContact CB-CB 4.4Å; M110-A184 PolarHBondContact N-O 2.84Å; Y111-A184 HydrophobicContact CD1-CB 3.97Å; Y111-A184 HydrophobicContact CD2-CB 4.3Å; Y111-A184 HydrophobicContact CE1-CB 3.44Å; Y111-A184 VanDerWaalsContact CE1-CB 3.44Å; Y111-A184 HydrophobicContact CE2-CB 3.78Å; Y111-A184 HydrophobicContact CG-CB 4.38Å; Y111-A184 PolarHBondContact N-O 3.18Å; Y111-A184 PolarHBondContact O-N 3.1Å; Y111-A184 VanDerWaalsContact O-N 3.15Å
185F98.7Very high95.9Very high1 Ų127 Ų270%0.00415%0.151CC..EExtended strand (participates in β ladder)trans-137.1143.3171.763.6-100.7000110.9V86 F87 L89 I95 L107 K108 V114 I176 D187V86-F185 CarbonylContact C-O 3.56Å; V86-F185 VanDerWaalsContact CA-O 3.31Å; V86-F185 WeakPolarHBondContact CA-O 3.39Å; V86-F185 WeakPolarHBondContact CG1-O 3.41Å; F87-F185 HydrophobicContact CB-CD1 4.26Å; F87-F185 HydrophobicContact CB-CD2 4.2Å; F87-F185 HydrophobicContact CB-CE1 3.77Å; F87-F185 HydrophobicContact CB-CE2 3.71Å; F87-F185 HydrophobicContact CB-CG 4.48Å; F87-F185 HydrophobicContact CB-CZ 3.47Å; F87-F185 VanDerWaalsContact CB-CZ 3.47Å; F87-F185 HydrophobicContact CD2-CD2 4.19Å; F87-F185 AromaticContact CD2-CE2 3.37Å; F87-F185 HydrophobicContact CD2-CE2 3.37Å; F87-F185 AromaticContact CD2-CZ 3.74Å; F87-F185 HydrophobicContact CD2-CZ 3.74Å; F87-F185 HydrophobicContact CE2-CE2 4.27Å; F87-F185 AromaticContact CG-CE2 3.83Å; F87-F185 HydrophobicContact CG-CE2 3.83Å; F87-F185 AromaticContact CG-CZ 3.74Å; F87-F185 HydrophobicContact CG-CZ 3.74Å; F87-F185 PolarHBondContact N-O 3.01Å; F87-F185 PolarHBondContact O-N 3.23Å; L89-F185 HydrophobicContact CD1-CD1 4.1Å; L89-F185 HydrophobicContact CD1-CE1 3.51Å; L89-F185 HydrophobicContact CD1-CZ 4.39Å; I95-F185 HydrophobicContact CD1-CE1 3.95Å; I95-F185 HydrophobicContact CD1-CZ 3.56Å; L107-F185 HydrophobicContact CD1-CD1 4.23Å; L107-F185 HydrophobicContact CD1-CD2 3.51Å; L107-F185 HydrophobicContact CD1-CE1 4.2Å; L107-F185 HydrophobicContact CD1-CE2 3.47Å; L107-F185 VanDerWaalsContact CD1-CE2 3.47Å; L107-F185 HydrophobicContact CD1-CG 3.88Å; L107-F185 HydrophobicContact CD1-CZ 3.83Å; L107-F185 HydrophobicContact CD2-CB 3.75Å; L107-F185 HydrophobicContact CD2-CD2 4.13Å; L107-F185 HydrophobicContact CD2-CG 3.93Å; L107-F185 HydrophobicContact CG-CB 4.01Å; L107-F185 HydrophobicContact CG-CD2 3.44Å; L107-F185 VanDerWaalsContact CG-CD2 3.44Å; L107-F185 HydrophobicContact CG-CE2 3.92Å; L107-F185 HydrophobicContact CG-CG 3.78Å; K108-F185 CarbonylContact O-C 3.56Å; K108-F185 WeakPolarHBondContact O-CA 3.41Å; K108-F185 WeakPolarHBondContact O-CB 3.22Å; V114-F185 HydrophobicContact CG1-CD1 4.31Å; I176-F185 HydrophobicContact CD1-CE1 4.23Å; I176-F185 HydrophobicContact CD1-CZ 3.82Å; I176-F185 HydrophobicContact CG2-CE1 3.9Å; F185-D187 HydrophobicContact CD2-CB 4.12Å; F185-D187 HydrophobicContact CE2-CB 4.01Å
186L98.9Very high95.7Very high0 Ų031.7 Ų31.70%018%0.178CC..EExtended strand (participates in β ladder)trans-82.5136.1166.717668.7000108.1M43 I46 L51 I76 M84 V86 L107 K108 M110M43-L186 HydrophobicContact CE-CD2 3.89Å; M43-L186 HydrophobicContact CE-CG 4.07Å; M43-L186 HydrophobicContact SD-CD2 3.68Å; M43-L186 HydrophobicContact SD-CG 4.44Å; I46-L186 HydrophobicContact CD1-CD2 4.02Å; I46-L186 HydrophobicContact CG2-CD2 4.18Å; L51-L186 HydrophobicContact CD1-CD1 4.48Å; I76-L186 HydrophobicContact CD1-CD1 3.66Å; M84-L186 HydrophobicContact CG-CD1 3.81Å; M84-L186 HydrophobicContact SD-CD1 4.29Å; V86-L186 HydrophobicContact CG2-CD1 4Å; L107-L186 CarbonylContact C-O 3.57Å; L107-L186 WeakPolarHBondContact CA-O 3.4Å; K108-L186 PolarHBondContact N-O 3.2Å; K108-L186 PolarHBondContact O-N 3.01Å; M110-L186 HydrophobicContact CG-CB 4.14Å; M110-L186 HydrophobicContact SD-CB 3.74Å
187D98.7Very high95.2Very high11 Ų1136.6 Ų36.66%0.05920%0.204CC..EExtended strand (participates in β ladder)trans-127.7142178.3-158.328.3000110.7M84 G85 F87 F185M84-D187 WeakPolarHBondContact CA-O 3.31Å; G85-D187 PolarHBondContact N-O 3.04Å; G85-D187 VanDerWaalsContact N-O 3.1Å; G85-D187 PolarHBondContact O-N 2.96Å; F87-D187 HydrophobicContact CD2-CB 4.22Å; F87-D187 HydrophobicContact CE2-CB 4.22Å; F185-D187 HydrophobicContact CD2-CB 4.12Å; F185-D187 HydrophobicContact CE2-CB 4.01Å
188I98.8Very high94.8Very high1 Ų138.4 Ų38.41%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-125.8126.8170.1-64175000106.8I13 A17 F21 L39 M43 F82 S83 M84 G105 M106I13-I188 HydrophobicContact CG2-CD1 3.51Å; A17-I188 HydrophobicContact CB-CD1 4.46Å; A17-I188 HydrophobicContact CB-CG2 4.41Å; F21-I188 HydrophobicContact CE2-CG2 4.34Å; L39-I188 HydrophobicContact CD1-CD1 4.21Å; M43-I188 HydrophobicContact CE-CD1 4.08Å; M43-I188 HydrophobicContact CE-CG1 4.26Å; M43-I188 HydrophobicContact CG-CD1 4.34Å; M43-I188 HydrophobicContact SD-CD1 3.6Å; M43-I188 HydrophobicContact SD-CG1 4.36Å; F82-I188 HydrophobicContact CB-CG2 4.41Å; F82-I188 HydrophobicContact CD2-CG2 4.07Å; S83-I188 WeakPolarHBondContact O-CA 3.45Å; M84-I188 HydrophobicContact CB-CG1 4.2Å; M84-I188 HydrophobicContact CG-CG1 3.81Å; M84-I188 HydrophobicContact SD-CD1 4.04Å; M84-I188 HydrophobicContact SD-CG1 4Å; G105-I188 CarbonylContact C-O 3.53Å; G105-I188 WeakPolarHBondContact CA-O 3.3Å; M106-I188 PolarHBondContact N-O 2.91Å; M106-I188 PolarHBondContact O-N 2.87Å; M106-I188 VanDerWaalsContact O-N 3.12Å
189L98.6Very high94.7Very high10 Ų1040.1 Ų40.15%0.05223%0.23CC..EExtended strand (participates in β ladder)trans-122.5135.5175.4-64176.6000109.7F82 S83 M103 Y104 L166 P191 Y193F82-L189 CarbonylContact C-O 3.59Å; F82-L189 WeakPolarHBondContact CA-O 3.4Å; F82-L189 WeakPolarHBondContact CB-O 3.31Å; S83-L189 PolarHBondContact N-O 3.12Å; S83-L189 PolarHBondContact O-N 3.09Å; M103-L189 HydrophobicContact CE-CB 3.63Å; M103-L189 HydrophobicContact CE-CD1 3.75Å; M103-L189 HydrophobicContact CE-CD2 4.25Å; M103-L189 HydrophobicContact CE-CG 4.07Å; Y104-L189 WeakPolarHBondContact O-CA 3.19Å; L166-L189 HydrophobicContact CD2-CD2 4.46Å; L189-P191 CarbonylContact C-O 3.56Å; L189-Y193 HydrophobicContact CD1-CD2 4.25Å; L189-Y193 HydrophobicContact CD1-CE2 3.79Å
190A97.9Very high94.6Very high1 Ų142.4 Ų42.41%0.00824%0.242CC..EExtended strand (participates in β ladder)trans-143.3118.5-174.900000112.5F21 E81 F82 M103 Y104F21-A190 HydrophobicContact CB-CB 3.91Å; F21-A190 HydrophobicContact CD1-CB 3.51Å; F21-A190 HydrophobicContact CD2-CB 3.4Å; F21-A190 HydrophobicContact CE1-CB 3.79Å; F21-A190 HydrophobicContact CE2-CB 3.68Å; F21-A190 HydrophobicContact CG-CB 3.31Å; F21-A190 HydrophobicContact CZ-CB 3.87Å; E81-A190 WeakPolarHBondContact O-CA 3.17Å; E81-A190 WeakPolarHBondContact O-CB 3.49Å; F82-A190 HydrophobicContact CB-CB 3.92Å; M103-A190 WeakPolarHBondContact CA-O 3.46Å; Y104-A190 PolarHBondContact N-O 2.98Å; Y104-A190 PolarHBondContact O-N 2.88Å
191P97.3Very high95Very high32 Ų3237.5 Ų37.521%0.20822%0.219CC..SBendcis-63.8172.7-10.631.1-37.1000112.1E81 M103 L189E81-P191 WeakPolarHBondContact O-CA 3.5Å; M103-P191 WeakPolarHBondContact CE-O 3.39Å; M103-P191 HydrophobicContact CG-CG 4.45Å; M103-P191 WeakPolarHBondContact CG-O 3.38Å; L189-P191 CarbonylContact C-O 3.56Å
192P97.5Very high95.6Very high12 Ų1239.4 Ų39.48%0.07822%0.224CC..PPolyproline II helixtrans-60.7164.8166.9-16.829.4000112.2E78 T79 D80 R199E78-P192 HydrophobicContact CG-CB 4.49Å; E78-P192 HydrophobicContact CG-CG 4Å; T79-P192 WeakPolarHBondContact O-CG 3.35Å; D80-P192 WeakPolarHBondContact O-CD 3.14Å; P192-R199 PolarHBondContact O-NE 3.04Å; P192-R199 VanDerWaalsContact O-NE 3.14Å
193Y95.9Very high95.8Very high71 Ų7139.5 Ų39.528%0.27822%0.221SC..PPolyproline II helixtrans-59.4143.6164.6-71.6-66.8000110.6D99 H100 M103 L189 R199 C201D99-Y193 PolarHBondContact O-OH 3.38Å; H100-Y193 AromaticContact CE1-CZ 3.83Å; H100-Y193 PolarHBondContact CE1-OH 2.87Å; H100-Y193 AromaticContact ND1-CE2 3.95Å; H100-Y193 AromaticContact ND1-CZ 3.39Å; H100-Y193 PolarHBondContact ND1-OH 3.42Å; M103-Y193 HydrophobicContact CE-CD1 3.88Å; M103-Y193 HydrophobicContact CE-CD2 4.08Å; M103-Y193 HydrophobicContact CE-CE1 3.95Å; M103-Y193 HydrophobicContact CE-CE2 4.12Å; M103-Y193 HydrophobicContact CE-CG 3.98Å; M103-Y193 HydrophobicContact SD-CD1 3.65Å; M103-Y193 HydrophobicContact SD-CE1 3.72Å; M103-Y193 HydrophobicContact SD-CG 4.29Å; L189-Y193 HydrophobicContact CD1-CD2 4.25Å; L189-Y193 HydrophobicContact CD1-CE2 3.79Å; Y193-R199 WeakPolarHBondContact CA-O 3.45Å; Y193-R199 WeakPolarHBondContact CB-O 3.13Å; Y193-R199 VanDerWaalsContact CD1-O 3.24Å; Y193-R199 WeakPolarHBondContact CD1-O 3.42Å; Y193-C201 HydrophobicContact CD1-CB 4.16Å; Y193-C201 HydrophobicContact CE1-CB 3.63Å; Y193-C201 HydrophobicContact CE2-CB 4.2Å; Y193-C201 PolarHBondContact OH-SG 3Å; Y193-C201 VanDerWaalsContact OH-SG 3.32Å
194D94.9Very high95.8Very high54 Ų5440 Ų4029%0.28922%0.223SC..BIsolated β-bridgetrans-155.896.7-178.4-175.1-9.7000108.7D196 D197 G198 R199D194-D196 PolarHBondContact O-N 3.35Å; D194-D196 PolarHBondContact OD1-N 2.82Å; D194-D196 VanDerWaalsContact OD1-N 3.09Å; D194-D197 HydrophobicContact CB-CB 4.27Å; D194-D197 CarbonylContact O-C 3.53Å; D194-D197 PolarHBondContact O-N 2.92Å; D194-D197 PolarHBondContact OD1-N 3.48Å; D194-G198 PolarHBondContact O-N 2.83Å; D194-R199 HydrophobicContact CB-CB 4.37Å; D194-R199 PolarHBondContact N-O 2.7Å; D194-R199 CarbonylContact O-C 3.53Å; D194-R199 WeakPolarHBondContact O-CA 3.44Å; D194-R199 PolarHBondContact O-N 3.19Å; D194-R199 IonicContact OD2-NH2 3.5Å; D194-R199 PolarHBondContact OD2-NH2 2.84Å
195P89.8Confident95.7Very high76 Ų7644.6 Ų44.649%0.49424%0.243SC..G310 helixtrans-55.8-36.3178.2-25.133.3000113.1D197 G198 D200P195-D197 PolarHBondContact O-N 3.35Å; P195-G198 PolarHBondContact O-N 2.95Å; P195-G198 VanDerWaalsContact O-N 3.14Å; P195-D200 WeakPolarHBondContact CA-OD1 3.44Å; P195-D200 WeakPolarHBondContact CB-OD1 3.43Å; P195-D200 WeakPolarHBondContact CG-OD1 3.47Å
196D92.4Very high95.4Very high164 Ų16448 Ų4888%0.87726%0.264SS*.G310 helixtrans-70.3-24.1-176-68.3-33.7000111.7D194D194-D196 PolarHBondContact O-N 3.35Å; D194-D196 PolarHBondContact OD1-N 2.82Å; D194-D196 VanDerWaalsContact OD1-N 3.09Å
197D88.9Confident94.9Very high105 Ų10549.1 Ų49.156%0.56127%0.269SS*.G310 helixtrans-106.721174.6-157.920.3000112.9D194 P195 R199D194-D197 HydrophobicContact CB-CB 4.27Å; D194-D197 CarbonylContact O-C 3.53Å; D194-D197 PolarHBondContact O-N 2.92Å; D194-D197 PolarHBondContact OD1-N 3.48Å; P195-D197 PolarHBondContact O-N 3.35Å; D197-R199 VanDerWaalsContact C-N 3.26Å; D197-R199 VanDerWaalsContact CG-NH1 3.32Å; D197-R199 PolarHBondContact O-N 2.8Å; D197-R199 IonicContact OD2-CZ 3.03Å; D197-R199 IonicContact OD2-NH1 3.29Å; D197-R199 PolarHBondContact OD2-NH1 2.87Å; D197-R199 IonicContact OD2-NH2 3.4Å; D197-R199 PolarHBondContact OD2-NH2 2.88Å
198G90.4Very high93.9Very high53 Ų5355.8 Ų55.855%0.54630%0.3SS..THydrogen-bonded Turntrans70.216.2173.800000115.1D194 P195 D200D194-G198 PolarHBondContact O-N 2.83Å; P195-G198 PolarHBondContact O-N 2.95Å; P195-G198 VanDerWaalsContact O-N 3.14Å; G198-D200 VanDerWaalsContact C-N 3.32Å; G198-D200 PolarHBondContact O-N 2.84Å
199R93.9Very high92.5Very high46 Ų4658.5 Ų58.517%0.17432%0.319CS..BIsolated β-bridgetrans-97.456.4171.8-65.6-174.3-67.9-75.9-1.9109.9P192 Y193 D194 D197P192-R199 PolarHBondContact O-NE 3.04Å; P192-R199 VanDerWaalsContact O-NE 3.14Å; Y193-R199 WeakPolarHBondContact CA-O 3.45Å; Y193-R199 WeakPolarHBondContact CB-O 3.13Å; Y193-R199 VanDerWaalsContact CD1-O 3.24Å; Y193-R199 WeakPolarHBondContact CD1-O 3.42Å; D194-R199 HydrophobicContact CB-CB 4.37Å; D194-R199 PolarHBondContact N-O 2.7Å; D194-R199 CarbonylContact O-C 3.53Å; D194-R199 WeakPolarHBondContact O-CA 3.44Å; D194-R199 PolarHBondContact O-N 3.19Å; D194-R199 IonicContact OD2-NH2 3.5Å; D194-R199 PolarHBondContact OD2-NH2 2.84Å; D197-R199 VanDerWaalsContact C-N 3.26Å; D197-R199 VanDerWaalsContact CG-NH1 3.32Å; D197-R199 PolarHBondContact O-N 2.8Å; D197-R199 IonicContact OD2-CZ 3.03Å; D197-R199 IonicContact OD2-NH1 3.29Å; D197-R199 PolarHBondContact OD2-NH1 2.87Å; D197-R199 IonicContact OD2-NH2 3.4Å; D197-R199 PolarHBondContact OD2-NH2 2.88Å
200D94.4Very high90.8Very high67 Ų6759 Ų5936%0.35833%0.325SS..  trans-76.9148.7169.3-84.3-52.4000111.1P101 P195 G198 H202P101-D200 WeakPolarHBondContact CD-O 3.34Å; P101-D200 WeakPolarHBondContact CG-O 3.44Å; P195-D200 WeakPolarHBondContact CA-OD1 3.44Å; P195-D200 WeakPolarHBondContact CB-OD1 3.43Å; P195-D200 WeakPolarHBondContact CG-OD1 3.47Å; G198-D200 VanDerWaalsContact C-N 3.32Å; G198-D200 PolarHBondContact O-N 2.84Å; D200-H202 PolarHBondContact O-CE1 2.73Å; D200-H202 PolarHBondContact O-ND1 3.15Å
201C95.5Very high88.8Confident41 Ų4165 Ų6528%0.27736%0.364SS..  trans-80.2114.9167-174.80000109Y193Y193-C201 HydrophobicContact CD1-CB 4.16Å; Y193-C201 HydrophobicContact CE1-CB 3.63Å; Y193-C201 HydrophobicContact CE2-CB 4.2Å; Y193-C201 PolarHBondContact OH-SG 3Å; Y193-C201 VanDerWaalsContact OH-SG 3.32Å
202H96.5Very high86.7Confident51 Ų5168.9 Ų68.924%0.23638%0.383CS..  trans-103.2146.4177.5-52.781000110H98 D99 D200 Y204 E228H98-H202 WeakPolarHBondContact CA-O 3.26Å; H98-H202 WeakPolarHBondContact CB-O 3.37Å; D99-H202 PolarHBondContact N-O 2.76Å; D99-H202 WeakPolarHBondContact OD1-CB 3.47Å; D99-H202 IonicContact OD1-CG 3.85Å; D99-H202 PolarHBondContact OD1-N 3.44Å; D99-H202 IonicContact OD1-ND1 3.44Å; D99-H202 PolarHBondContact OD1-ND1 3.17Å; D99-H202 IonicContact OD2-CG 2.91Å; D99-H202 IonicContact OD2-ND1 3.49Å; D200-H202 PolarHBondContact O-CE1 2.73Å; D200-H202 PolarHBondContact O-ND1 3.15Å; H202-Y204 HydrophobicContact CB-CE2 3.74Å; H202-Y204 WeakPolarHBondContact CB-OH 3.45Å; H202-Y204 WeakPolarHBondContact O-CE2 3.32Å; H202-E228 HydrophobicContact CB-CG 4.31Å; H202-E228 IonicContact CD2-OE1 3.67Å
203Y97.9Very high84.2Confident34 Ų3473.8 Ų73.813%0.13342%0.417CS..EExtended strand (participates in β ladder)trans-104.3150176.8-64-79.3000111.4P96 L97 H98 E228 V229 Q231 F235P96-Y203 HydrophobicContact CB-CD1 4Å; P96-Y203 HydrophobicContact CB-CE1 4.41Å; P96-Y203 HydrophobicContact CG-CD1 4.46Å; P96-Y203 HydrophobicContact CG-CE1 4.5Å; L97-Y203 CarbonylContact O-C 3.5Å; L97-Y203 WeakPolarHBondContact O-CA 3.36Å; H98-Y203 HydrophobicContact CB-CD1 3.93Å; H98-Y203 HydrophobicContact CB-CE1 4.01Å; Y203-E228 CarbonylContact O-C 3.54Å; Y203-E228 WeakPolarHBondContact O-CA 3.31Å; Y203-V229 PolarHBondContact O-N 3.08Å; Y203-Q231 VanDerWaalsContact CD2-CA 3.44Å; Y203-Q231 HydrophobicContact CD2-CB 3.74Å; Y203-Q231 HydrophobicContact CD2-CG 4.2Å; Y203-Q231 HydrophobicContact CE2-CB 3.6Å; Y203-Q231 HydrophobicContact CE2-CG 3.7Å; Y203-F235 HydrophobicContact CE1-CD1 4.21Å; Y203-F235 HydrophobicContact CE1-CE1 4.11Å; Y203-F235 WeakPolarHBondContact OH-CE1 3.22Å
204Y97.3Very high81.8Confident10 Ų1078.7 Ų78.74%0.03944%0.443CS..EExtended strand (participates in β ladder)trans-135.9158.3-178-55.3-91.8000111.6L97 D99 R121 R147 L173 H202 L226 M227 E228L97-Y204 PolarHBondContact O-N 3.16Å; D99-Y204 HydrophobicContact CB-CE2 3.9Å; D99-Y204 WeakPolarHBondContact OD2-CE2 3.42Å; D99-Y204 PolarHBondContact OD2-OH 3.48Å; R121-Y204 PolarHBondContact NH2-OH 3.38Å; R147-Y204 HydrophobicContact CG-CD1 4.28Å; R147-Y204 HydrophobicContact CG-CE1 3.71Å; L173-Y204 HydrophobicContact CD2-CD2 3.49Å; L173-Y204 VanDerWaalsContact CD2-CD2 3.49Å; L173-Y204 HydrophobicContact CD2-CE2 3.45Å; L173-Y204 VanDerWaalsContact CD2-CE2 3.45Å; L173-Y204 HydrophobicContact CD2-CG 4.1Å; H202-Y204 HydrophobicContact CB-CE2 3.74Å; H202-Y204 WeakPolarHBondContact CB-OH 3.45Å; H202-Y204 WeakPolarHBondContact O-CE2 3.32Å; Y204-L226 HydrophobicContact CD1-CB 4.2Å; Y204-L226 HydrophobicContact CG-CB 4.48Å; Y204-M227 CarbonylContact C-O 3.57Å; Y204-M227 VanDerWaalsContact CA-O 3.26Å; Y204-M227 WeakPolarHBondContact CA-O 3.18Å; Y204-E228 HydrophobicContact CD1-CB 4Å; Y204-E228 HydrophobicContact CD1-CG 4.39Å; Y204-E228 HydrophobicContact CE1-CB 3.75Å; Y204-E228 HydrophobicContact CE1-CG 3.89Å
205K94.8Very high79.5Confident96 Ų9683.6 Ų83.642%0.41747%0.469SS..EExtended strand (participates in β ladder)trans-123.9144.1162.971.7-176.1-167.6-1680110.5L207 L226 M227 V229K205-L207 HydrophobicContact CG-CD2 4.26Å; K205-L226 WeakPolarHBondContact O-CA 3.35Å; K205-M227 HydrophobicContact CD-CE 4.2Å; K205-M227 HydrophobicContact CG-CB 4.22Å; K205-M227 PolarHBondContact N-O 3.2Å; K205-M227 PolarHBondContact O-N 3.18Å; K205-V229 HydrophobicContact CD-CG1 4.06Å; K205-V229 HydrophobicContact CG-CG1 4.16Å
206V92.9Very high77.5Confident74 Ų7488.2 Ų88.245%0.44848%0.481SS..EExtended strand (participates in β ladder)trans-71.4128.5172.1-178.60000108.8L97 F119 I224 L226L97-V206 HydrophobicContact CD2-CG2 4.1Å; F119-V206 HydrophobicContact CE1-CG2 4.17Å; F119-V206 HydrophobicContact CZ-CG2 3.79Å; V206-I224 HydrophobicContact CG1-CG2 3.75Å; V206-L226 HydrophobicContact CB-CD2 4.32Å; V206-L226 HydrophobicContact CG2-CD2 3.75Å
207L89.4Confident75Confident22 Ų2290.4 Ų90.412%0.11548%0.483CS..EExtended strand (participates in β ladder)trans-93.4142.7171.9-62.2-175.2000110.8F134 L138 L146 K205 W225 M227F134-L207 HydrophobicContact CD1-CB 3.91Å; F134-L207 HydrophobicContact CD1-CD1 3.91Å; F134-L207 HydrophobicContact CE1-CB 4.06Å; F134-L207 HydrophobicContact CE1-CD1 3.9Å; F134-L207 HydrophobicContact CG-CD1 4.37Å; F134-L207 HydrophobicContact CZ-CD1 4.36Å; L138-L207 HydrophobicContact CD1-CD1 3.92Å; L138-L207 HydrophobicContact CD2-CD1 3.98Å; L138-L207 HydrophobicContact CD2-CD2 4.47Å; L138-L207 HydrophobicContact CG-CD1 4.46Å; L146-L207 HydrophobicContact CD2-CD1 3.43Å; L146-L207 VanDerWaalsContact CD2-CD1 3.43Å; K205-L207 HydrophobicContact CG-CD2 4.26Å; L207-W225 HydrophobicContact CB-CB 4.25Å; L207-W225 HydrophobicContact CD1-CB 4.44Å; L207-W225 PolarHBondContact N-O 2.86Å; L207-M227 HydrophobicContact CD1-CB 3.99Å; L207-M227 HydrophobicContact CD2-CB 4.08Å; L207-M227 HydrophobicContact CD2-SD 4.42Å; L207-M227 HydrophobicContact CG-CB 4Å
208Q76.8Confident72.8Confident152 Ų15290.5 Ų90.571%0.7150%0.499SS*.PPolyproline II helixtrans-87.7118168.6-66.3-178.9-300108.8S135S135-Q208 PolarHBondContact N-O 3.44Å
209S69.8Low70.7Confident57 Ų5795 Ų9540%0.39951%0.51SS..BIsolated β-bridgetrans-62141.5163.3-53.40000108.7
210A62.4Low68.6Low21 Ų21100.4 Ų100.417%0.17454%0.542CS..PPolyproline II helixtrans-56.8146.6169.200000109.1Q133 D212Q133-A210 HydrophobicContact CB-CB 4.3Å; Q133-A210 HydrophobicContact CG-CB 4.32Å; Q133-A210 WeakPolarHBondContact O-CB 3.49Å; Q133-A210 PolarHBondContact O-N 3.32Å; A210-D212 PolarHBondContact O-N 2.96Å
211P56.5Low66.8Low128 Ų128103.6 Ų103.683%0.83156%0.555SS**  trans-59115.7175.122.5-30.2000109.1S213P211-S213 PolarHBondContact O-N 3.27Å
212D53.6Low65.7Low112 Ų112110.1 Ų110.160%0.59958%0.579SS**  trans-60.9128.3168.3-85-4.3000107.5A210 E214 K216A210-D212 PolarHBondContact O-N 2.96Å; D212-E214 PolarHBondContact O-N 2.7Å; D212-K216 IonicContact OD2-NZ 3.87Å; D212-K216 PolarHBondContact OD2-NZ 2.92Å
213S44.3Very low65.1Low115 Ų115110.7 Ų110.780%0.80458%0.581SS**SBendtrans-66.2101.8165.351.60000108.9P211P211-S213 PolarHBondContact O-N 3.27Å
214E45.8Very low64.6Low175 Ų175110.4 Ų110.482%0.81858%0.582SS**SBendtrans65.5138.4161.4-60.3-175.9163.400119.3D212D212-E214 PolarHBondContact O-N 2.7Å
215D46.2Very low64.3Low157 Ų157110.7 Ų110.784%0.8458%0.583SS**  trans6068.8158-69.5-17.5000120.2
216K47.5Very low64.3Low173 Ų173106.1 Ų106.175%0.75256%0.563SS**  trans-113117147.2-71.4177-172.8151.70109.5D212 A218D212-K216 IonicContact OD2-NZ 3.87Å; D212-K216 PolarHBondContact OD2-NZ 2.92Å; K216-A218 PolarHBondContact O-N 3.05Å
217K40.2Very low64.4Low210 Ų210103 Ų10391%0.91354%0.544SS*.  trans-50134-179.1-70.7-177.3176.3-179.70110.9D219K217-D219 VanDerWaalsContact C-N 3.33Å; K217-D219 PolarHBondContact O-N 3.35Å
218A43.2Very low64.6Low107 Ų107104.9 Ų104.988%0.88455%0.552SS**SBendtrans-73.381.4176.500000110.7K216K216-A218 PolarHBondContact O-N 3.05Å
219D45.2Very low65.5Low147 Ų14799.7 Ų99.779%0.78653%0.53SS*.  trans-162.692.4157.2-148.113.6000108.1K217K217-D219 VanDerWaalsContact C-N 3.33Å; K217-D219 PolarHBondContact O-N 3.35Å
220D50.2Low66.8Low159 Ų159102.2 Ų102.285%0.8555%0.548SS*.SBendtrans168.7143.2158.3-88.4-24.7000108.4K222D220-K222 PolarHBondContact O-N 2.64Å
221Q57.8Low68.4Low134 Ų134105.8 Ų105.863%0.62656%0.561SS**  trans-49.3117.8179.1-73.6174.4-20.200110.3I150 E223I150-Q221 HydrophobicContact CG2-CB 4.36Å; Q221-E223 PolarHBondContact O-N 3.29Å
222K71.2Confident70.2Confident179 Ų179101 Ų10178%0.77853%0.53SS*.  trans-56.3113.8-174.6-171174.8-177.8177.80109.6D220 I224D220-K222 PolarHBondContact O-N 2.64Å; K222-I224 PolarHBondContact O-N 3.45Å
223E83.7Confident72.1Confident62 Ų62101.1 Ų101.129%0.2954%0.54SS..EExtended strand (participates in β ladder)trans-58.1134.8173-175.4175.7155.400110L122 R148 Q221L122-E223 HydrophobicContact CD1-CG 4.32Å; R148-E223 VanDerWaalsContact CD-OE1 3.31Å; R148-E223 WeakPolarHBondContact CD-OE1 3.21Å; R148-E223 HydrophobicContact CG-CG 4.11Å; R148-E223 VanDerWaalsContact CG-OE1 3.22Å; R148-E223 WeakPolarHBondContact CG-OE1 3.02Å; R148-E223 IonicContact CZ-OE1 3.54Å; R148-E223 IonicContact CZ-OE2 3.26Å; R148-E223 IonicContact NE-OE1 3.74Å; R148-E223 PolarHBondContact NE-OE1 2.63Å; R148-E223 IonicContact NE-OE2 3.86Å; R148-E223 PolarHBondContact NE-OE2 2.83Å; R148-E223 IonicContact NH2-OE1 3.88Å; R148-E223 IonicContact NH2-OE2 3.56Å; R148-E223 PolarHBondContact NH2-OE2 2.64Å; Q221-E223 PolarHBondContact O-N 3.29Å
224I88.8Confident74.3Confident29 Ų29101.9 Ų101.915%0.14953%0.531CS..EExtended strand (participates in β ladder)trans-125.6142-179.5-66.3175.9000108.6F119 S149 L151 V206 K222 L226F119-I224 HydrophobicContact CD1-CD1 4.3Å; F119-I224 HydrophobicContact CE1-CD1 3.87Å; F119-I224 HydrophobicContact CE1-CG2 4.39Å; S149-I224 CarbonylContact C-O 3.53Å; S149-I224 WeakPolarHBondContact CA-O 3.18Å; S149-I224 PolarHBondContact N-O 3.22Å; S149-I224 PolarHBondContact O-N 2.77Å; L151-I224 HydrophobicContact CB-CD1 3.81Å; V206-I224 HydrophobicContact CG1-CG2 3.75Å; K222-I224 PolarHBondContact O-N 3.45Å; I224-L226 HydrophobicContact CG2-CD2 4.01Å
225W91.1Very high76.6Confident15 Ų1594.2 Ų94.26%0.05750%0.495CS..EExtended strand (participates in β ladder)trans-101.3125.1171.5-7194.6000110.1A129 F134 L146 R148 L207A129-W225 HydrophobicContact CB-CH2 3.7Å; A129-W225 HydrophobicContact CB-CZ2 4.4Å; A129-W225 HydrophobicContact CB-CZ3 4.15Å; F134-W225 HydrophobicContact CE1-CB 3.63Å; F134-W225 AromaticContact CE1-CD1 3.65Å; F134-W225 HydrophobicContact CE1-CD2 4.46Å; F134-W225 AromaticContact CE1-CG 3.62Å; F134-W225 HydrophobicContact CE1-CG 3.62Å; F134-W225 HydrophobicContact CZ-CB 3.94Å; F134-W225 AromaticContact CZ-CD1 3.73Å; F134-W225 AromaticContact CZ-CD2 3.95Å; F134-W225 HydrophobicContact CZ-CD2 3.95Å; F134-W225 AromaticContact CZ-CG 3.58Å; F134-W225 HydrophobicContact CZ-CG 3.58Å; L146-W225 HydrophobicContact CB-CE3 3.94Å; L146-W225 HydrophobicContact CB-CZ3 4.04Å; L146-W225 HydrophobicContact CD1-CE3 4.39Å; R148-W225 HydrophobicContact CB-CE3 4.22Å; R148-W225 HydrophobicContact CB-CH2 3.92Å; R148-W225 HydrophobicContact CB-CZ3 3.77Å; R148-W225 HydrophobicContact CG-CH2 4.08Å; R148-W225 HydrophobicContact CG-CZ2 4.21Å; R148-W225 HydrophobicContact CG-CZ3 4.34Å; L207-W225 HydrophobicContact CB-CB 4.25Å; L207-W225 HydrophobicContact CD1-CB 4.44Å; L207-W225 PolarHBondContact N-O 2.86Å
226L93.7Very high78.8Confident0 Ų091.4 Ų91.40%047%0.472CS..EExtended strand (participates in β ladder)trans-101141.5169.3-56.2-176.3000108.6L97 F119 L146 R147 S149 L173 Y204 K205 V206 I224L97-L226 HydrophobicContact CD2-CD1 4.05Å; L97-L226 HydrophobicContact CD2-CD2 3.67Å; L97-L226 HydrophobicContact CD2-CG 4.43Å; F119-L226 HydrophobicContact CB-CD1 4.2Å; F119-L226 HydrophobicContact CD1-CD2 4.42Å; F119-L226 HydrophobicContact CG-CD1 4.39Å; L146-L226 CarbonylContact C-O 3.55Å; L146-L226 WeakPolarHBondContact CA-O 3.4Å; R147-L226 HydrophobicContact CB-CB 4.3Å; R147-L226 PolarHBondContact N-O 2.83Å; R147-L226 PolarHBondContact O-N 2.69Å; S149-L226 WeakPolarHBondContact OG-CD1 3.36Å; L173-L226 HydrophobicContact CD1-CD1 4.09Å; L173-L226 HydrophobicContact CD2-CD1 3.98Å; L173-L226 HydrophobicContact CG-CD1 4.48Å; Y204-L226 HydrophobicContact CD1-CB 4.2Å; Y204-L226 HydrophobicContact CG-CB 4.48Å; K205-L226 WeakPolarHBondContact O-CA 3.35Å; V206-L226 HydrophobicContact CB-CD2 4.32Å; V206-L226 HydrophobicContact CG2-CD2 3.75Å; I224-L226 HydrophobicContact CG2-CD2 4.01Å
227M94.2Very high81.1Confident10 Ų1085.9 Ų85.95%0.04946%0.455CS..EExtended strand (participates in β ladder)trans-115.2122.2172.7-167.6-177.289.900108.8L138 Q142 A145 L146 Y204 K205 L207 V229L138-M227 HydrophobicContact CD2-SD 4.14Å; Q142-M227 HydrophobicContact CB-SD 4.01Å; Q142-M227 HydrophobicContact CG-SD 4.28Å; A145-M227 HydrophobicContact CB-CG 4.07Å; L146-M227 HydrophobicContact CD2-CB 4.19Å; L146-M227 HydrophobicContact CD2-CG 4.23Å; Y204-M227 CarbonylContact C-O 3.57Å; Y204-M227 VanDerWaalsContact CA-O 3.26Å; Y204-M227 WeakPolarHBondContact CA-O 3.18Å; K205-M227 HydrophobicContact CD-CE 4.2Å; K205-M227 HydrophobicContact CG-CB 4.22Å; K205-M227 PolarHBondContact N-O 3.2Å; K205-M227 PolarHBondContact O-N 3.18Å; L207-M227 HydrophobicContact CD1-CB 3.99Å; L207-M227 HydrophobicContact CD2-CB 4.08Å; L207-M227 HydrophobicContact CD2-SD 4.42Å; L207-M227 HydrophobicContact CG-CB 4Å; M227-V229 HydrophobicContact CE-CG1 3.61Å
228E95.5Very high83.7Confident60 Ų6076.7 Ų76.728%0.2842%0.419SS..EExtended strand (participates in β ladder)trans-61.3135.2172.3-162.9-178.2130.300109.9A145 R147 H202 Y203 Y204A145-E228 HydrophobicContact CB-CB 4.06Å; A145-E228 PolarHBondContact O-N 3.41Å; R147-E228 IonicContact CZ-OE2 3.41Å; R147-E228 IonicContact NE-OE2 3.19Å; R147-E228 IonicContact NH2-OE2 2.7Å; R147-E228 PolarHBondContact NH2-OE2 2.64Å; H202-E228 HydrophobicContact CB-CG 4.31Å; H202-E228 IonicContact CD2-OE1 3.67Å; Y203-E228 CarbonylContact O-C 3.54Å; Y203-E228 WeakPolarHBondContact O-CA 3.31Å; Y204-E228 HydrophobicContact CD1-CB 4Å; Y204-E228 HydrophobicContact CD1-CG 4.39Å; Y204-E228 HydrophobicContact CE1-CB 3.75Å; Y204-E228 HydrophobicContact CE1-CG 3.89Å
229V95.6Very high86.2Confident43 Ų4375.1 Ų75.126%0.26141%0.414SS..EExtended strand (participates in β ladder)trans-139159.9-178-66.90000109.9Y203 K205 M227Y203-V229 PolarHBondContact O-N 3.08Å; K205-V229 HydrophobicContact CD-CG1 4.06Å; K205-V229 HydrophobicContact CG-CG1 4.16Å; M227-V229 HydrophobicContact CE-CG1 3.61Å
230S96.1Very high88.5Confident110 Ų11069.9 Ų69.977%0.76938%0.384SS*.PPolyproline II helixtrans-62.1157.7165.8-53.30000110.7
231Q96.3Very high90.8Very high97 Ų9768 Ų6845%0.45338%0.381SS..PPolyproline II helixtrans-46.9125.7172-176178.51.700110.6Y203 S233 F235Y203-Q231 VanDerWaalsContact CD2-CA 3.44Å; Y203-Q231 HydrophobicContact CD2-CB 3.74Å; Y203-Q231 HydrophobicContact CD2-CG 4.2Å; Y203-Q231 HydrophobicContact CE2-CB 3.6Å; Y203-Q231 HydrophobicContact CE2-CG 3.7Å; Q231-S233 PolarHBondContact O-N 3.49Å; Q231-F235 HydrophobicContact CG-CD1 4.04Å; Q231-F235 PolarHBondContact NE2-O 3Å
232P95.1Very high92.7Very high27 Ų2763.6 Ų63.618%0.17536%0.359CS..PPolyproline II helixtrans-59.4135.3177.7-24.234.2000111.2P96 E234 F235P96-P232 HydrophobicContact CB-CG 3.96Å; P96-P232 HydrophobicContact CG-CB 4.5Å; P96-P232 HydrophobicContact CG-CG 3.84Å; P232-E234 VanDerWaalsContact CB-CD 3.43Å; P232-E234 HydrophobicContact CB-CG 4.2Å; P232-E234 WeakPolarHBondContact CB-OE1 3.45Å; P232-E234 WeakPolarHBondContact CB-OE2 3.08Å; P232-E234 PolarHBondContact O-N 2.81Å; P232-E234 VanDerWaalsContact O-N 3.15Å; P232-F235 HydrophobicContact CB-CB 4.48Å; P232-F235 PolarHBondContact O-N 3.06Å; P232-F235 VanDerWaalsContact O-O 3.14Å
233S92.6Very high93.9Very high114 Ų11458.1 Ų58.180%0.79734%0.342SS*.THydrogen-bonded Turntrans-60.9-25.5-176.254.50000114.2Q231 F235Q231-S233 PolarHBondContact O-N 3.49Å; S233-F235 VanDerWaalsContact C-N 3.3Å
234E89.8Confident94.6Very high132 Ų13255.8 Ų55.862%0.61733%0.334SS*.THydrogen-bonded Turntrans-80.1-10.5177.764.1-88.5-152.400113.2P232 W236P232-E234 VanDerWaalsContact CB-CD 3.43Å; P232-E234 HydrophobicContact CB-CG 4.2Å; P232-E234 WeakPolarHBondContact CB-OE1 3.45Å; P232-E234 WeakPolarHBondContact CB-OE2 3.08Å; P232-E234 PolarHBondContact O-N 2.81Å; P232-E234 VanDerWaalsContact O-N 3.15Å; E234-W236 WeakPolarHBondContact O-CZ3 3.21Å
235F94.2Very high95Very high14 Ų1456.1 Ų56.16%0.06134%0.338CS..  trans-112.8124.5179.5174.5-101.8000111.3V71 S94 I95 P96 Y203 Q231 P232 S233V71-F235 HydrophobicContact CB-CE2 4.12Å; V71-F235 HydrophobicContact CG2-CD2 4.28Å; V71-F235 HydrophobicContact CG2-CE2 3.74Å; S94-F235 WeakPolarHBondContact O-CD2 3.22Å; I95-F235 HydrophobicContact CB-CE2 4.31Å; I95-F235 HydrophobicContact CG1-CE2 4.05Å; I95-F235 HydrophobicContact CG1-CZ 4.43Å; I95-F235 HydrophobicContact CG2-CE2 4.26Å; I95-F235 HydrophobicContact CG2-CZ 4.06Å; P96-F235 HydrophobicContact CG-CB 3.6Å; P96-F235 HydrophobicContact CG-CD1 4Å; P96-F235 HydrophobicContact CG-CD2 4.11Å; P96-F235 HydrophobicContact CG-CG 3.61Å; Y203-F235 HydrophobicContact CE1-CD1 4.21Å; Y203-F235 HydrophobicContact CE1-CE1 4.11Å; Y203-F235 WeakPolarHBondContact OH-CE1 3.22Å; Q231-F235 HydrophobicContact CG-CD1 4.04Å; Q231-F235 PolarHBondContact NE2-O 3Å; P232-F235 HydrophobicContact CB-CB 4.48Å; P232-F235 PolarHBondContact O-N 3.06Å; P232-F235 VanDerWaalsContact O-O 3.14Å; S233-F235 VanDerWaalsContact C-N 3.3Å
236W93.9Very high95.2Very high98 Ų9862.2 Ų62.237%0.37137%0.368SS..  trans-149.6151.6165.165.3105.1000109.6N68 P69 P70 E234N68-W236 WeakPolarHBondContact O-CZ2 3.21Å; P69-W236 VanDerWaalsContact CA-CE2 3.49Å; P69-W236 VanDerWaalsContact CA-NE1 3.26Å; P69-W236 HydrophobicContact CB-CG 4.48Å; P70-W236 WeakPolarHBondContact CD-O 3.41Å; P70-W236 HydrophobicContact CG-CD2 4.37Å; P70-W236 HydrophobicContact CG-CE3 4.15Å; P70-W236 HydrophobicContact CG-CZ3 4.31Å; E234-W236 WeakPolarHBondContact O-CZ3 3.21Å
237C94.3Very high95.4Very high56 Ų5663.1 Ų63.138%0.37837%0.373SS..EExtended strand (participates in β ladder)trans-106.8122.6178.9-160.80000110V71 Y73V71-C237 WeakPolarHBondContact O-CA 3.39Å; Y73-C237 VanDerWaalsContact CB-SG 3.57Å
238G95.1Very high95.4Very high17 Ų1768.6 Ų68.618%0.17540%0.397CS..EExtended strand (participates in β ladder)trans-96.3141.6173.900000112.1V71 T72 Y73V71-G238 PolarHBondContact O-N 3.41Å; T72-G238 CarbonylContact C-O 3.52Å; T72-G238 WeakPolarHBondContact CA-O 3.39Å; T72-G238 WeakPolarHBondContact CB-O 3.38Å; Y73-G238 PolarHBondContact N-O 2.99Å
239G95.6Very high94.9Very high74 Ų7470.7 Ų70.776%0.76341%0.408SS*.EExtended strand (participates in β ladder)trans-77.8144.9174.100000112.6
240E94.6Very high94.8Very high37 Ų3772.1 Ų72.117%0.17342%0.416CS..  trans-146.6154.3170.171.2-171-178.500112R56 T72 Y73 M74R56-E240 IonicContact CZ-OE1 2.65Å; R56-E240 IonicContact CZ-OE2 2.69Å; R56-E240 IonicContact NH1-OE2 3.73Å; R56-E240 PolarHBondContact NH1-OE2 3.39Å; R56-E240 IonicContact NH2-OE1 2.64Å; R56-E240 PolarHBondContact NH2-OE1 2.84Å; R56-E240 IonicContact NH2-OE2 3.96Å; R56-E240 PolarHBondContact NH2-OE2 2.91Å; T72-E240 WeakPolarHBondContact CB-OE1 3.43Å; T72-E240 PolarHBondContact OG1-OE1 2.98Å; T72-E240 PolarHBondContact OG1-OE2 3.03Å; Y73-E240 PolarHBondContact O-N 3.26Å; M74-E240 WeakPolarHBondContact CA-O 3.28Å; M74-E240 HydrophobicContact CE-CG 3.91Å; M74-E240 WeakPolarHBondContact CE-OE1 3.39Å; M74-E240 HydrophobicContact CG-CG 3.51Å
241P96.9Very high94.8Very high120 Ų12070.1 Ų70.178%0.77940%0.397SS*.  trans-70.9138.7-173.527.6-34.4000112.3P243P241-P243 WeakPolarHBondContact O-CD 3.33Å
242Y97.8Very high94.7Very high42 Ų4268.6 Ų68.617%0.16539%0.394CS..  trans-77.5121.9173.5173.9-120.6000111.3L51 H75 I76 G244 P245L51-Y242 HydrophobicContact CB-CE2 4.05Å; L51-Y242 HydrophobicContact CD2-CE2 3.89Å; L51-Y242 WeakPolarHBondContact CD2-OH 3.45Å; H75-Y242 WeakPolarHBondContact O-CB 3.43Å; I76-Y242 HydrophobicContact CD1-CD2 4.35Å; I76-Y242 HydrophobicContact CD1-CE2 3.97Å; I76-Y242 HydrophobicContact CG1-CD1 4.05Å; I76-Y242 HydrophobicContact CG1-CD2 3.83Å; I76-Y242 HydrophobicContact CG1-CE1 4.06Å; I76-Y242 HydrophobicContact CG1-CE2 3.86Å; I76-Y242 HydrophobicContact CG1-CG 3.93Å; I76-Y242 HydrophobicContact CG2-CD1 4.35Å; I76-Y242 HydrophobicContact CG2-CE1 3.99Å; Y242-G244 VanDerWaalsContact CZ-CA 3.41Å; Y242-P245 WeakPolarHBondContact CE1-O 3.39Å
243P97.6Very high94.7Very high63 Ų6371 Ų7141%0.40941%0.407SS..  trans-89.3-9-175.434.9-36000114.4K52 I53 P241K52-P243 HydrophobicContact CB-CG 4.43Å; K52-P243 WeakPolarHBondContact CD-O 3.44Å; K52-P243 WeakPolarHBondContact O-CG 3.44Å; I53-P243 HydrophobicContact CG2-CG 3.98Å; P241-P243 WeakPolarHBondContact O-CD 3.33Å
244G97.4Very high94.8Very high13 Ų1368.3 Ų68.313%0.13438%0.383CS..SBendtrans-77.7-171.6-171.600000114.6L51 Y242L51-G244 VanDerWaalsContact O-CA 3.26Å; L51-G244 WeakPolarHBondContact O-CA 3.41Å; L51-G244 PolarHBondContact O-N 2.85Å; Y242-G244 VanDerWaalsContact CZ-CA 3.41Å
245P97.4Very high95.1Very high37 Ų3764.1 Ų64.124%0.2437%0.367CS..  trans-62.3136.2176.5-20.132.7000112.3D50 Y242D50-P245 WeakPolarHBondContact O-CD 3.5Å; Y242-P245 WeakPolarHBondContact CE1-O 3.39Å
246E96.2Very high95.2Very high143 Ų14367.6 Ų67.667%0.66839%0.389SS*.  trans-57.4140.9173.9-168.3-169.9178.600111.4K248E246-K248 VanDerWaalsContact OE1-CE 3.3Å; E246-K248 WeakPolarHBondContact OE1-CE 3.44Å; E246-K248 IonicContact OE1-NZ 3.92Å; E246-K248 WeakPolarHBondContact OE2-CE 3.46Å; E246-K248 IonicContact OE2-NZ 3.45Å; E246-K248 PolarHBondContact OE2-NZ 3.05Å
247V96.8Very high95.3Very high19 Ų1965.3 Ų65.312%0.11539%0.39CS..  trans-109.3131.5175.5176.30000109.4V10 A14 I76 C77 M84 I249V10-V247 HydrophobicContact CB-CG2 4.3Å; V10-V247 HydrophobicContact CG1-CG2 3.62Å; A14-V247 HydrophobicContact CB-CG1 3.48Å; A14-V247 VanDerWaalsContact CB-CG1 3.48Å; I76-V247 HydrophobicContact CG2-CB 4.19Å; I76-V247 HydrophobicContact CG2-CG2 3.55Å; C77-V247 HydrophobicContact CB-CB 4.38Å; C77-V247 HydrophobicContact CB-CG1 4.16Å; M84-V247 HydrophobicContact CE-CG2 4.4Å; V247-I249 HydrophobicContact CG1-CD1 3.65Å; V247-I249 HydrophobicContact CG1-CG1 4.25Å
248K93.8Very high95.4Very high125 Ų12566.1 Ų66.154%0.54339%0.391SS..  trans-119.1117.2176.5-59.5-174.4-178.2-174.30109.1Q11 E246Q11-K248 PolarHBondContact NE2-O 3.46Å; Q11-K248 PolarHBondContact OE1-O 3.38Å; E246-K248 VanDerWaalsContact OE1-CE 3.3Å; E246-K248 WeakPolarHBondContact OE1-CE 3.44Å; E246-K248 IonicContact OE1-NZ 3.92Å; E246-K248 WeakPolarHBondContact OE2-CE 3.46Å; E246-K248 IonicContact OE2-NZ 3.45Å; E246-K248 PolarHBondContact OE2-NZ 3.05Å
249I85.4Confident95.4Very high103 Ų10370.5 Ų70.553%0.52841%0.411SS..  trans-93.50179.1-53.7-59.5000110.2A14 L18 C77 T79 F82 V247A14-I249 HydrophobicContact CB-CD1 3.45Å; A14-I249 VanDerWaalsContact CB-CD1 3.45Å; L18-I249 HydrophobicContact CD2-CG2 3.73Å; C77-I249 HydrophobicContact CB-CG1 4.35Å; T79-I249 HydrophobicContact CG2-CB 4.11Å; T79-I249 HydrophobicContact CG2-CG1 4.15Å; T79-I249 HydrophobicContact CG2-CG2 3.63Å; F82-I249 HydrophobicContact CZ-CD1 3.99Å; V247-I249 HydrophobicContact CG1-CD1 3.65Å; V247-I249 HydrophobicContact CG1-CG1 4.25Å

Retrieved 249 of 249 residues in 92.1 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).