G4V6W4_SCHMA Loading...

Putative serpin

AlphaFold DB , UniProt , Accession G4V6W4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 388 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
1M34.8Very low65.9Low208 Ų20894.5 Ų94.5100%1.02552%0.521SS*.  098.60-134.5169.9-167.800106.3F3M1-F3 HydrophobicContact CB-CD2 4.24Å; M1-F3 HydrophobicContact CB-CE2 3.77Å; M1-F3 HydrophobicContact CB-CZ 4.36Å; M1-F3 HydrophobicContact CG-CE2 4.04Å; M1-F3 HydrophobicContact CG-CZ 4.11Å; M1-F3 WeakPolarHBondContact O-CD2 3.09Å; M1-F3 PolarHBondContact O-N 2.7Å; M1-F3 HydrophobicContact SD-CE2 3.97Å; M1-F3 HydrophobicContact SD-CZ 3.77Å
2G37.2Very low68.1Low78 Ų7887.5 Ų87.580%0.80448%0.483SS*.  trans-73.787.5-175.200000110.3T4G2-T4 VanDerWaalsContact C-N 3.35Å; G2-T4 PolarHBondContact O-N 2.73Å; G2-T4 VanDerWaalsContact O-N 3.09Å
3F41.8Very low70.2Confident148 Ų14880.8 Ų80.865%0.64945%0.446SS*.  trans-7890.5171.7-69.6-74.4000108M1 T5M1-F3 HydrophobicContact CB-CD2 4.24Å; M1-F3 HydrophobicContact CB-CE2 3.77Å; M1-F3 HydrophobicContact CB-CZ 4.36Å; M1-F3 HydrophobicContact CG-CE2 4.04Å; M1-F3 HydrophobicContact CG-CZ 4.11Å; M1-F3 WeakPolarHBondContact O-CD2 3.09Å; M1-F3 PolarHBondContact O-N 2.7Å; M1-F3 HydrophobicContact SD-CE2 3.97Å; M1-F3 HydrophobicContact SD-CZ 3.77Å; F3-T5 HydrophobicContact CB-CG2 4.33Å; F3-T5 PolarHBondContact O-N 3.49Å
4T42.4Very low72Confident143 Ų14375.4 Ų75.488%0.87742%0.417SS*.  trans-68.864.9163.757.10000109G2G2-T4 VanDerWaalsContact C-N 3.35Å; G2-T4 PolarHBondContact O-N 2.73Å; G2-T4 VanDerWaalsContact O-N 3.09Å
5T51.5Low73.5Confident67 Ų6774.7 Ų74.741%0.41141%0.406SS..  trans-84.9145.8164.8530000107.5F3 E7F3-T5 HydrophobicContact CB-CG2 4.33Å; F3-T5 PolarHBondContact O-N 3.49Å; T5-E7 PolarHBondContact O-N 2.77Å; T5-E7 WeakPolarHBondContact OG1-CB 3.41Å
6N68.7Low74.8Confident178 Ų17873.9 Ų73.995%0.95240%0.401SS*.SBendtrans-62.928.6169-73.9-21.6000112.9
7E82.2Confident76.1Confident38 Ų3869.5 Ų69.518%0.17838%0.377CS..  trans-77.2129.2176.1-176.6157.5-138.700108.5T5 N11 V12 R15 K257T5-E7 PolarHBondContact O-N 2.77Å; T5-E7 WeakPolarHBondContact OG1-CB 3.41Å; E7-N11 HydrophobicContact CG-CB 3.69Å; E7-V12 HydrophobicContact CB-CG2 4.4Å; E7-V12 HydrophobicContact CG-CG2 4.03Å; E7-R15 IonicContact OE1-NH1 3.11Å; E7-R15 IonicContact OE2-NH1 3.17Å; E7-R15 PolarHBondContact OE2-NH1 3.13Å; E7-K257 IonicContact OE2-NZ 2.76Å; E7-K257 PolarHBondContact OE2-NZ 2.69Å
8P88.8Confident77.2Confident49 Ų4966.2 Ų66.232%0.31836%0.359SS..  trans-61141.6175.9-23.333.4000111.5Y10 N11 V12P8-Y10 HydrophobicContact CB-CD1 3.79Å; P8-Y10 HydrophobicContact CB-CD2 4.24Å; P8-Y10 HydrophobicContact CB-CE1 3.29Å; P8-Y10 HydrophobicContact CB-CE2 3.76Å; P8-Y10 HydrophobicContact CB-CG 4.24Å; P8-Y10 HydrophobicContact CG-CE1 4.15Å; P8-Y10 HydrophobicContact CG-CE2 4.21Å; P8-Y10 WeakPolarHBondContact CG-OH 3.14Å; P8-Y10 PolarHBondContact O-N 2.96Å; P8-Y10 VanDerWaalsContact O-N 3.12Å; P8-N11 WeakPolarHBondContact O-CA 2.87Å; P8-N11 WeakPolarHBondContact O-CB 2.98Å; P8-N11 PolarHBondContact O-N 3.49Å; P8-V12 PolarHBondContact O-N 2.73Å
9R91.1Very high78.2Confident84 Ų8465.9 Ų65.932%0.31736%0.357SS..Hα-helixtrans-52.5-37.2-177.7-59.3175.3-167.2-77.22.2114.1N11 V12 F13 E61 L62 D64R9-N11 PolarHBondContact O-N 2.97Å; R9-V12 PolarHBondContact O-N 3.49Å; R9-F13 WeakPolarHBondContact O-CB 3.47Å; R9-F13 PolarHBondContact O-N 3.46Å; R9-E61 WeakPolarHBondContact CA-OE2 3.26Å; R9-E61 HydrophobicContact CB-CB 4.2Å; R9-E61 WeakPolarHBondContact CD-O 3.23Å; R9-E61 HydrophobicContact CG-CB 4.08Å; R9-E61 PolarHBondContact NE-O 3.49Å; R9-E61 PolarHBondContact NH1-O 2.91Å; R9-L62 VanDerWaalsContact CD-CD2 3.5Å; R9-D64 IonicContact CZ-OD2 3.85Å; R9-D64 IonicContact NH1-OD2 2.69Å; R9-D64 PolarHBondContact NH1-OD2 3.03Å; R9-D64 IonicContact NH2-OD2 2.77Å; R9-D64 PolarHBondContact NH2-OD2 3.06Å
10Y92.8Very high79.1Confident32 Ų3264.7 Ų64.713%0.12535%0.35CS..Hα-helixtrans-65.5-24.2176.757.6-103.3000113.5P8 A14 I33 L79 L369 T371P8-Y10 HydrophobicContact CB-CD1 3.79Å; P8-Y10 HydrophobicContact CB-CD2 4.24Å; P8-Y10 HydrophobicContact CB-CE1 3.29Å; P8-Y10 HydrophobicContact CB-CE2 3.76Å; P8-Y10 HydrophobicContact CB-CG 4.24Å; P8-Y10 HydrophobicContact CG-CE1 4.15Å; P8-Y10 HydrophobicContact CG-CE2 4.21Å; P8-Y10 WeakPolarHBondContact CG-OH 3.14Å; P8-Y10 PolarHBondContact O-N 2.96Å; P8-Y10 VanDerWaalsContact O-N 3.12Å; Y10-A14 WeakPolarHBondContact O-CB 3.33Å; Y10-A14 PolarHBondContact O-N 2.87Å; Y10-I33 HydrophobicContact CD2-CD1 4Å; Y10-I33 HydrophobicContact CG-CD1 3.89Å; Y10-L79 HydrophobicContact CD1-CD1 3.94Å; Y10-L79 HydrophobicContact CD1-CD2 4.01Å; Y10-L79 HydrophobicContact CE1-CD2 3.9Å; Y10-L79 HydrophobicContact CG-CD1 4.46Å; Y10-L369 WeakPolarHBondContact CE2-O 3.43Å; Y10-L369 PolarHBondContact OH-O 3.45Å; Y10-T371 HydrophobicContact CD2-CG2 4.39Å; Y10-T371 HydrophobicContact CE2-CG2 4.16Å
11N93.1Very high79.9Confident14 Ų1462.4 Ų62.48%0.07534%0.339CS..Hα-helixtrans-81-34.3174.3-80.7-9.5000112E7 P8 R9 A14 R15 K370 T371E7-N11 HydrophobicContact CG-CB 3.69Å; P8-N11 WeakPolarHBondContact O-CA 2.87Å; P8-N11 WeakPolarHBondContact O-CB 2.98Å; P8-N11 PolarHBondContact O-N 3.49Å; R9-N11 PolarHBondContact O-N 2.97Å; N11-A14 PolarHBondContact O-N 2.95Å; N11-R15 PolarHBondContact O-N 3.03Å; N11-R15 VanDerWaalsContact O-N 3.1Å; N11-K370 PolarHBondContact ND2-O 2.78Å; N11-T371 WeakPolarHBondContact OD1-CB 3.46Å; N11-T371 PolarHBondContact OD1-OG1 2.79Å
12V93.4Very high82.7Confident11 Ų1152.5 Ų52.57%0.06729%0.29CS..Hα-helixtrans-65.3-51.2171.6-177.90000109.8E7 P8 R9 A14 R15 D16 E61E7-V12 HydrophobicContact CB-CG2 4.4Å; E7-V12 HydrophobicContact CG-CG2 4.03Å; P8-V12 PolarHBondContact O-N 2.73Å; R9-V12 PolarHBondContact O-N 3.49Å; V12-A14 VanDerWaalsContact C-N 3.25Å; V12-A14 PolarHBondContact O-N 2.78Å; V12-R15 VanDerWaalsContact CG1-NH2 3.31Å; V12-R15 WeakPolarHBondContact O-CB 3.45Å; V12-R15 PolarHBondContact O-N 3.03Å; V12-R15 VanDerWaalsContact O-N 3.08Å; V12-D16 PolarHBondContact O-N 3.29Å; V12-E61 VanDerWaalsContact CB-CD 3.45Å; V12-E61 WeakPolarHBondContact CB-OE1 3.39Å; V12-E61 WeakPolarHBondContact CB-OE2 3.46Å; V12-E61 VanDerWaalsContact CG1-CD 3.45Å; V12-E61 HydrophobicContact CG1-CG 4.4Å; V12-E61 WeakPolarHBondContact CG1-OE1 3.46Å; V12-E61 WeakPolarHBondContact CG2-OE2 3.48Å
13F95.1Very high85.1Confident0 Ų053.1 Ų53.10%028%0.278CS..Hα-helixtrans-53.1-43.8173.5176.9-92.9000112.2R9 R15 D16 L17 V35 F36 L39 A59 L60 M292R9-F13 WeakPolarHBondContact O-CB 3.47Å; R9-F13 PolarHBondContact O-N 3.46Å; F13-R15 VanDerWaalsContact C-N 3.34Å; F13-R15 PolarHBondContact O-N 3.43Å; F13-D16 PolarHBondContact O-N 3.01Å; F13-L17 HydrophobicContact CE1-CB 4.29Å; F13-L17 HydrophobicContact CE1-CD2 4.08Å; F13-L17 HydrophobicContact CZ-CD1 4.36Å; F13-L17 VanDerWaalsContact O-CB 3.28Å; F13-L17 WeakPolarHBondContact O-CB 3.38Å; F13-L17 PolarHBondContact O-N 3.23Å; F13-V35 HydrophobicContact CE1-CB 4.12Å; F13-V35 HydrophobicContact CE1-CG1 4.1Å; F13-V35 HydrophobicContact CZ-CB 4.37Å; F13-V35 HydrophobicContact CZ-CG1 3.84Å; F13-F36 HydrophobicContact CB-CD2 3.72Å; F13-F36 HydrophobicContact CB-CE2 4.21Å; F13-F36 HydrophobicContact CD1-CB 3.67Å; F13-F36 AromaticContact CD1-CD2 3.78Å; F13-F36 HydrophobicContact CD1-CD2 3.78Å; F13-F36 HydrophobicContact CD1-CG 4.22Å; F13-F36 HydrophobicContact CD2-CD2 4.34Å; F13-F36 HydrophobicContact CE1-CB 3.85Å; F13-F36 HydrophobicContact CG-CB 4.42Å; F13-F36 AromaticContact CG-CD2 3.67Å; F13-F36 HydrophobicContact CG-CD2 3.67Å; F13-L39 HydrophobicContact CE2-CD1 3.7Å; F13-L39 HydrophobicContact CZ-CD1 3.76Å; F13-A59 WeakPolarHBondContact CD2-O 3.3Å; F13-L60 HydrophobicContact CD2-CD2 4.15Å; F13-L60 HydrophobicContact CE2-CD2 4.29Å; F13-M292 HydrophobicContact CD2-CE 3.64Å; F13-M292 HydrophobicContact CE2-CE 3.5Å; F13-M292 HydrophobicContact CE2-SD 4.27Å; F13-M292 HydrophobicContact CZ-CE 4.3Å
14A95.2Very high87.4Confident5 Ų548.5 Ų48.54%0.04127%0.273CS..Hα-helixtrans-61.9-41.118000000112.6Y10 N11 V12 L18 P32Y10-A14 WeakPolarHBondContact O-CB 3.33Å; Y10-A14 PolarHBondContact O-N 2.87Å; N11-A14 PolarHBondContact O-N 2.95Å; V12-A14 VanDerWaalsContact C-N 3.25Å; V12-A14 PolarHBondContact O-N 2.78Å; A14-L18 WeakPolarHBondContact O-CB 3.28Å; A14-L18 WeakPolarHBondContact O-CD1 3.29Å; A14-L18 WeakPolarHBondContact O-CG 3.5Å; A14-L18 PolarHBondContact O-N 3.31Å; A14-P32 HydrophobicContact CB-CB 3.52Å; A14-P32 HydrophobicContact CB-CG 4.24Å
15R94.5Very high89.6Confident65 Ų6546.9 Ų46.925%0.24526%0.263CS..Hα-helixtrans-63.8-49.1176.2173.5176.866.9-122.1-1.9110.9E7 N11 V12 F13 L17 L18 D19 G254E7-R15 IonicContact OE1-NH1 3.11Å; E7-R15 IonicContact OE2-NH1 3.17Å; E7-R15 PolarHBondContact OE2-NH1 3.13Å; N11-R15 PolarHBondContact O-N 3.03Å; N11-R15 VanDerWaalsContact O-N 3.1Å; V12-R15 VanDerWaalsContact CG1-NH2 3.31Å; V12-R15 WeakPolarHBondContact O-CB 3.45Å; V12-R15 PolarHBondContact O-N 3.03Å; V12-R15 VanDerWaalsContact O-N 3.08Å; F13-R15 VanDerWaalsContact C-N 3.34Å; F13-R15 PolarHBondContact O-N 3.43Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 3.16Å; R15-L18 PolarHBondContact O-N 2.99Å; R15-D19 WeakPolarHBondContact O-CB 3.49Å; R15-D19 PolarHBondContact O-N 2.94Å; R15-G254 WeakPolarHBondContact CD-O 3.35Å
16D95Very high91.6Very high62 Ų6249.1 Ų49.133%0.33227%0.272SS..Hα-helixtrans-65.7-40-176.2-61.1-7.6000110.8V12 F13 I20 M292V12-D16 PolarHBondContact O-N 3.29Å; F13-D16 PolarHBondContact O-N 3.01Å; D16-I20 WeakPolarHBondContact O-CD1 2.79Å; D16-I20 WeakPolarHBondContact O-CG1 3.4Å; D16-I20 PolarHBondContact O-N 3.11Å; D16-M292 HydrophobicContact CB-CE 3.96Å
17L96.5Very high92.8Very high0 Ų042.7 Ų42.70%024%0.238CC..Hα-helixtrans-59.8-48.3172.6-175.676.3000111.4F13 R15 I20 S21 P32 V35 L285 T288 L289 M292F13-L17 HydrophobicContact CE1-CB 4.29Å; F13-L17 HydrophobicContact CE1-CD2 4.08Å; F13-L17 HydrophobicContact CZ-CD1 4.36Å; F13-L17 VanDerWaalsContact O-CB 3.28Å; F13-L17 WeakPolarHBondContact O-CB 3.38Å; F13-L17 PolarHBondContact O-N 3.23Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 3.16Å; L17-I20 PolarHBondContact O-N 2.82Å; L17-S21 VanDerWaalsContact O-CB 3.31Å; L17-S21 WeakPolarHBondContact O-CB 3.5Å; L17-S21 PolarHBondContact O-N 2.77Å; L17-S21 PolarHBondContact O-OG 2.94Å; L17-P32 HydrophobicContact CD2-CB 3.77Å; L17-P32 HydrophobicContact CD2-CG 4.23Å; L17-V35 HydrophobicContact CD1-CG1 4.43Å; L17-V35 HydrophobicContact CD2-CB 4.05Å; L17-V35 HydrophobicContact CD2-CG1 4.31Å; L17-V35 HydrophobicContact CD2-CG2 4.07Å; L17-L285 HydrophobicContact CD1-CD2 4.42Å; L17-T288 HydrophobicContact CD1-CG2 3.63Å; L17-L289 HydrophobicContact CD1-CD2 4.24Å; L17-M292 HydrophobicContact CB-CE 4.49Å; L17-M292 HydrophobicContact CB-SD 4.23Å; L17-M292 HydrophobicContact CD1-SD 3.85Å
18L96.2Very high93.4Very high9 Ų941.1 Ų41.15%0.04723%0.231CC..Hα-helixtrans-69.6-38-177-72.5170.5000112.3A14 R15 I20 A22 Y28 P32 L252 A375A14-L18 WeakPolarHBondContact O-CB 3.28Å; A14-L18 WeakPolarHBondContact O-CD1 3.29Å; A14-L18 WeakPolarHBondContact O-CG 3.5Å; A14-L18 PolarHBondContact O-N 3.31Å; R15-L18 PolarHBondContact O-N 2.99Å; L18-I20 PolarHBondContact O-N 3.32Å; L18-A22 WeakPolarHBondContact O-CA 3.34Å; L18-A22 WeakPolarHBondContact O-CB 3.36Å; L18-A22 PolarHBondContact O-N 3.32Å; L18-Y28 HydrophobicContact CD2-CE1 3.74Å; L18-P32 HydrophobicContact CD1-CG 3.91Å; L18-P32 HydrophobicContact CD2-CG 3.88Å; L18-P32 HydrophobicContact CG-CG 3.77Å; L18-L252 VanDerWaalsContact CB-O 3.29Å; L18-L252 WeakPolarHBondContact CB-O 3.4Å; L18-L252 WeakPolarHBondContact CD1-O 3.17Å; L18-L252 HydrophobicContact CD2-CD1 4.11Å; L18-A375 HydrophobicContact CD1-CB 3.91Å; L18-A375 HydrophobicContact CD2-CB 3.88Å
19D95.6Very high93.7Very high61 Ų6138.8 Ų38.833%0.32622%0.215SC..Hα-helixtrans-57.5-41176.4-175.739.5000111.6R15 T23 R253R15-D19 WeakPolarHBondContact O-CB 3.49Å; R15-D19 PolarHBondContact O-N 2.94Å; D19-T23 WeakPolarHBondContact O-CG2 3.49Å; D19-R253 IonicContact OD1-CZ 3.94Å; D19-R253 IonicContact OD1-NE 2.94Å; D19-R253 PolarHBondContact OD1-NE 3.16Å; D19-R253 IonicContact OD1-NH2 2.66Å; D19-R253 PolarHBondContact OD1-NH2 3.39Å
20I95.7Very high93.9Very high42 Ų4234.8 Ų34.822%0.21520%0.2CC..Hα-helixtrans-82.2-47.6-178.9-63.3166.9000112D16 L17 L18 T23 T288 N291 M292D16-I20 WeakPolarHBondContact O-CD1 2.79Å; D16-I20 WeakPolarHBondContact O-CG1 3.4Å; D16-I20 PolarHBondContact O-N 3.11Å; L17-I20 PolarHBondContact O-N 2.82Å; L18-I20 PolarHBondContact O-N 3.32Å; I20-T23 VanDerWaalsContact O-CG2 3.28Å; I20-T23 WeakPolarHBondContact O-CG2 3.35Å; I20-T23 PolarHBondContact O-OG1 2.98Å; I20-T288 HydrophobicContact CB-CG2 4.32Å; I20-T288 HydrophobicContact CG2-CG2 3.89Å; I20-N291 HydrophobicContact CD1-CB 4.23Å; I20-N291 HydrophobicContact CG2-CB 3.84Å; I20-M292 HydrophobicContact CD1-CG 3.41Å; I20-M292 VanDerWaalsContact CD1-CG 3.41Å
21S95.4Very high94.1Very high16 Ų1633.3 Ų33.311%0.11219%0.194CC..Hα-helixtrans-87.3-27-170.461.40000114.2L17 T23 Y28L17-S21 VanDerWaalsContact O-CB 3.31Å; L17-S21 WeakPolarHBondContact O-CB 3.5Å; L17-S21 PolarHBondContact O-N 2.77Å; L17-S21 PolarHBondContact O-OG 2.94Å; S21-T23 PolarHBondContact O-N 3.18Å; S21-Y28 VanDerWaalsContact C-CE2 3.44Å; S21-Y28 WeakPolarHBondContact O-CD2 3.38Å; S21-Y28 WeakPolarHBondContact O-CE2 3.44Å; S21-Y28 PolarHBondContact OG-OH 2.69Å
22A94.8Very high94.2Very high0 Ų032.6 Ų32.60%019%0.191CC..THydrogen-bonded Turntrans-84.114.217800000112.3L18 Y28 L252 R377L18-A22 WeakPolarHBondContact O-CA 3.34Å; L18-A22 WeakPolarHBondContact O-CB 3.36Å; L18-A22 PolarHBondContact O-N 3.32Å; A22-Y28 HydrophobicContact CB-CD1 3.78Å; A22-Y28 HydrophobicContact CB-CD2 4.22Å; A22-Y28 HydrophobicContact CB-CE1 3.69Å; A22-Y28 HydrophobicContact CB-CE2 4.11Å; A22-Y28 HydrophobicContact CB-CG 4.06Å; A22-L252 HydrophobicContact CB-CD2 3.96Å; A22-L252 HydrophobicContact CB-CG 3.99Å; A22-R377 VanDerWaalsContact O-CZ 3.29Å; A22-R377 PolarHBondContact O-NH1 3.43Å; A22-R377 PolarHBondContact O-NH2 3.49Å
23T88.4Confident94.3Very high91 Ų9132.1 Ų32.156%0.55819%0.188SC*.  trans-61.6152.1177.157.40000112.2D19 I20 S21D19-T23 WeakPolarHBondContact O-CG2 3.49Å; I20-T23 VanDerWaalsContact O-CG2 3.28Å; I20-T23 WeakPolarHBondContact O-CG2 3.35Å; I20-T23 PolarHBondContact O-OG1 2.98Å; S21-T23 PolarHBondContact O-N 3.18Å
24G88.3Confident94.2Very high52 Ų5232.1 Ų32.154%0.53619%0.188SC..SBendtrans96.2-172178.500000115R377G24-R377 PolarHBondContact O-NH1 2.96Å
25T88.6Confident94.3Very high108 Ų10831.9 Ų31.966%0.66319%0.186SC*.SBendtrans-121.69.4-168.555.50000113.9I379T25-I379 WeakPolarHBondContact O-CD1 3.39Å; T25-I379 WeakPolarHBondContact O-CG1 3.44Å
26N93.4Very high94.4Very high115 Ų11528.8 Ų28.862%0.61517%0.174SC*.SBendtrans-95.2170.8178.1-66-40.3000111.6Y28 R377 I379N26-Y28 PolarHBondContact O-N 3.12Å; N26-R377 WeakPolarHBondContact O-CD 3.41Å; N26-R377 PolarHBondContact O-NH1 3.28Å; N26-I379 VanDerWaalsContact C-CG1 3.43Å
27D94.7Very high94.4Very high42 Ų4225.9 Ų25.923%0.22516%0.158CC..  trans-51.7140.2170.5-65.6-58.7000110.6L279 F281 R377 I379 K380D27-L279 HydrophobicContact CB-CD1 4.26Å; D27-F281 WeakPolarHBondContact O-CE2 3.47Å; D27-F281 WeakPolarHBondContact O-CZ 3.41Å; D27-R377 WeakPolarHBondContact CA-O 3.35Å; D27-I379 WeakPolarHBondContact OD1-CA 3.37Å; D27-I379 WeakPolarHBondContact OD1-CB 3.45Å; D27-I379 PolarHBondContact OD1-N 2.87Å; D27-K380 PolarHBondContact OD1-N 3.44Å; D27-K380 VanDerWaalsContact OD1-N 3.08Å
28Y95.7Very high94.4Very high6 Ų625.9 Ų25.92%0.02416%0.159CC..EExtended strand (participates in β ladder)trans-145.2139.5178.1174.3-87.9000109.3L18 S21 A22 N26 S30 L252 F281 I283 G376 R377L18-Y28 HydrophobicContact CD2-CE1 3.74Å; S21-Y28 VanDerWaalsContact C-CE2 3.44Å; S21-Y28 WeakPolarHBondContact O-CD2 3.38Å; S21-Y28 WeakPolarHBondContact O-CE2 3.44Å; S21-Y28 PolarHBondContact OG-OH 2.69Å; A22-Y28 HydrophobicContact CB-CD1 3.78Å; A22-Y28 HydrophobicContact CB-CD2 4.22Å; A22-Y28 HydrophobicContact CB-CE1 3.69Å; A22-Y28 HydrophobicContact CB-CE2 4.11Å; A22-Y28 HydrophobicContact CB-CG 4.06Å; N26-Y28 PolarHBondContact O-N 3.12Å; Y28-S30 WeakPolarHBondContact CE1-OG 3.26Å; Y28-S30 WeakPolarHBondContact OH-CB 3.11Å; Y28-S30 PolarHBondContact OH-OG 2.96Å; Y28-L252 HydrophobicContact CD1-CD2 4.3Å; Y28-F281 AromaticContact CD2-CE1 3.91Å; Y28-F281 HydrophobicContact CD2-CE1 3.91Å; Y28-F281 HydrophobicContact CD2-CZ 4.4Å; Y28-F281 HydrophobicContact CG-CE1 4.42Å; Y28-I283 HydrophobicContact CE2-CD1 4.26Å; Y28-G376 CarbonylContact O-C 3.59Å; Y28-G376 WeakPolarHBondContact O-CA 3.47Å; Y28-R377 PolarHBondContact N-O 3.11Å; Y28-R377 PolarHBondContact O-N 3.48Å
29L94.6Very high94.4Very high0 Ų025.5 Ų25.50%016%0.157CC..EExtended strand (participates in β ladder)trans-149.3130.8171.9-174.169.6000109.8L279 F281 V322 L324 F374 A375L29-L279 HydrophobicContact CB-CD2 3.82Å; L29-L279 HydrophobicContact CB-CG 4.48Å; L29-L279 HydrophobicContact CD2-CD2 4.28Å; L29-L279 HydrophobicContact CD2-CG 4.37Å; L29-F281 HydrophobicContact CB-CB 3.78Å; L29-F281 HydrophobicContact CB-CD1 4.4Å; L29-F281 HydrophobicContact CB-CG 4.15Å; L29-F281 WeakPolarHBondContact O-CD1 3.36Å; L29-V322 HydrophobicContact CB-CG2 4.13Å; L29-V322 HydrophobicContact CD2-CB 4.31Å; L29-V322 HydrophobicContact CD2-CG2 3.88Å; L29-V322 HydrophobicContact CG-CB 4.48Å; L29-V322 HydrophobicContact CG-CG2 3.7Å; L29-V322 VanDerWaalsContact O-CG2 3.28Å; L29-V322 WeakPolarHBondContact O-CG2 3.46Å; L29-L324 HydrophobicContact CD2-CB 3.79Å; L29-F374 HydrophobicContact CD1-CB 4.25Å; L29-F374 HydrophobicContact CD1-CD1 4.13Å; L29-F374 HydrophobicContact CD2-CD1 4.29Å; L29-F374 HydrophobicContact CG-CD1 4.26Å; L29-A375 WeakPolarHBondContact CA-O 3.44Å
30S95.2Very high94.4Very high0 Ų022.6 Ų22.60%014%0.141CC..EExtended strand (participates in β ladder)trans-145.5167171.572.10000111.6Y28 F374 A375Y28-S30 WeakPolarHBondContact CE1-OG 3.26Å; Y28-S30 WeakPolarHBondContact OH-CB 3.11Å; Y28-S30 PolarHBondContact OH-OG 2.96Å; S30-F374 CarbonylContact O-C 3.55Å; S30-F374 WeakPolarHBondContact O-CA 3.49Å; S30-A375 PolarHBondContact N-O 2.94Å; S30-A375 PolarHBondContact O-N 2.9Å
31S95.9Very high94.4Very high0 Ų020.6 Ų20.60%013%0.131CC..  trans-118.690.3167.7-179.40000109.3I33 S34 V35 L171 H320 L373S31-I33 PolarHBondContact O-N 3.46Å; S31-S34 WeakPolarHBondContact O-CB 3.35Å; S31-S34 PolarHBondContact O-N 3.02Å; S31-S34 WeakPolarHBondContact OG-CB 3.38Å; S31-V35 PolarHBondContact O-N 2.8Å; S31-L171 VanDerWaalsContact OG-CD1 3.3Å; S31-L171 WeakPolarHBondContact OG-CD1 3.12Å; S31-H320 PolarHBondContact N-NE2 3Å; S31-L373 WeakPolarHBondContact CA-O 3.46Å; S31-L373 WeakPolarHBondContact CB-O 3.49Å; S31-L373 PolarHBondContact OG-O 2.94Å
32P95.6Very high94.3Very high0 Ų020 Ų200%013%0.126CC..Hα-helixtrans-59-36.5-178-25.233.7000113.4A14 L17 L18 S34 V35 F36A14-P32 HydrophobicContact CB-CB 3.52Å; A14-P32 HydrophobicContact CB-CG 4.24Å; L17-P32 HydrophobicContact CD2-CB 3.77Å; L17-P32 HydrophobicContact CD2-CG 4.23Å; L18-P32 HydrophobicContact CD1-CG 3.91Å; L18-P32 HydrophobicContact CD2-CG 3.88Å; L18-P32 HydrophobicContact CG-CG 3.77Å; P32-S34 VanDerWaalsContact C-N 3.27Å; P32-S34 PolarHBondContact O-N 3.02Å; P32-V35 PolarHBondContact O-N 3.26Å; P32-F36 WeakPolarHBondContact O-CB 3.22Å; P32-F36 PolarHBondContact O-N 2.97Å
33I95Very high94.3Very high0 Ų020 Ų200%013%0.126CC..Hα-helixtrans-64.4-32.2177.2-16763000112.3Y10 S31 F36 L37 L79 L83 L171 L373Y10-I33 HydrophobicContact CD2-CD1 4Å; Y10-I33 HydrophobicContact CG-CD1 3.89Å; S31-I33 PolarHBondContact O-N 3.46Å; I33-F36 HydrophobicContact CD1-CD1 4.48Å; I33-F36 WeakPolarHBondContact O-CB 3.14Å; I33-L37 WeakPolarHBondContact O-CG 3.02Å; I33-L37 PolarHBondContact O-N 2.85Å; I33-L79 HydrophobicContact CD1-CD1 4.26Å; I33-L83 HydrophobicContact CG1-CD1 3.96Å; I33-L171 HydrophobicContact CG2-CD1 4.39Å; I33-L373 HydrophobicContact CG2-CD2 4.19Å
34S94.8Very high94.6Very high0 Ų015.7 Ų15.70%010%0.1CC..Hα-helixtrans-70.8-40.7176.2-163.80000111.6S31 P32 L37 L38 N169S31-S34 WeakPolarHBondContact O-CB 3.35Å; S31-S34 PolarHBondContact O-N 3.02Å; S31-S34 WeakPolarHBondContact OG-CB 3.38Å; P32-S34 VanDerWaalsContact C-N 3.27Å; P32-S34 PolarHBondContact O-N 3.02Å; S34-L37 WeakPolarHBondContact O-CB 3.47Å; S34-L37 PolarHBondContact O-N 3.09Å; S34-L38 PolarHBondContact O-N 2.76Å; S34-N169 VanDerWaalsContact CB-OD1 3.24Å; S34-N169 WeakPolarHBondContact CB-OD1 3.49Å; S34-N169 PolarHBondContact O-ND2 2.78Å; S34-N169 PolarHBondContact OG-ND2 2.82Å; S34-N169 PolarHBondContact OG-OD1 2.66Å
35V96.4Very high94.9Very high0 Ų013.4 Ų13.40%08%0.076CC..Hα-helixtrans-64.7-41.8174.4-176.80000110.8F13 L17 S31 P32 L37 L38 L39 L285 H320F13-V35 HydrophobicContact CE1-CB 4.12Å; F13-V35 HydrophobicContact CE1-CG1 4.1Å; F13-V35 HydrophobicContact CZ-CB 4.37Å; F13-V35 HydrophobicContact CZ-CG1 3.84Å; L17-V35 HydrophobicContact CD1-CG1 4.43Å; L17-V35 HydrophobicContact CD2-CB 4.05Å; L17-V35 HydrophobicContact CD2-CG1 4.31Å; L17-V35 HydrophobicContact CD2-CG2 4.07Å; S31-V35 PolarHBondContact O-N 2.8Å; P32-V35 PolarHBondContact O-N 3.26Å; V35-L37 VanDerWaalsContact C-N 3.29Å; V35-L37 PolarHBondContact O-N 2.65Å; V35-L38 WeakPolarHBondContact O-CB 3.4Å; V35-L38 PolarHBondContact O-N 3.44Å; V35-L38 VanDerWaalsContact O-N 3.17Å; V35-L39 PolarHBondContact O-N 3.17Å; V35-L285 HydrophobicContact CB-CD1 4.33Å; V35-L285 HydrophobicContact CG1-CD1 3.66Å; V35-L285 HydrophobicContact CG2-CD1 3.64Å; V35-H320 HydrophobicContact CG2-CB 4.25Å
36F96.5Very high95.1Very high1 Ų18.6 Ų8.60%0.0045%0.047CC..Hα-helixtrans-56.4-43.8172.1-177.3-90.8000111.4F13 P32 I33 L39 T40 L60 T75 L79F13-F36 HydrophobicContact CB-CD2 3.72Å; F13-F36 HydrophobicContact CB-CE2 4.21Å; F13-F36 HydrophobicContact CD1-CB 3.67Å; F13-F36 AromaticContact CD1-CD2 3.78Å; F13-F36 HydrophobicContact CD1-CD2 3.78Å; F13-F36 HydrophobicContact CD1-CG 4.22Å; F13-F36 HydrophobicContact CD2-CD2 4.34Å; F13-F36 HydrophobicContact CE1-CB 3.85Å; F13-F36 HydrophobicContact CG-CB 4.42Å; F13-F36 AromaticContact CG-CD2 3.67Å; F13-F36 HydrophobicContact CG-CD2 3.67Å; P32-F36 WeakPolarHBondContact O-CB 3.22Å; P32-F36 PolarHBondContact O-N 2.97Å; I33-F36 HydrophobicContact CD1-CD1 4.48Å; I33-F36 WeakPolarHBondContact O-CB 3.14Å; F36-L39 PolarHBondContact O-N 3.14Å; F36-T40 HydrophobicContact CD1-CG2 3.98Å; F36-T40 HydrophobicContact CE1-CG2 3.59Å; F36-T40 HydrophobicContact CE2-CG2 4.49Å; F36-T40 HydrophobicContact CZ-CG2 3.88Å; F36-T40 WeakPolarHBondContact O-CB 3.37Å; F36-T40 VanDerWaalsContact O-CG2 3.31Å; F36-T40 WeakPolarHBondContact O-CG2 3.45Å; F36-T40 PolarHBondContact O-N 2.96Å; F36-T40 PolarHBondContact O-OG1 2.85Å; F36-L60 HydrophobicContact CD2-CD2 3.35Å; F36-L60 HydrophobicContact CE2-CB 4.29Å; F36-L60 HydrophobicContact CE2-CD2 3.51Å; F36-L60 HydrophobicContact CG-CD2 4.05Å; F36-L60 HydrophobicContact CZ-CD2 4.3Å; F36-T75 HydrophobicContact CE1-CG2 3.69Å; F36-T75 HydrophobicContact CZ-CG2 3.99Å; F36-L79 HydrophobicContact CD1-CD1 3.92Å; F36-L79 HydrophobicContact CE1-CD1 3.59Å
37L95.5Very high95.2Very high0 Ų03.1 Ų3.10%02%0.018CC..Hα-helixtrans-66.1-35176.8-75.2170.7000113.5I33 S34 V35 T40 T41 F76 L79 L83 I96I33-L37 WeakPolarHBondContact O-CG 3.02Å; I33-L37 PolarHBondContact O-N 2.85Å; S34-L37 WeakPolarHBondContact O-CB 3.47Å; S34-L37 PolarHBondContact O-N 3.09Å; V35-L37 VanDerWaalsContact C-N 3.29Å; V35-L37 PolarHBondContact O-N 2.65Å; L37-T40 WeakPolarHBondContact CA-OG1 3.21Å; L37-T40 PolarHBondContact O-OG1 3.43Å; L37-T41 WeakPolarHBondContact O-CB 3.24Å; L37-T41 PolarHBondContact O-N 3.01Å; L37-T41 PolarHBondContact O-OG1 3.13Å; L37-F76 HydrophobicContact CB-CD2 4.24Å; L37-F76 HydrophobicContact CB-CE2 4.15Å; L37-F76 HydrophobicContact CD2-CD2 3.6Å; L37-F76 HydrophobicContact CD2-CE2 4.01Å; L37-F76 HydrophobicContact CD2-CG 4.28Å; L37-F76 WeakPolarHBondContact O-CD2 3.37Å; L37-L79 HydrophobicContact CD2-CB 3.84Å; L37-L79 HydrophobicContact CD2-CD1 4.44Å; L37-L83 HydrophobicContact CD1-CD1 3.97Å; L37-I96 HydrophobicContact CD1-CD1 3.58Å
38L95.9Very high95.3Very high1 Ų11.1 Ų1.11%0.0051%0.007CC..Hα-helixtrans-64.6-48.5173173.167.6000111.4S34 V35 T41 L42 N98 N169 L318S34-L38 PolarHBondContact O-N 2.76Å; V35-L38 WeakPolarHBondContact O-CB 3.4Å; V35-L38 PolarHBondContact O-N 3.44Å; V35-L38 VanDerWaalsContact O-N 3.17Å; L38-T41 WeakPolarHBondContact O-CA 3.47Å; L38-T41 VanDerWaalsContact O-CB 3.23Å; L38-T41 WeakPolarHBondContact O-CB 3.42Å; L38-T41 PolarHBondContact O-N 3.44Å; L38-T41 VanDerWaalsContact O-N 3.15Å; L38-L42 PolarHBondContact O-N 3.02Å; L38-N98 HydrophobicContact CD1-CB 4.43Å; L38-N169 HydrophobicContact CB-CB 4.38Å; L38-N169 HydrophobicContact CD2-CB 4Å; L38-L318 HydrophobicContact CD2-CD1 3.35Å
39L96.7Very high95.2Very high1 Ų14.3 Ų4.31%0.0052%0.021CC..Hα-helixtrans-68.3-38.9-178.7-69.3-177.4000111.8F13 V35 F36 T41 L42 L43 I56 L60 L289 I294F13-L39 HydrophobicContact CE2-CD1 3.7Å; F13-L39 HydrophobicContact CZ-CD1 3.76Å; V35-L39 PolarHBondContact O-N 3.17Å; F36-L39 PolarHBondContact O-N 3.14Å; L39-T41 VanDerWaalsContact C-N 3.26Å; L39-T41 PolarHBondContact O-N 3.05Å; L39-L42 HydrophobicContact CD2-CD1 4.25Å; L39-L42 PolarHBondContact O-N 3.39Å; L39-L43 WeakPolarHBondContact O-CB 3.45Å; L39-L43 PolarHBondContact O-N 2.76Å; L39-I56 HydrophobicContact CB-CG2 4.26Å; L39-L60 HydrophobicContact CB-CD1 3.92Å; L39-L60 HydrophobicContact CB-CD2 3.84Å; L39-L60 HydrophobicContact CB-CG 4.14Å; L39-L60 HydrophobicContact CD1-CD2 4.36Å; L39-L289 HydrophobicContact CD1-CD1 4.23Å; L39-L289 HydrophobicContact CD1-CD2 4.15Å; L39-L289 HydrophobicContact CD2-CD1 4.01Å; L39-I294 HydrophobicContact CD1-CD1 3.83Å; L39-I294 HydrophobicContact CD2-CD1 4.36Å
40T95.2Very high95.2Very high0 Ų06.3 Ų6.30%04%0.042CC..Hα-helixtrans-64.5-30.4171.552.10000112.2F36 L37 G44 L60 L62 T75F36-T40 HydrophobicContact CD1-CG2 3.98Å; F36-T40 HydrophobicContact CE1-CG2 3.59Å; F36-T40 HydrophobicContact CE2-CG2 4.49Å; F36-T40 HydrophobicContact CZ-CG2 3.88Å; F36-T40 WeakPolarHBondContact O-CB 3.37Å; F36-T40 VanDerWaalsContact O-CG2 3.31Å; F36-T40 WeakPolarHBondContact O-CG2 3.45Å; F36-T40 PolarHBondContact O-N 2.96Å; F36-T40 PolarHBondContact O-OG1 2.85Å; L37-T40 WeakPolarHBondContact CA-OG1 3.21Å; L37-T40 PolarHBondContact O-OG1 3.43Å; T40-G44 VanDerWaalsContact O-CA 3.26Å; T40-G44 WeakPolarHBondContact O-CA 3.4Å; T40-G44 PolarHBondContact O-N 2.76Å; T40-L60 HydrophobicContact CG2-CD1 3.79Å; T40-L60 HydrophobicContact CG2-CD2 4.12Å; T40-L62 HydrophobicContact CG2-CD1 4.07Å; T40-T75 HydrophobicContact CG2-CG2 4.46Å
41T95.3Very high95.3Very high0 Ų010.4 Ų10.40%06%0.064CC..Hα-helixtrans-63-50.3169.3-680000111.3L37 L38 L39 G44 S45 F76 M116 F120 N122L37-T41 WeakPolarHBondContact O-CB 3.24Å; L37-T41 PolarHBondContact O-N 3.01Å; L37-T41 PolarHBondContact O-OG1 3.13Å; L38-T41 WeakPolarHBondContact O-CA 3.47Å; L38-T41 VanDerWaalsContact O-CB 3.23Å; L38-T41 WeakPolarHBondContact O-CB 3.42Å; L38-T41 PolarHBondContact O-N 3.44Å; L38-T41 VanDerWaalsContact O-N 3.15Å; L39-T41 VanDerWaalsContact C-N 3.26Å; L39-T41 PolarHBondContact O-N 3.05Å; T41-G44 PolarHBondContact O-N 2.77Å; T41-S45 WeakPolarHBondContact O-CB 3.37Å; T41-S45 PolarHBondContact O-N 3.28Å; T41-S45 PolarHBondContact O-OG 3.02Å; T41-F76 VanDerWaalsContact OG1-CD2 3.31Å; T41-F76 WeakPolarHBondContact OG1-CD2 3.25Å; T41-F76 WeakPolarHBondContact OG1-CE2 3.38Å; T41-M116 HydrophobicContact CG2-CE 3.69Å; T41-M116 HydrophobicContact CG2-SD 3.74Å; T41-F120 HydrophobicContact CG2-CB 3.64Å; T41-F120 HydrophobicContact CG2-CD1 3.93Å; T41-F120 HydrophobicContact CG2-CD2 4.4Å; T41-F120 HydrophobicContact CG2-CG 3.73Å; T41-N122 WeakPolarHBondContact CG2-ND2 3.28Å
42L94.8Very high95.4Very high3 Ų310.4 Ų10.42%0.0166%0.064CC..Hα-helixtrans-59.9-50.8179.6-69.4176.8000110.9L38 L39 S45 P48 M100 L167 L297L38-L42 PolarHBondContact O-N 3.02Å; L39-L42 HydrophobicContact CD2-CD1 4.25Å; L39-L42 PolarHBondContact O-N 3.39Å; L42-S45 PolarHBondContact O-OG 3Å; L42-P48 HydrophobicContact CB-CG 4.17Å; L42-P48 WeakPolarHBondContact O-CD 3.5Å; L42-M100 HydrophobicContact CD2-CE 3.7Å; L42-L167 HydrophobicContact CD1-CD1 3.73Å; L42-L167 HydrophobicContact CD2-CD1 4.18Å; L42-L167 HydrophobicContact CG-CD1 4.46Å; L42-L297 HydrophobicContact CD1-CD2 4.26Å
43L94.9Very high95.3Very high1 Ų113.5 Ų13.51%0.0058%0.077CC..Hα-helixtrans-64.2-45.8179.1-175.458.7000111.9L39 G46 K53 I56 A57 L60 L62 A72L39-L43 WeakPolarHBondContact O-CB 3.45Å; L39-L43 PolarHBondContact O-N 2.76Å; L43-G46 PolarHBondContact O-N 3.26Å; L43-K53 HydrophobicContact CD1-CG 3.48Å; L43-K53 VanDerWaalsContact CD1-CG 3.48Å; L43-I56 HydrophobicContact CB-CG2 3.99Å; L43-I56 HydrophobicContact CD2-CG2 4.43Å; L43-A57 HydrophobicContact CD1-CB 4.34Å; L43-A57 HydrophobicContact CD2-CB 3.77Å; L43-L60 HydrophobicContact CD2-CD1 4Å; L43-L62 HydrophobicContact CD2-CB 4.49Å; L43-L62 HydrophobicContact CD2-CD1 4.21Å; L43-A72 HydrophobicContact CB-CB 3.96Å; L43-A72 HydrophobicContact CD2-CB 3.87Å; L43-A72 HydrophobicContact CG-CB 3.81Å
44G94.2Very high95.3Very high0 Ų015 Ų150%09%0.087CC..Hα-helixtrans-66.9-37.1-177.600000112.9T40 T41 G46 Q69 S73 R115T40-G44 VanDerWaalsContact O-CA 3.26Å; T40-G44 WeakPolarHBondContact O-CA 3.4Å; T40-G44 PolarHBondContact O-N 2.76Å; T41-G44 PolarHBondContact O-N 2.77Å; G44-G46 PolarHBondContact O-N 3.24Å; G44-Q69 WeakPolarHBondContact CA-O 2.9Å; G44-Q69 WeakPolarHBondContact O-CG 3.36Å; G44-S73 WeakPolarHBondContact CA-OG 3.21Å; G44-S73 PolarHBondContact O-OG 2.96Å; G44-R115 PolarHBondContact O-NH1 3.21Å; G44-R115 PolarHBondContact O-NH2 3.44Å
45S94.5Very high95.4Very high4 Ų416 Ų163%0.0289%0.091CC..Hα-helixtrans-65.6-19175.266.30000112.9T41 L42 G47 F112 R115T41-S45 WeakPolarHBondContact O-CB 3.37Å; T41-S45 PolarHBondContact O-N 3.28Å; T41-S45 PolarHBondContact O-OG 3.02Å; L42-S45 PolarHBondContact O-OG 3Å; S45-G47 VanDerWaalsContact C-N 3.26Å; S45-G47 PolarHBondContact OG-N 3.27Å; S45-F112 VanDerWaalsContact OG-CE2 3.24Å; S45-F112 WeakPolarHBondContact OG-CE2 3.46Å; S45-R115 PolarHBondContact O-NH1 3.12Å
46G93.3Very high95.5Very high6 Ų616 Ų166%0.0629%0.091CC..THydrogen-bonded Turntrans75.417.3-177.300000112.9L43 G44 K49 G307L43-G46 PolarHBondContact O-N 3.26Å; G44-G46 PolarHBondContact O-N 3.24Å; G46-K49 WeakPolarHBondContact O-CE 3.22Å; G46-K49 PolarHBondContact O-NZ 3.24Å; G46-G307 WeakPolarHBondContact O-CA 3.17Å
47G94.6Very high95.4Very high0 Ų015.9 Ų15.90%09%0.091CC..  trans-61.5-60.417700000112.3S45 L305 G307S45-G47 VanDerWaalsContact C-N 3.26Å; S45-G47 PolarHBondContact OG-N 3.27Å; G47-L305 CarbonylContact O-C 3.53Å; G47-G307 VanDerWaalsContact O-CA 3.23Å; G47-G307 WeakPolarHBondContact O-CA 3.16Å; G47-G307 PolarHBondContact O-N 2.69Å
48P95.9Very high95.3Very high1 Ų120.8 Ų20.81%0.00611%0.113CC..  trans-64.3139.4172.3-21.434.7000112.5L42 T52 K53 I56 D304 L305L42-P48 HydrophobicContact CB-CG 4.17Å; L42-P48 WeakPolarHBondContact O-CD 3.5Å; P48-T52 HydrophobicContact CB-CG2 4.08Å; P48-K53 HydrophobicContact CB-CB 4.21Å; P48-I56 HydrophobicContact CB-CD1 3.96Å; P48-I56 HydrophobicContact CG-CD1 3.61Å; P48-D304 CarbonylContact C-O 3.41Å; P48-D304 WeakPolarHBondContact CA-O 3.47Å; P48-L305 HydrophobicContact CB-CD2 4.26Å; P48-L305 HydrophobicContact CG-CD2 4.04Å
49K95.4Very high95.3Very high72 Ų7221.4 Ų21.431%0.31312%0.119SC..  trans-127.7-177.7175.3-59.8-61-177-161.80109.5G46 N51 T52 K53 D304G46-K49 WeakPolarHBondContact O-CE 3.22Å; G46-K49 PolarHBondContact O-NZ 3.24Å; K49-N51 PolarHBondContact O-N 3.28Å; K49-T52 WeakPolarHBondContact O-CB 3.08Å; K49-T52 PolarHBondContact O-N 3.31Å; K49-K53 PolarHBondContact O-N 3.05Å; K49-D304 HydrophobicContact CB-CB 4.3Å; K49-D304 VanDerWaalsContact CB-CG 3.46Å; K49-D304 VanDerWaalsContact CB-OD2 3.29Å; K49-D304 WeakPolarHBondContact CB-OD2 3.21Å; K49-D304 PolarHBondContact N-O 2.87Å
50G94.5Very high95.1Very high42 Ų4221.4 Ų21.443%0.43312%0.119SC..Hα-helixtrans50.4-137.7176.700000113.4D304G50-D304 PolarHBondContact N-OD2 3.18Å
51N96.2Very high94.8Very high87 Ų8724 Ų2447%0.46513%0.131SC..Hα-helixtrans-72.7-30.3179.8-16659.1000113K49 K53 V54 Q55 D296K49-N51 PolarHBondContact O-N 3.28Å; N51-K53 VanDerWaalsContact C-N 3.25Å; N51-K53 PolarHBondContact O-N 3.26Å; N51-V54 WeakPolarHBondContact O-CB 3.45Å; N51-V54 PolarHBondContact O-N 3.04Å; N51-Q55 PolarHBondContact ND2-NE2 3.1Å; N51-Q55 PolarHBondContact O-N 2.91Å; N51-D296 WeakPolarHBondContact CB-OD2 3.5Å; N51-D296 PolarHBondContact ND2-OD2 3.13Å
52T97.3Very high94.4Very high0 Ų024 Ų240%013%0.131CC..Hα-helixtrans-56-41.5173.6-47.70000111.8P48 K49 I56 D296 L297 D304P48-T52 HydrophobicContact CB-CG2 4.08Å; K49-T52 WeakPolarHBondContact O-CB 3.08Å; K49-T52 PolarHBondContact O-N 3.31Å; T52-I56 HydrophobicContact CG2-CD1 4.36Å; T52-I56 WeakPolarHBondContact O-CD1 3.34Å; T52-I56 WeakPolarHBondContact O-CG1 3.48Å; T52-I56 PolarHBondContact O-N 2.98Å; T52-D296 HydrophobicContact CG2-CB 4.47Å; T52-D296 WeakPolarHBondContact OG1-CB 3.35Å; T52-L297 HydrophobicContact CG2-CB 3.93Å; T52-L297 HydrophobicContact CG2-CD1 3.99Å; T52-D304 PolarHBondContact OG1-N 2.76Å
53K95.6Very high93.3Very high64 Ų6427.2 Ų27.228%0.27815%0.148SC..Hα-helixtrans-63.6-41.5174.5-177.6-166.162.2167.80112.2L43 P48 K49 N51 A57 Y68L43-K53 HydrophobicContact CD1-CG 3.48Å; L43-K53 VanDerWaalsContact CD1-CG 3.48Å; P48-K53 HydrophobicContact CB-CB 4.21Å; K49-K53 PolarHBondContact O-N 3.05Å; N51-K53 VanDerWaalsContact C-N 3.25Å; N51-K53 PolarHBondContact O-N 3.26Å; K53-A57 WeakPolarHBondContact O-CB 3.18Å; K53-A57 PolarHBondContact O-N 3.31Å; K53-Y68 HydrophobicContact CD-CD2 4Å; K53-Y68 HydrophobicContact CG-CD2 4.23Å
54V94.7Very high92.1Very high33 Ų3332.3 Ų32.320%0.218%0.176CC..Hα-helixtrans-66.2-49.2-177.6175.20000110.1N51 I56 A57 E58 Y68N51-V54 WeakPolarHBondContact O-CB 3.45Å; N51-V54 PolarHBondContact O-N 3.04Å; V54-I56 VanDerWaalsContact C-N 3.3Å; V54-I56 PolarHBondContact O-N 3.48Å; V54-A57 WeakPolarHBondContact O-CA 3.2Å; V54-A57 WeakPolarHBondContact O-CB 3.31Å; V54-A57 PolarHBondContact O-N 3.2Å; V54-E58 HydrophobicContact CG1-CG 4.22Å; V54-E58 WeakPolarHBondContact CG1-OE1 3.49Å; V54-E58 WeakPolarHBondContact O-CG 3.45Å; V54-E58 PolarHBondContact O-N 3.4Å; V54-Y68 HydrophobicContact CG2-CE2 4.34Å
55Q96.8Very high90.7Very high19 Ų1935 Ų359%0.08919%0.192CC..Hα-helixtrans-55.8-43.2177.4-70.1176.1-11.500112.5N51 A59 Y293 T295 D296N51-Q55 PolarHBondContact ND2-NE2 3.1Å; N51-Q55 PolarHBondContact O-N 2.91Å; Q55-A59 WeakPolarHBondContact O-CB 3.38Å; Q55-A59 PolarHBondContact O-N 2.77Å; Q55-Y293 VanDerWaalsContact CD-O 3.31Å; Q55-Y293 WeakPolarHBondContact CG-O 3.41Å; Q55-T295 PolarHBondContact NE2-OG1 3.22Å; Q55-D296 PolarHBondContact NE2-OD1 3.5Å
56I96.9Very high89.7Confident0 Ų044.2 Ų44.20%023%0.232CC..Hα-helixtrans-67.2-39.8176.7-63166.5000111.1L39 L43 P48 T52 V54 L60 I294 L297L39-I56 HydrophobicContact CB-CG2 4.26Å; L43-I56 HydrophobicContact CB-CG2 3.99Å; L43-I56 HydrophobicContact CD2-CG2 4.43Å; P48-I56 HydrophobicContact CB-CD1 3.96Å; P48-I56 HydrophobicContact CG-CD1 3.61Å; T52-I56 HydrophobicContact CG2-CD1 4.36Å; T52-I56 WeakPolarHBondContact O-CD1 3.34Å; T52-I56 WeakPolarHBondContact O-CG1 3.48Å; T52-I56 PolarHBondContact O-N 2.98Å; V54-I56 VanDerWaalsContact C-N 3.3Å; V54-I56 PolarHBondContact O-N 3.48Å; I56-L60 HydrophobicContact CG2-CD1 3.87Å; I56-L60 WeakPolarHBondContact O-CB 3.4Å; I56-L60 WeakPolarHBondContact O-CD1 3.42Å; I56-L60 VanDerWaalsContact O-CG 3.26Å; I56-L60 WeakPolarHBondContact O-CG 3.33Å; I56-L60 PolarHBondContact O-N 2.91Å; I56-L60 VanDerWaalsContact O-N 3.16Å; I56-I294 HydrophobicContact CG1-CD1 4.34Å; I56-I294 HydrophobicContact CG1-CG2 3.92Å; I56-L297 HydrophobicContact CD1-CD1 4.49Å; I56-L297 HydrophobicContact CD1-CD2 4.25Å
57A94.9Very high89.3Confident0 Ų049.7 Ų49.70%026%0.256CS..Hα-helixtrans-65.1-45.5178.900000111.8L43 K53 V54 L60 E61 L62 Y68L43-A57 HydrophobicContact CD1-CB 4.34Å; L43-A57 HydrophobicContact CD2-CB 3.77Å; K53-A57 WeakPolarHBondContact O-CB 3.18Å; K53-A57 PolarHBondContact O-N 3.31Å; V54-A57 WeakPolarHBondContact O-CA 3.2Å; V54-A57 WeakPolarHBondContact O-CB 3.31Å; V54-A57 PolarHBondContact O-N 3.2Å; A57-L60 PolarHBondContact O-N 3.47Å; A57-E61 PolarHBondContact O-N 2.93Å; A57-L62 PolarHBondContact O-N 3.5Å; A57-Y68 HydrophobicContact CB-CD1 3.76Å; A57-Y68 HydrophobicContact CB-CD2 4.16Å; A57-Y68 HydrophobicContact CB-CE1 4.15Å; A57-Y68 HydrophobicContact CB-CE2 4.5Å; A57-Y68 HydrophobicContact CB-CG 3.78Å
58E94.1Very high88.8Confident102 Ų10251.4 Ų51.448%0.47726%0.262SS..Hα-helixtrans-62.7-45.7177.5-70.4173170.400111.5V54 L60 E61 D63V54-E58 HydrophobicContact CG1-CG 4.22Å; V54-E58 WeakPolarHBondContact CG1-OE1 3.49Å; V54-E58 WeakPolarHBondContact O-CG 3.45Å; V54-E58 PolarHBondContact O-N 3.4Å; E58-L60 PolarHBondContact O-N 3Å; E58-E61 WeakPolarHBondContact O-CA 3.33Å; E58-E61 PolarHBondContact O-N 3.3Å; E58-D63 HydrophobicContact CG-CB 4.01Å
59A94.8Very high88.5Confident15 Ų1554.8 Ų54.812%0.12428%0.278CS..Hα-helixtrans-61.5-31.7177.400000113F13 Q55 E61 I294F13-A59 WeakPolarHBondContact CD2-O 3.3Å; Q55-A59 WeakPolarHBondContact O-CB 3.38Å; Q55-A59 PolarHBondContact O-N 2.77Å; A59-E61 VanDerWaalsContact C-N 3.26Å; A59-I294 HydrophobicContact CB-CD1 3.68Å; A59-I294 HydrophobicContact CB-CG1 3.75Å
60L94Very high88.2Confident0 Ų056.5 Ų56.50%029%0.285CS..THydrogen-bonded Turntrans-83.80.6175.5-69.4171.4000113.7F13 F36 L39 T40 L43 I56 A57 E58 L62F13-L60 HydrophobicContact CD2-CD2 4.15Å; F13-L60 HydrophobicContact CE2-CD2 4.29Å; F36-L60 HydrophobicContact CD2-CD2 3.35Å; F36-L60 HydrophobicContact CE2-CB 4.29Å; F36-L60 HydrophobicContact CE2-CD2 3.51Å; F36-L60 HydrophobicContact CG-CD2 4.05Å; F36-L60 HydrophobicContact CZ-CD2 4.3Å; L39-L60 HydrophobicContact CB-CD1 3.92Å; L39-L60 HydrophobicContact CB-CD2 3.84Å; L39-L60 HydrophobicContact CB-CG 4.14Å; L39-L60 HydrophobicContact CD1-CD2 4.36Å; T40-L60 HydrophobicContact CG2-CD1 3.79Å; T40-L60 HydrophobicContact CG2-CD2 4.12Å; L43-L60 HydrophobicContact CD2-CD1 4Å; I56-L60 HydrophobicContact CG2-CD1 3.87Å; I56-L60 WeakPolarHBondContact O-CB 3.4Å; I56-L60 WeakPolarHBondContact O-CD1 3.42Å; I56-L60 VanDerWaalsContact O-CG 3.26Å; I56-L60 WeakPolarHBondContact O-CG 3.33Å; I56-L60 PolarHBondContact O-N 2.91Å; I56-L60 VanDerWaalsContact O-N 3.16Å; A57-L60 PolarHBondContact O-N 3.47Å; E58-L60 PolarHBondContact O-N 3Å; L60-L62 HydrophobicContact CB-CB 4.37Å; L60-L62 HydrophobicContact CB-CD1 3.96Å; L60-L62 HydrophobicContact CB-CG 3.82Å; L60-L62 HydrophobicContact CD1-CD1 4.08Å; L60-L62 PolarHBondContact O-N 2.87Å
61E89.2Confident88Confident56 Ų5656.7 Ų56.726%0.26228%0.277SS..THydrogen-bonded Turntrans52.632.7-166.8-51.6-170.7136.900112.5R9 V12 A57 E58 A59 D63R9-E61 WeakPolarHBondContact CA-OE2 3.26Å; R9-E61 HydrophobicContact CB-CB 4.2Å; R9-E61 WeakPolarHBondContact CD-O 3.23Å; R9-E61 HydrophobicContact CG-CB 4.08Å; R9-E61 PolarHBondContact NE-O 3.49Å; R9-E61 PolarHBondContact NH1-O 2.91Å; V12-E61 VanDerWaalsContact CB-CD 3.45Å; V12-E61 WeakPolarHBondContact CB-OE1 3.39Å; V12-E61 WeakPolarHBondContact CB-OE2 3.46Å; V12-E61 VanDerWaalsContact CG1-CD 3.45Å; V12-E61 HydrophobicContact CG1-CG 4.4Å; V12-E61 WeakPolarHBondContact CG1-OE1 3.46Å; V12-E61 WeakPolarHBondContact CG2-OE2 3.48Å; A57-E61 PolarHBondContact O-N 2.93Å; E58-E61 WeakPolarHBondContact O-CA 3.33Å; E58-E61 PolarHBondContact O-N 3.3Å; A59-E61 VanDerWaalsContact C-N 3.26Å; E61-D63 VanDerWaalsContact C-N 3.34Å
62L85.7Confident87.9Confident0 Ų052.6 Ų52.60%025%0.254CS..  trans-9818179-63.1179.4000112.6R9 T40 L43 A57 L60 Y68 L71 A72R9-L62 VanDerWaalsContact CD-CD2 3.5Å; T40-L62 HydrophobicContact CG2-CD1 4.07Å; L43-L62 HydrophobicContact CD2-CB 4.49Å; L43-L62 HydrophobicContact CD2-CD1 4.21Å; A57-L62 PolarHBondContact O-N 3.5Å; L60-L62 HydrophobicContact CB-CB 4.37Å; L60-L62 HydrophobicContact CB-CD1 3.96Å; L60-L62 HydrophobicContact CB-CG 3.82Å; L60-L62 HydrophobicContact CD1-CD1 4.08Å; L60-L62 PolarHBondContact O-N 2.87Å; L62-Y68 VanDerWaalsContact O-CD1 3.28Å; L62-Y68 WeakPolarHBondContact O-CD1 3.34Å; L62-L71 HydrophobicContact CB-CD2 4.2Å; L62-L71 HydrophobicContact CD2-CD2 3.82Å; L62-L71 HydrophobicContact CD2-CG 4Å; L62-A72 HydrophobicContact CD1-CB 3.88Å
63D73Confident87.7Confident69 Ų6953.4 Ų53.437%0.36926%0.26SS..THydrogen-bonded Turntrans-80.8-12.3-17262.4-48.2000114.8E58 E61 T65 Y68E58-D63 HydrophobicContact CG-CB 4.01Å; E61-D63 VanDerWaalsContact C-N 3.34Å; D63-T65 PolarHBondContact O-N 2.88Å; D63-Y68 HydrophobicContact CB-CE1 4.35Å
64D67.7Low87.5Confident109 Ų10957.5 Ų57.558%0.58327%0.274SS*.THydrogen-bonded Turntrans-59.1-15.4-178.6-69.4-22.4000115.3R9R9-D64 IonicContact CZ-OD2 3.85Å; R9-D64 IonicContact NH1-OD2 2.69Å; R9-D64 PolarHBondContact NH1-OD2 3.03Å; R9-D64 IonicContact NH2-OD2 2.77Å; R9-D64 PolarHBondContact NH2-OD2 3.06Å
65T66Low87.3Confident57 Ų5757.3 Ų57.335%0.3527%0.273SS..SBendtrans-133.5142.5-179.372.40000110.3D63 E67 Y68D63-T65 PolarHBondContact O-N 2.88Å; T65-E67 PolarHBondContact O-N 3.16Å; T65-E67 PolarHBondContact OG1-N 3.43Å; T65-Y68 WeakPolarHBondContact O-CD1 3.33Å; T65-Y68 WeakPolarHBondContact O-CE1 3.48Å
66K73.5Confident87.2Confident196 Ų19656.5 Ų56.585%0.85227%0.269SS*.SBendtrans-64-4.5170.9-66.3-175.3178.6-179.70113.5Y68K66-Y68 PolarHBondContact O-N 3.35Å
67E83.7Confident87Confident121 Ų12157.9 Ų57.957%0.56528%0.28SS*.  trans-98.439.1-175.7-70.6-71.1120.100113T65 Q69 K70 L71T65-E67 PolarHBondContact O-N 3.16Å; T65-E67 PolarHBondContact OG1-N 3.43Å; E67-Q69 VanDerWaalsContact C-N 3.25Å; E67-Q69 PolarHBondContact O-N 3.45Å; E67-K70 PolarHBondContact O-N 3.4Å; E67-L71 PolarHBondContact O-N 2.93Å; E67-L71 VanDerWaalsContact O-N 3.12Å
68Y84.8Confident86.7Confident36 Ų3664 Ų6414%0.14131%0.313CS..Hα-helixtrans-45.1-46.1-174.4-52-44.6000114K53 V54 A57 L62 D63 T65 K66 K70 L71 A72K53-Y68 HydrophobicContact CD-CD2 4Å; K53-Y68 HydrophobicContact CG-CD2 4.23Å; V54-Y68 HydrophobicContact CG2-CE2 4.34Å; A57-Y68 HydrophobicContact CB-CD1 3.76Å; A57-Y68 HydrophobicContact CB-CD2 4.16Å; A57-Y68 HydrophobicContact CB-CE1 4.15Å; A57-Y68 HydrophobicContact CB-CE2 4.5Å; A57-Y68 HydrophobicContact CB-CG 3.78Å; L62-Y68 VanDerWaalsContact O-CD1 3.28Å; L62-Y68 WeakPolarHBondContact O-CD1 3.34Å; D63-Y68 HydrophobicContact CB-CE1 4.35Å; T65-Y68 WeakPolarHBondContact O-CD1 3.33Å; T65-Y68 WeakPolarHBondContact O-CE1 3.48Å; K66-Y68 PolarHBondContact O-N 3.35Å; Y68-K70 PolarHBondContact O-N 2.94Å; Y68-L71 PolarHBondContact O-N 3.2Å; Y68-A72 WeakPolarHBondContact O-CB 3.37Å; Y68-A72 PolarHBondContact O-N 2.77Å
69Q89Confident86.7Confident72 Ų7259.8 Ų59.834%0.33629%0.293SS..Hα-helixtrans-63.2-43.3-176.3-174.8-177.5-29.700112.1G44 E67 S73G44-Q69 WeakPolarHBondContact CA-O 2.9Å; G44-Q69 WeakPolarHBondContact O-CG 3.36Å; E67-Q69 VanDerWaalsContact C-N 3.25Å; E67-Q69 PolarHBondContact O-N 3.45Å; Q69-S73 WeakPolarHBondContact O-CB 3.17Å; Q69-S73 PolarHBondContact O-N 3.44Å; Q69-S73 PolarHBondContact O-OG 3.46Å
70K90.5Very high86.6Confident108 Ų10860 Ų6047%0.4729%0.291SS..Hα-helixtrans-71.3-42-178.7-175.5177.8-178.5177.60110.7E67 Y68 S73 R74E67-K70 PolarHBondContact O-N 3.4Å; Y68-K70 PolarHBondContact O-N 2.94Å; K70-S73 PolarHBondContact O-N 3.15Å; K70-R74 VanDerWaalsContact CE-NH2 3.34Å; K70-R74 WeakPolarHBondContact O-CG 3.35Å; K70-R74 PolarHBondContact O-N 2.9Å; K70-R74 VanDerWaalsContact O-N 3.11Å
71L90.7Very high86.4Confident47 Ų4765 Ų6525%0.24631%0.314CS..Hα-helixtrans-63.7-50.2177-17660000110.9L62 E67 Y68 S73 R74 T75L62-L71 HydrophobicContact CB-CD2 4.2Å; L62-L71 HydrophobicContact CD2-CD2 3.82Å; L62-L71 HydrophobicContact CD2-CG 4Å; E67-L71 PolarHBondContact O-N 2.93Å; E67-L71 VanDerWaalsContact O-N 3.12Å; Y68-L71 PolarHBondContact O-N 3.2Å; L71-S73 VanDerWaalsContact C-N 3.33Å; L71-S73 PolarHBondContact O-N 3Å; L71-R74 PolarHBondContact O-N 3.28Å; L71-R74 VanDerWaalsContact O-N 3.16Å; L71-T75 WeakPolarHBondContact O-CB 3.45Å; L71-T75 PolarHBondContact O-N 2.87Å; L71-T75 PolarHBondContact O-OG1 3.09Å
72A92.9Very high86.5Confident0 Ų065.6 Ų65.60%032%0.319CS..Hα-helixtrans-58.7-41.517700000112.7L43 L62 Y68 R74 T75 F76L43-A72 HydrophobicContact CB-CB 3.96Å; L43-A72 HydrophobicContact CD2-CB 3.87Å; L43-A72 HydrophobicContact CG-CB 3.81Å; L62-A72 HydrophobicContact CD1-CB 3.88Å; Y68-A72 WeakPolarHBondContact O-CB 3.37Å; Y68-A72 PolarHBondContact O-N 2.77Å; A72-R74 PolarHBondContact O-N 2.93Å; A72-T75 PolarHBondContact O-N 3.38Å; A72-F76 WeakPolarHBondContact O-CB 3.41Å; A72-F76 PolarHBondContact O-N 2.96Å
73S92.7Very high86.7Confident17 Ų1765.7 Ų65.712%0.11932%0.319CS..Hα-helixtrans-61.6-42.1176.5-58.30000112.4G44 Q69 K70 L71 A77 R115G44-S73 WeakPolarHBondContact CA-OG 3.21Å; G44-S73 PolarHBondContact O-OG 2.96Å; Q69-S73 WeakPolarHBondContact O-CB 3.17Å; Q69-S73 PolarHBondContact O-N 3.44Å; Q69-S73 PolarHBondContact O-OG 3.46Å; K70-S73 PolarHBondContact O-N 3.15Å; L71-S73 VanDerWaalsContact C-N 3.33Å; L71-S73 PolarHBondContact O-N 3Å; S73-A77 WeakPolarHBondContact O-CB 3.12Å; S73-A77 PolarHBondContact O-N 3.19Å; S73-R115 PolarHBondContact OG-NH2 2.58Å
74R91.4Very high87.6Confident151 Ų15162.7 Ų62.757%0.5730%0.304SS*.Hα-helixtrans-69.3-45.1178-74.2174.5172.6-173.7-7.3111.6K70 L71 A72 F76 A77 L78K70-R74 VanDerWaalsContact CE-NH2 3.34Å; K70-R74 WeakPolarHBondContact O-CG 3.35Å; K70-R74 PolarHBondContact O-N 2.9Å; K70-R74 VanDerWaalsContact O-N 3.11Å; L71-R74 PolarHBondContact O-N 3.28Å; L71-R74 VanDerWaalsContact O-N 3.16Å; A72-R74 PolarHBondContact O-N 2.93Å; R74-F76 VanDerWaalsContact C-N 3.33Å; R74-F76 PolarHBondContact O-N 3.25Å; R74-A77 PolarHBondContact O-N 3.16Å; R74-L78 WeakPolarHBondContact O-CB 3.44Å; R74-L78 WeakPolarHBondContact O-CG 3.48Å; R74-L78 PolarHBondContact O-N 2.89Å
75T91.7Very high88.5Confident29 Ų2963.9 Ų63.918%0.17831%0.31CS..Hα-helixtrans-58.3-47.2176.6-60.80000110.8F36 T40 L71 A72 L78 L79F36-T75 HydrophobicContact CE1-CG2 3.69Å; F36-T75 HydrophobicContact CZ-CG2 3.99Å; T40-T75 HydrophobicContact CG2-CG2 4.46Å; L71-T75 WeakPolarHBondContact O-CB 3.45Å; L71-T75 PolarHBondContact O-N 2.87Å; L71-T75 PolarHBondContact O-OG1 3.09Å; A72-T75 PolarHBondContact O-N 3.38Å; T75-L78 PolarHBondContact O-N 3.44Å; T75-L79 HydrophobicContact CG2-CD1 3.93Å; T75-L79 WeakPolarHBondContact O-CB 3.37Å; T75-L79 PolarHBondContact O-N 2.89Å
76F93.9Very high89.3Confident1 Ų163.6 Ų63.60%0.00431%0.305CS..Hα-helixtrans-57.3-54.3175.2177.7-86.1000111.1L37 T41 A72 R74 L78 L79 Y80 I119 F120L37-F76 HydrophobicContact CB-CD2 4.24Å; L37-F76 HydrophobicContact CB-CE2 4.15Å; L37-F76 HydrophobicContact CD2-CD2 3.6Å; L37-F76 HydrophobicContact CD2-CE2 4.01Å; L37-F76 HydrophobicContact CD2-CG 4.28Å; L37-F76 WeakPolarHBondContact O-CD2 3.37Å; T41-F76 VanDerWaalsContact OG1-CD2 3.31Å; T41-F76 WeakPolarHBondContact OG1-CD2 3.25Å; T41-F76 WeakPolarHBondContact OG1-CE2 3.38Å; A72-F76 WeakPolarHBondContact O-CB 3.41Å; A72-F76 PolarHBondContact O-N 2.96Å; R74-F76 VanDerWaalsContact C-N 3.33Å; R74-F76 PolarHBondContact O-N 3.25Å; F76-L78 VanDerWaalsContact C-N 3.32Å; F76-L78 PolarHBondContact O-N 3.16Å; F76-L79 PolarHBondContact O-N 3.21Å; F76-Y80 HydrophobicContact CE1-CD1 4.4Å; F76-Y80 HydrophobicContact CE1-CD2 4.12Å; F76-Y80 AromaticContact CE1-CG 3.83Å; F76-Y80 HydrophobicContact CE1-CG 3.83Å; F76-Y80 HydrophobicContact CE2-CD2 4.09Å; F76-Y80 HydrophobicContact CE2-CG 4.48Å; F76-Y80 AromaticContact CZ-CD2 3.5Å; F76-Y80 HydrophobicContact CZ-CD2 3.5Å; F76-Y80 VanDerWaalsContact CZ-CD2 3.5Å; F76-Y80 HydrophobicContact CZ-CE2 4.17Å; F76-Y80 AromaticContact CZ-CG 3.71Å; F76-Y80 HydrophobicContact CZ-CG 3.71Å; F76-Y80 WeakPolarHBondContact O-CB 3.13Å; F76-Y80 PolarHBondContact O-N 2.96Å; F76-I119 WeakPolarHBondContact CE1-O 3.28Å; F76-F120 HydrophobicContact CB-CD1 4.17Å; F76-F120 HydrophobicContact CB-CE1 3.89Å; F76-F120 AromaticContact CD1-CD1 3.46Å; F76-F120 HydrophobicContact CD1-CD1 3.46Å; F76-F120 VanDerWaalsContact CD1-CD1 3.46Å; F76-F120 AromaticContact CD1-CE1 3.91Å; F76-F120 HydrophobicContact CD1-CE1 3.91Å; F76-F120 HydrophobicContact CD1-CG 4.45Å; F76-F120 AromaticContact CD2-CD1 3.92Å; F76-F120 HydrophobicContact CD2-CD1 3.92Å; F76-F120 HydrophobicContact CD2-CE1 4.43Å; F76-F120 HydrophobicContact CE1-CB 4.26Å; F76-F120 AromaticContact CE1-CD1 3.81Å; F76-F120 HydrophobicContact CE1-CD1 3.81Å; F76-F120 HydrophobicContact CE1-CG 4.46Å; F76-F120 HydrophobicContact CE2-CD1 4.2Å; F76-F120 AromaticContact CG-CD1 3.54Å; F76-F120 HydrophobicContact CG-CD1 3.54Å; F76-F120 AromaticContact CG-CE1 3.79Å; F76-F120 HydrophobicContact CG-CE1 3.79Å; F76-F120 HydrophobicContact CZ-CB 4.26Å; F76-F120 HydrophobicContact CZ-CD1 4.15Å; F76-F120 VanDerWaalsContact CZ-O 3.31Å; F76-F120 WeakPolarHBondContact CZ-O 3.35Å
77A92.1Very high89.6Confident29 Ų2960.6 Ų60.624%0.2429%0.292CS..Hα-helixtrans-57.8-45.4-176.400000111.6S73 R74 H81S73-A77 WeakPolarHBondContact O-CB 3.12Å; S73-A77 PolarHBondContact O-N 3.19Å; R74-A77 PolarHBondContact O-N 3.16Å; A77-H81 VanDerWaalsContact O-CB 3.27Å; A77-H81 WeakPolarHBondContact O-CB 3.27Å; A77-H81 PolarHBondContact O-CD2 3.34Å; A77-H81 VanDerWaalsContact O-CG 3.28Å; A77-H81 PolarHBondContact O-N 3.37Å
78L90.5Very high89Confident130 Ų13057.2 Ų57.268%0.68128%0.277SS*.Hα-helixtrans-62.6-50.2179.1-71.2171.8000112.2R74 T75 F76 N82R74-L78 WeakPolarHBondContact O-CB 3.44Å; R74-L78 WeakPolarHBondContact O-CG 3.48Å; R74-L78 PolarHBondContact O-N 2.89Å; T75-L78 PolarHBondContact O-N 3.44Å; F76-L78 VanDerWaalsContact C-N 3.32Å; F76-L78 PolarHBondContact O-N 3.16Å; L78-N82 WeakPolarHBondContact O-CB 3.19Å; L78-N82 PolarHBondContact O-N 3.18Å
79L93Very high88.3Confident13 Ų1362.3 Ų62.37%0.06830%0.302CS..Hα-helixtrans-69.5-45.6-178-73.9174.8000112.1Y10 I33 F36 L37 T75 F76 N82 L83 L369Y10-L79 HydrophobicContact CD1-CD1 3.94Å; Y10-L79 HydrophobicContact CD1-CD2 4.01Å; Y10-L79 HydrophobicContact CE1-CD2 3.9Å; Y10-L79 HydrophobicContact CG-CD1 4.46Å; I33-L79 HydrophobicContact CD1-CD1 4.26Å; F36-L79 HydrophobicContact CD1-CD1 3.92Å; F36-L79 HydrophobicContact CE1-CD1 3.59Å; L37-L79 HydrophobicContact CD2-CB 3.84Å; L37-L79 HydrophobicContact CD2-CD1 4.44Å; T75-L79 HydrophobicContact CG2-CD1 3.93Å; T75-L79 WeakPolarHBondContact O-CB 3.37Å; T75-L79 PolarHBondContact O-N 2.89Å; F76-L79 PolarHBondContact O-N 3.21Å; L79-N82 PolarHBondContact O-N 3.38Å; L79-L83 WeakPolarHBondContact O-CB 3.46Å; L79-L83 VanDerWaalsContact O-CG 3.26Å; L79-L83 WeakPolarHBondContact O-CG 3.31Å; L79-L83 PolarHBondContact O-N 3.01Å; L79-L369 HydrophobicContact CD2-CD1 4.21Å; L79-L369 HydrophobicContact CD2-CD2 4.36Å
80Y93.1Very high87.6Confident19 Ų1962 Ų628%0.07532%0.318CS..Hα-helixtrans-60.9-48.4-179.9-173.9-89000111.2F76 L83 T84 I96 H121F76-Y80 HydrophobicContact CE1-CD1 4.4Å; F76-Y80 HydrophobicContact CE1-CD2 4.12Å; F76-Y80 AromaticContact CE1-CG 3.83Å; F76-Y80 HydrophobicContact CE1-CG 3.83Å; F76-Y80 HydrophobicContact CE2-CD2 4.09Å; F76-Y80 HydrophobicContact CE2-CG 4.48Å; F76-Y80 AromaticContact CZ-CD2 3.5Å; F76-Y80 HydrophobicContact CZ-CD2 3.5Å; F76-Y80 VanDerWaalsContact CZ-CD2 3.5Å; F76-Y80 HydrophobicContact CZ-CE2 4.17Å; F76-Y80 AromaticContact CZ-CG 3.71Å; F76-Y80 HydrophobicContact CZ-CG 3.71Å; F76-Y80 WeakPolarHBondContact O-CB 3.13Å; F76-Y80 PolarHBondContact O-N 2.96Å; Y80-L83 PolarHBondContact O-N 3.49Å; Y80-T84 HydrophobicContact CD1-CG2 4.41Å; Y80-T84 HydrophobicContact CD2-CG2 4.24Å; Y80-T84 HydrophobicContact CE1-CG2 4.16Å; Y80-T84 WeakPolarHBondContact CE1-OG1 3.48Å; Y80-T84 HydrophobicContact CE2-CG2 4.01Å; Y80-T84 HydrophobicContact CG-CG2 4.43Å; Y80-T84 WeakPolarHBondContact O-CB 3.31Å; Y80-T84 WeakPolarHBondContact O-CG2 3.09Å; Y80-T84 PolarHBondContact O-N 2.9Å; Y80-T84 PolarHBondContact O-OG1 2.94Å; Y80-I96 HydrophobicContact CD2-CD1 4.5Å; Y80-I96 HydrophobicContact CE2-CB 4.01Å; Y80-I96 HydrophobicContact CE2-CG2 4.38Å; Y80-H121 AromaticContact CD1-CD2 3.6Å; Y80-H121 HydrophobicContact CE1-CB 4.22Å; Y80-H121 AromaticContact CE1-CD2 3.19Å; Y80-H121 WeakPolarHBondContact CE1-CD2 3.31Å; Y80-H121 AromaticContact CE1-CG 3.79Å; Y80-H121 AromaticContact CE1-NE2 3.8Å; Y80-H121 AromaticContact CZ-CD2 3.76Å; Y80-H121 AromaticContact CZ-CG 3.97Å
81H89.7Confident86.8Confident105 Ų10563.4 Ų63.449%0.48632%0.324SS..Hα-helixtrans-64.7-41.2176.4-69.4-49.6000111.7A77 L83 N85A77-H81 VanDerWaalsContact O-CB 3.27Å; A77-H81 WeakPolarHBondContact O-CB 3.27Å; A77-H81 PolarHBondContact O-CD2 3.34Å; A77-H81 VanDerWaalsContact O-CG 3.28Å; A77-H81 PolarHBondContact O-N 3.37Å; H81-L83 VanDerWaalsContact C-N 3.3Å; H81-L83 PolarHBondContact O-N 3.32Å; H81-N85 WeakPolarHBondContact O-CB 3.41Å; H81-N85 PolarHBondContact O-N 3.31Å
82N90.3Very high86.3Confident69 Ų6964.2 Ų64.237%0.36933%0.327SS..Hα-helixtrans-63.7-35.4179.9-170.1-67000112.6L78 L79 R231L78-N82 WeakPolarHBondContact O-CB 3.19Å; L78-N82 PolarHBondContact O-N 3.18Å; L79-N82 PolarHBondContact O-N 3.38Å; N82-R231 PolarHBondContact O-NH1 3.42Å; N82-R231 PolarHBondContact O-NH2 3.08Å; N82-R231 VanDerWaalsContact OD1-CZ 3.25Å; N82-R231 PolarHBondContact OD1-NH1 3.5Å; N82-R231 PolarHBondContact OD1-NH2 3.48Å
83L91.4Very high86Confident1 Ų164.3 Ų64.31%0.00533%0.327CS..Hα-helixtrans-80.2-42.3179.5-70.5168.2000113I33 L37 L79 Y80 H81 I94 I96 L369 L373I33-L83 HydrophobicContact CG1-CD1 3.96Å; L37-L83 HydrophobicContact CD1-CD1 3.97Å; L79-L83 WeakPolarHBondContact O-CB 3.46Å; L79-L83 VanDerWaalsContact O-CG 3.26Å; L79-L83 WeakPolarHBondContact O-CG 3.31Å; L79-L83 PolarHBondContact O-N 3.01Å; Y80-L83 PolarHBondContact O-N 3.49Å; H81-L83 VanDerWaalsContact C-N 3.3Å; H81-L83 PolarHBondContact O-N 3.32Å; L83-I94 HydrophobicContact CB-CD1 4.4Å; L83-I94 HydrophobicContact CB-CG2 4.45Å; L83-I94 HydrophobicContact CD2-CD1 4.09Å; L83-I94 WeakPolarHBondContact O-CD1 3.41Å; L83-I96 HydrophobicContact CB-CD1 4.45Å; L83-I96 HydrophobicContact CD1-CD1 4.16Å; L83-L369 HydrophobicContact CD2-CD1 3.69Å; L83-L369 HydrophobicContact CG-CD1 4.04Å; L83-L373 HydrophobicContact CD2-CD2 3.54Å
84T90.4Very high85.9Confident6 Ų663.5 Ų63.54%0.03732%0.322CS..Hα-helixtrans-98.9-1.1-166.965.90000115Y80 E86 Q92 I96Y80-T84 HydrophobicContact CD1-CG2 4.41Å; Y80-T84 HydrophobicContact CD2-CG2 4.24Å; Y80-T84 HydrophobicContact CE1-CG2 4.16Å; Y80-T84 WeakPolarHBondContact CE1-OG1 3.48Å; Y80-T84 HydrophobicContact CE2-CG2 4.01Å; Y80-T84 HydrophobicContact CG-CG2 4.43Å; Y80-T84 WeakPolarHBondContact O-CB 3.31Å; Y80-T84 WeakPolarHBondContact O-CG2 3.09Å; Y80-T84 PolarHBondContact O-N 2.9Å; Y80-T84 PolarHBondContact O-OG1 2.94Å; T84-E86 VanDerWaalsContact C-N 3.34Å; T84-E86 PolarHBondContact O-N 3.06Å; T84-Q92 PolarHBondContact O-NE2 3.03Å; T84-I96 HydrophobicContact CG2-CD1 4.08Å; T84-I96 HydrophobicContact CG2-CG1 4.42Å
85N87Confident85.7Confident135 Ų13557.6 Ų57.672%0.72230%0.304SS*.  trans-73.5-23.6-177.2-170.137.5000113.5H81H81-N85 WeakPolarHBondContact O-CB 3.41Å; H81-N85 PolarHBondContact O-N 3.31Å
86E82.7Confident85.6Confident50 Ų5056.5 Ų56.523%0.23430%0.297CS..  trans-77.8133.3-179.9-170.4178.8174.500112.1T84 Q92 V93 N229 F232T84-E86 VanDerWaalsContact C-N 3.34Å; T84-E86 PolarHBondContact O-N 3.06Å; E86-Q92 WeakPolarHBondContact O-CA 3.02Å; E86-V93 HydrophobicContact CB-CB 4.23Å; E86-V93 HydrophobicContact CB-CG2 4.26Å; E86-V93 HydrophobicContact CG-CB 4.21Å; E86-V93 HydrophobicContact CG-CG2 3.74Å; E86-V93 PolarHBondContact O-N 3.04Å; E86-N229 WeakPolarHBondContact OE1-CB 3.39Å; E86-N229 PolarHBondContact OE1-ND2 2.93Å; E86-N229 PolarHBondContact OE2-ND2 3.23Å; E86-F232 WeakPolarHBondContact OE2-CE2 3.46Å
87K79.7Confident85.4Confident134 Ų13456.5 Ų56.558%0.58330%0.297SS*.EExtended strand (participates in β ladder)trans-128.6140.5178.1-61.8-178.6-178.3-178.90111.2K91 Q92K87-K91 CarbonylContact C-O 3.26Å; K87-K91 WeakPolarHBondContact CA-O 3.47Å; K87-K91 WeakPolarHBondContact CB-O 3.47Å; K87-Q92 HydrophobicContact CG-CG 4.27Å
88I71.8Confident85.3Confident50 Ų5055.2 Ų55.226%0.25629%0.287SS..EExtended strand (participates in β ladder)trans-122.7128.6170-66.2173.9000107.2G90 K91 V93I88-G90 PolarHBondContact O-N 2.95Å; I88-G90 VanDerWaalsContact O-N 3.15Å; I88-K91 PolarHBondContact N-O 2.79Å; I88-K91 PolarHBondContact O-N 3.04Å; I88-V93 HydrophobicContact CB-CG2 4.21Å; I88-V93 HydrophobicContact CD1-CG2 3.51Å; I88-V93 HydrophobicContact CG1-CG2 3.52Å
89E70.8Confident85.4Confident142 Ų14249.1 Ų49.166%0.66426%0.255SS*.THydrogen-bonded Turntrans53.237.1179.7-61.8160.1-158.500112K91 K176E89-K91 PolarHBondContact O-N 3.3Å; E89-K176 IonicContact OE1-NZ 3.98Å; E89-K176 PolarHBondContact OE1-NZ 3.43Å
90G73.5Confident85.5Confident66 Ų6648.5 Ų48.568%0.6825%0.251SS*.THydrogen-bonded Turntrans78.2-9.8-17900000115.8I88I88-G90 PolarHBondContact O-N 2.95Å; I88-G90 VanDerWaalsContact O-N 3.15Å
91K74.5Confident85.6Confident137 Ų13747.8 Ų47.860%0.59625%0.249SC*.EExtended strand (participates in β ladder)trans-98.4145.2178.2-63.4-171.4178.5-1720111.3K87 I88 E89K87-K91 CarbonylContact C-O 3.26Å; K87-K91 WeakPolarHBondContact CA-O 3.47Å; K87-K91 WeakPolarHBondContact CB-O 3.47Å; I88-K91 PolarHBondContact N-O 2.79Å; I88-K91 PolarHBondContact O-N 3.04Å; E89-K91 PolarHBondContact O-N 3.3Å
92Q80.1Confident85.8Confident64 Ų6442.8 Ų42.830%0.29923%0.226SC..EExtended strand (participates in β ladder)trans-65.4136.3177-70.3177.3-51.700110.9T84 E86 K87 I94T84-Q92 PolarHBondContact O-NE2 3.03Å; E86-Q92 WeakPolarHBondContact O-CA 3.02Å; K87-Q92 HydrophobicContact CG-CG 4.27Å; Q92-I94 VanDerWaalsContact C-N 3.32Å; Q92-I94 WeakPolarHBondContact CB-O 3.37Å
93V86.2Confident86Confident2 Ų240.9 Ų40.91%0.01222%0.215CC..SBendtrans-66.9-38.5173.1166.70000110.5E86 I88 F173 K174 F232E86-V93 HydrophobicContact CB-CB 4.23Å; E86-V93 HydrophobicContact CB-CG2 4.26Å; E86-V93 HydrophobicContact CG-CB 4.21Å; E86-V93 HydrophobicContact CG-CG2 3.74Å; E86-V93 PolarHBondContact O-N 3.04Å; I88-V93 HydrophobicContact CB-CG2 4.21Å; I88-V93 HydrophobicContact CD1-CG2 3.51Å; I88-V93 HydrophobicContact CG1-CG2 3.52Å; V93-F173 HydrophobicContact CG1-CD2 4.19Å; V93-F173 HydrophobicContact CG1-CE2 3.89Å; V93-F173 CarbonylContact O-C 3.42Å; V93-F173 VanDerWaalsContact O-CA 3.32Å; V93-F173 WeakPolarHBondContact O-CA 3.47Å; V93-K174 WeakPolarHBondContact CG1-O 3.21Å; V93-K174 PolarHBondContact O-N 2.78Å; V93-F232 HydrophobicContact CG1-CE2 4.18Å
94I89.4Confident85.8Confident0 Ų044.3 Ų44.30%023%0.233CC..EExtended strand (participates in β ladder)trans-120.7120.9172.5-65.2161.2000107.9L83 Q92 I96 L171 Y172 F173 F232 L373L83-I94 HydrophobicContact CB-CD1 4.4Å; L83-I94 HydrophobicContact CB-CG2 4.45Å; L83-I94 HydrophobicContact CD2-CD1 4.09Å; L83-I94 WeakPolarHBondContact O-CD1 3.41Å; Q92-I94 VanDerWaalsContact C-N 3.32Å; Q92-I94 WeakPolarHBondContact CB-O 3.37Å; I94-I96 HydrophobicContact CG2-CD1 4.07Å; I94-I96 HydrophobicContact CG2-CG1 3.94Å; I94-L171 HydrophobicContact CG2-CD1 4.25Å; I94-L171 HydrophobicContact CG2-CG 4.43Å; I94-Y172 WeakPolarHBondContact CA-O 3.45Å; I94-F173 HydrophobicContact CD1-CD2 4.36Å; I94-F173 HydrophobicContact CG1-CD2 3.71Å; I94-F173 HydrophobicContact CG1-CE2 4.43Å; I94-F232 HydrophobicContact CD1-CE1 3.9Å; I94-F232 HydrophobicContact CD1-CE2 4.33Å; I94-F232 HydrophobicContact CD1-CZ 3.57Å; I94-L373 HydrophobicContact CD1-CD1 3.45Å; I94-L373 VanDerWaalsContact CD1-CD1 3.45Å; I94-L373 HydrophobicContact CD1-CD2 4.28Å; I94-L373 HydrophobicContact CG1-CD1 4.07Å
95S88Confident85.5Confident27 Ų2752.6 Ų52.619%0.18927%0.271CS..EExtended strand (participates in β ladder)trans-114.2123171.7173.60000108.6Y172S95-Y172 PolarHBondContact N-O 3.07Å; S95-Y172 PolarHBondContact O-N 2.83Å
96I90.3Very high85.6Confident6 Ų646.9 Ų46.93%0.03124%0.241CC..EExtended strand (participates in β ladder)trans-113.9118.1177.8-63.8164.5000107.1L37 Y80 L83 T84 I94 T170 L171L37-I96 HydrophobicContact CD1-CD1 3.58Å; Y80-I96 HydrophobicContact CD2-CD1 4.5Å; Y80-I96 HydrophobicContact CE2-CB 4.01Å; Y80-I96 HydrophobicContact CE2-CG2 4.38Å; L83-I96 HydrophobicContact CB-CD1 4.45Å; L83-I96 HydrophobicContact CD1-CD1 4.16Å; T84-I96 HydrophobicContact CG2-CD1 4.08Å; T84-I96 HydrophobicContact CG2-CG1 4.42Å; I94-I96 HydrophobicContact CG2-CD1 4.07Å; I94-I96 HydrophobicContact CG2-CG1 3.94Å; I96-T170 WeakPolarHBondContact CA-O 3.5Å; I96-L171 HydrophobicContact CD1-CD1 4.02Å; I96-L171 HydrophobicContact CG1-CD1 3.64Å; I96-L171 HydrophobicContact CG1-CG 4Å
97G88.1Confident86Confident2 Ų252.9 Ų52.92%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-110.4128.5179.500000111N169 T170G97-N169 CarbonylContact O-C 3.55Å; G97-N169 WeakPolarHBondContact O-CA 3.28Å; G97-T170 WeakPolarHBondContact CA-OG1 3.23Å; G97-T170 PolarHBondContact N-O 2.98Å; G97-T170 PolarHBondContact O-N 2.81Å; G97-T170 PolarHBondContact O-OG1 2.86Å
98N91.4Very high86.7Confident2 Ų247.6 Ų47.61%0.01124%0.244CC..EExtended strand (participates in β ladder)trans-122120.5171.1-64.6-55.7000108.9L38 N122 D123 I168 N169L38-N98 HydrophobicContact CD1-CB 4.43Å; N98-N122 HydrophobicContact CB-CB 4.41Å; N98-N122 WeakPolarHBondContact CB-OD1 3.49Å; N98-D123 PolarHBondContact O-N 3.05Å; N98-I168 WeakPolarHBondContact CA-O 3.31Å; N98-N169 PolarHBondContact OD1-ND2 2.94Å
99G92.9Very high87.8Confident1 Ų148.3 Ų48.31%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-113.3128.3179.600000109.7D123 W142 L167 I168G99-D123 WeakPolarHBondContact CA-O 3.48Å; G99-W142 VanDerWaalsContact CA-CH2 3.43Å; G99-L167 WeakPolarHBondContact O-CA 3.47Å; G99-I168 PolarHBondContact N-O 2.64Å; G99-I168 PolarHBondContact O-N 2.99Å
100M94.7Very high88.9Confident0 Ų046.4 Ų46.40%025%0.245CC..EExtended strand (participates in β ladder)trans-115.5117.9174.4-175175.9-79.100108.8L42 L102 F112 M116 D123 V124 F125 L165 L167 I308L42-M100 HydrophobicContact CD2-CE 3.7Å; M100-L102 HydrophobicContact CG-CD1 3.61Å; M100-L102 HydrophobicContact SD-CD1 3.91Å; M100-F112 HydrophobicContact CE-CE1 4.42Å; M100-F112 HydrophobicContact CE-CZ 3.92Å; M100-F112 HydrophobicContact SD-CE1 3.76Å; M100-F112 HydrophobicContact SD-CZ 3.86Å; M100-M116 HydrophobicContact CE-CE 3.78Å; M100-M116 HydrophobicContact SD-CE 4.33Å; M100-D123 PolarHBondContact N-O 3.45Å; M100-V124 HydrophobicContact CB-CG1 4.38Å; M100-V124 HydrophobicContact CB-CG2 4.26Å; M100-V124 HydrophobicContact CG-CG1 4.47Å; M100-V124 CarbonylContact O-C 3.54Å; M100-V124 WeakPolarHBondContact O-CA 3.36Å; M100-V124 HydrophobicContact SD-CG1 4.49Å; M100-F125 PolarHBondContact O-N 3.31Å; M100-L165 HydrophobicContact CG-CD1 3.57Å; M100-L165 HydrophobicContact SD-CD1 4.25Å; M100-L167 HydrophobicContact CB-CD2 4.1Å; M100-L167 HydrophobicContact CE-CD2 3.55Å; M100-L167 HydrophobicContact CG-CD2 3.83Å; M100-I308 HydrophobicContact CE-CD1 4.47Å
101F94.6Very high89.8Confident5 Ų549.3 Ų49.32%0.02224%0.241CC..EExtended strand (participates in β ladder)trans-115.9104.4-173.9-55.6-88.9000108.6F125 V127 F129 I139 W142 L165 G166 I168F101-F125 WeakPolarHBondContact CA-O 3.43Å; F101-F125 HydrophobicContact CD1-CB 3.94Å; F101-F125 AromaticContact CD1-CD2 3.75Å; F101-F125 HydrophobicContact CD1-CD2 3.75Å; F101-F125 HydrophobicContact CD1-CG 4.23Å; F101-F125 HydrophobicContact CE1-CB 4.37Å; F101-F125 AromaticContact CE1-CD2 3.39Å; F101-F125 HydrophobicContact CE1-CD2 3.39Å; F101-F125 AromaticContact CE1-CE2 3.96Å; F101-F125 HydrophobicContact CE1-CE2 3.96Å; F101-F125 HydrophobicContact CE1-CG 4.15Å; F101-F125 HydrophobicContact CZ-CD2 4.04Å; F101-F125 HydrophobicContact CZ-CE2 4.31Å; F101-V127 HydrophobicContact CB-CG2 4.02Å; F101-V127 HydrophobicContact CD1-CG2 3.79Å; F101-V127 HydrophobicContact CG-CG2 4.4Å; F101-F129 HydrophobicContact CB-CZ 4.13Å; F101-I139 HydrophobicContact CD1-CD1 4.32Å; F101-I139 HydrophobicContact CD1-CG1 3.71Å; F101-I139 HydrophobicContact CE1-CG1 3.75Å; F101-I139 HydrophobicContact CG-CD1 4.28Å; F101-I139 HydrophobicContact CG-CG1 4.1Å; F101-I139 HydrophobicContact CZ-CG1 4.2Å; F101-W142 HydrophobicContact CE2-CE3 4.37Å; F101-W142 AromaticContact CZ-CD2 3.94Å; F101-W142 HydrophobicContact CZ-CD2 3.94Å; F101-W142 AromaticContact CZ-CE3 3.77Å; F101-W142 HydrophobicContact CZ-CE3 3.77Å; F101-W142 HydrophobicContact CZ-CG 4.27Å; F101-W142 HydrophobicContact CZ-CZ3 4.35Å; F101-L165 CarbonylContact O-C 3.56Å; F101-L165 WeakPolarHBondContact O-CA 3.17Å; F101-G166 PolarHBondContact N-O 2.88Å; F101-G166 PolarHBondContact O-N 3.42Å; F101-I168 HydrophobicContact CD2-CD1 4.13Å; F101-I168 HydrophobicContact CD2-CG1 4.2Å; F101-I168 HydrophobicContact CE2-CB 4.07Å; F101-I168 HydrophobicContact CE2-CD1 3.59Å; F101-I168 HydrophobicContact CE2-CG1 3.78Å; F101-I168 HydrophobicContact CZ-CD1 4.25Å
102L93.9Very high90.8Very high0 Ų042.9 Ų42.90%021%0.213CC..EExtended strand (participates in β ladder)trans-99.2148.2178.6-69101.9000110.8M100 N104 T106 I108 V124 F125 N126 V127 L164 L165 I308M100-L102 HydrophobicContact CG-CD1 3.61Å; M100-L102 HydrophobicContact SD-CD1 3.91Å; L102-N104 PolarHBondContact O-N 3.01Å; L102-T106 HydrophobicContact CD2-CG2 3.91Å; L102-I108 HydrophobicContact CD1-CD1 3.76Å; L102-I108 HydrophobicContact CD1-CG1 4.39Å; L102-I108 HydrophobicContact CD2-CD1 4.46Å; L102-I108 HydrophobicContact CD2-CG1 4.23Å; L102-V124 HydrophobicContact CD1-CG1 3.71Å; L102-F125 PolarHBondContact N-O 2.82Å; L102-N126 CarbonylContact O-C 3.56Å; L102-N126 WeakPolarHBondContact O-CA 3.29Å; L102-V127 PolarHBondContact O-N 3.39Å; L102-L164 CarbonylContact C-O 3.51Å; L102-L164 WeakPolarHBondContact CA-O 3.46Å; L102-L165 HydrophobicContact CD1-CD1 4.31Å; L102-L165 HydrophobicContact CD2-CD1 4.4Å; L102-L165 HydrophobicContact CG-CD1 3.89Å; L102-I308 HydrophobicContact CD2-CG2 4.14Å
103Q93.7Very high91.3Very high29 Ų2943 Ų4314%0.13622%0.215CC..EExtended strand (participates in β ladder)trans-55.6139.7170.3178.159.1-74.500110T106 V127 F129 P161 L164Q103-T106 WeakPolarHBondContact O-CB 3.46Å; Q103-T106 PolarHBondContact O-N 3.4Å; Q103-T106 PolarHBondContact O-OG1 2.95Å; Q103-V127 CarbonylContact C-O 3.4Å; Q103-V127 WeakPolarHBondContact CA-O 3.36Å; Q103-V127 PolarHBondContact OE1-O 3.2Å; Q103-F129 HydrophobicContact CB-CD2 4.12Å; Q103-F129 HydrophobicContact CB-CE2 4.5Å; Q103-P161 PolarHBondContact NE2-O 3.17Å; Q103-L164 HydrophobicContact CB-CD2 4.28Å; Q103-L164 PolarHBondContact N-O 3.41Å
104N88.9Confident91.6Very high72 Ų7246.4 Ų46.439%0.38524%0.236SC..THydrogen-bonded Turntrans-50.7152.5176.2-129.58000111.4L102 T106 N126 V127 D128L102-N104 PolarHBondContact O-N 3.01Å; N104-T106 PolarHBondContact O-N 2.9Å; N104-N126 WeakPolarHBondContact OD1-CB 3.44Å; N104-V127 PolarHBondContact N-O 3.38Å; N104-D128 HydrophobicContact CB-CB 4.27Å
105E83.7Confident91.8Very high181 Ų18147.8 Ų47.885%0.84624%0.242SC*.THydrogen-bonded Turntrans66.7-5.8-177.1-49.7177.8175.900116K107E105-K107 PolarHBondContact O-N 2.85Å; E105-K107 VanDerWaalsContact O-N 3.13Å
106T89.1Confident92Very high14 Ų1446.5 Ų46.59%0.08623%0.233CC..  trans-62.7116.9170.9-57.60000110.1L102 Q103 N104 I108 T309 V313L102-T106 HydrophobicContact CD2-CG2 3.91Å; Q103-T106 WeakPolarHBondContact O-CB 3.46Å; Q103-T106 PolarHBondContact O-N 3.4Å; Q103-T106 PolarHBondContact O-OG1 2.95Å; N104-T106 PolarHBondContact O-N 2.9Å; T106-I108 PolarHBondContact O-N 2.77Å; T106-I108 VanDerWaalsContact O-N 3.09Å; T106-T309 HydrophobicContact CG2-CG2 3.86Å; T106-V313 HydrophobicContact CG2-CG1 4.47Å
107K91.6Very high92Very high176 Ų17653.6 Ų53.677%0.76526%0.263SS*.  trans-77.496179.7-67.5-174.9-177.7178.30111.2E105 T309E105-K107 PolarHBondContact O-N 2.85Å; E105-K107 VanDerWaalsContact O-N 3.13Å; K107-T309 WeakPolarHBondContact O-CB 3.26Å; K107-T309 PolarHBondContact O-OG1 2.92Å
108I93.4Very high92Very high24 Ų2458.6 Ų58.612%0.12329%0.289CS..BIsolated β-bridgetrans-77.4135.8177.8-47.5166.4000109.9L102 T106 F112 L113 V124 I308L102-I108 HydrophobicContact CD1-CD1 3.76Å; L102-I108 HydrophobicContact CD1-CG1 4.39Å; L102-I108 HydrophobicContact CD2-CD1 4.46Å; L102-I108 HydrophobicContact CD2-CG1 4.23Å; T106-I108 PolarHBondContact O-N 2.77Å; T106-I108 VanDerWaalsContact O-N 3.09Å; I108-F112 HydrophobicContact CG2-CD1 3.7Å; I108-F112 HydrophobicContact CG2-CE1 4.39Å; I108-L113 HydrophobicContact CB-CD1 4.07Å; I108-L113 HydrophobicContact CB-CD2 4.18Å; I108-L113 HydrophobicContact CB-CG 4.02Å; I108-L113 HydrophobicContact CD1-CD2 3.93Å; I108-L113 HydrophobicContact CG2-CD1 4.21Å; I108-L113 HydrophobicContact CG2-CD2 3.71Å; I108-L113 HydrophobicContact CG2-CG 3.6Å; I108-V124 HydrophobicContact CD1-CG1 3.78Å; I108-I308 WeakPolarHBondContact CA-O 3.49Å; I108-I308 HydrophobicContact CG2-CG2 4.24Å
109K95.6Very high91.9Very high65 Ų6561.5 Ų61.528%0.28330%0.304SS..  trans-63.4127.8179.1-68.9-176.8178-178.50110.6H111 F112 L113 R306 I308 D310K109-H111 VanDerWaalsContact C-N 3.26Å; K109-H111 PolarHBondContact O-N 2.92Å; K109-F112 HydrophobicContact CB-CB 4.25Å; K109-F112 WeakPolarHBondContact O-CB 3.46Å; K109-F112 PolarHBondContact O-N 3.22Å; K109-L113 PolarHBondContact O-N 3.36Å; K109-L113 VanDerWaalsContact O-N 3.14Å; K109-R306 WeakPolarHBondContact CE-O 3.31Å; K109-R306 PolarHBondContact NZ-O 2.89Å; K109-I308 PolarHBondContact N-O 2.86Å; K109-D310 WeakPolarHBondContact CE-OD1 3.22Å; K109-D310 WeakPolarHBondContact CE-OD2 3.4Å; K109-D310 IonicContact NZ-OD1 2.77Å; K109-D310 PolarHBondContact NZ-OD1 2.83Å; K109-D310 IonicContact NZ-OD2 3.46Å
110P94.3Very high91.9Very high101 Ų10161.5 Ų61.566%0.65630%0.304SS*.Hα-helixtrans-56.9-37.2-177.6-28.735.2000114.1F112 L113 T114P110-F112 VanDerWaalsContact C-N 3.35Å; P110-F112 PolarHBondContact O-N 2.72Å; P110-L113 PolarHBondContact O-N 2.76Å; P110-T114 WeakPolarHBondContact O-CB 3.38Å; P110-T114 PolarHBondContact O-N 3.12Å; P110-T114 PolarHBondContact O-OG1 2.82Å
111H92.5Very high91.7Very high128 Ų12865.1 Ų65.159%0.59332%0.321SS*.Hα-helixtrans-63.6-39.5176.3178-103.4000112.1K109 R115K109-H111 VanDerWaalsContact C-N 3.26Å; K109-H111 PolarHBondContact O-N 2.92Å; H111-R115 VanDerWaalsContact CE1-CD 3.41Å; H111-R115 WeakPolarHBondContact CE1-CD 3.34Å; H111-R115 WeakPolarHBondContact O-CG 3.3Å; H111-R115 PolarHBondContact O-N 3Å; H111-R115 VanDerWaalsContact O-N 3.16Å
112F93.8Very high91.5Very high2 Ų265.3 Ų65.31%0.00932%0.322CS..Hα-helixtrans-64.1-50.2176.1177.2-93.4000111S45 M100 I108 K109 P110 T114 R115 M116 I308S45-F112 VanDerWaalsContact OG-CE2 3.24Å; S45-F112 WeakPolarHBondContact OG-CE2 3.46Å; M100-F112 HydrophobicContact CE-CE1 4.42Å; M100-F112 HydrophobicContact CE-CZ 3.92Å; M100-F112 HydrophobicContact SD-CE1 3.76Å; M100-F112 HydrophobicContact SD-CZ 3.86Å; I108-F112 HydrophobicContact CG2-CD1 3.7Å; I108-F112 HydrophobicContact CG2-CE1 4.39Å; K109-F112 HydrophobicContact CB-CB 4.25Å; K109-F112 WeakPolarHBondContact O-CB 3.46Å; K109-F112 PolarHBondContact O-N 3.22Å; P110-F112 VanDerWaalsContact C-N 3.35Å; P110-F112 PolarHBondContact O-N 2.72Å; F112-T114 VanDerWaalsContact C-N 3.3Å; F112-T114 PolarHBondContact O-N 3.29Å; F112-R115 PolarHBondContact O-N 2.81Å; F112-R115 VanDerWaalsContact O-N 3.11Å; F112-M116 HydrophobicContact CD1-CG 3.87Å; F112-M116 HydrophobicContact CD2-CG 4.45Å; F112-M116 HydrophobicContact CE1-CE 4.48Å; F112-M116 HydrophobicContact CE1-CG 3.44Å; F112-M116 VanDerWaalsContact CE1-CG 3.44Å; F112-M116 HydrophobicContact CE1-SD 4.23Å; F112-M116 HydrophobicContact CE2-CG 4.09Å; F112-M116 HydrophobicContact CE2-SD 4.1Å; F112-M116 HydrophobicContact CG-CG 4.35Å; F112-M116 HydrophobicContact CZ-CE 4.08Å; F112-M116 HydrophobicContact CZ-CG 3.57Å; F112-M116 HydrophobicContact CZ-SD 3.73Å; F112-M116 WeakPolarHBondContact O-CG 3.49Å; F112-M116 PolarHBondContact O-N 3.48Å; F112-I308 HydrophobicContact CD1-CG2 4.07Å; F112-I308 HydrophobicContact CD2-CG1 4.14Å; F112-I308 HydrophobicContact CE1-CB 4.46Å; F112-I308 HydrophobicContact CE1-CG1 4.31Å; F112-I308 HydrophobicContact CE1-CG2 3.81Å; F112-I308 HydrophobicContact CE2-CB 4.46Å; F112-I308 HydrophobicContact CE2-CD1 4.22Å; F112-I308 HydrophobicContact CE2-CG1 3.67Å; F112-I308 HydrophobicContact CZ-CB 4.4Å; F112-I308 HydrophobicContact CZ-CD1 3.98Å; F112-I308 HydrophobicContact CZ-CG1 3.77Å; F112-I308 HydrophobicContact CZ-CG2 4.12Å
113L92.3Very high91.4Very high66 Ų6667.7 Ų67.735%0.34634%0.335SS..Hα-helixtrans-55.3-45.1177-73176000112.4I108 K109 P110 R115 M116 K117 V124I108-L113 HydrophobicContact CB-CD1 4.07Å; I108-L113 HydrophobicContact CB-CD2 4.18Å; I108-L113 HydrophobicContact CB-CG 4.02Å; I108-L113 HydrophobicContact CD1-CD2 3.93Å; I108-L113 HydrophobicContact CG2-CD1 4.21Å; I108-L113 HydrophobicContact CG2-CD2 3.71Å; I108-L113 HydrophobicContact CG2-CG 3.6Å; K109-L113 PolarHBondContact O-N 3.36Å; K109-L113 VanDerWaalsContact O-N 3.14Å; P110-L113 PolarHBondContact O-N 2.76Å; L113-R115 VanDerWaalsContact C-N 3.31Å; L113-R115 PolarHBondContact O-N 2.84Å; L113-M116 PolarHBondContact O-N 2.58Å; L113-K117 PolarHBondContact O-N 3.08Å; L113-V124 HydrophobicContact CD2-CB 4Å; L113-V124 HydrophobicContact CD2-CG1 3.78Å; L113-V124 HydrophobicContact CD2-CG2 4.27Å
114T92.6Very high91.3Very high74 Ų7468.1 Ų68.145%0.45434%0.339SS..Hα-helixtrans-59.5-43.2179.1-58.40000111.1P110 F112 N118P110-T114 WeakPolarHBondContact O-CB 3.38Å; P110-T114 PolarHBondContact O-N 3.12Å; P110-T114 PolarHBondContact O-OG1 2.82Å; F112-T114 VanDerWaalsContact C-N 3.3Å; F112-T114 PolarHBondContact O-N 3.29Å; T114-N118 WeakPolarHBondContact CG2-ND2 3.43Å; T114-N118 WeakPolarHBondContact O-CB 3.31Å; T114-N118 VanDerWaalsContact O-CG 3.28Å; T114-N118 PolarHBondContact O-N 2.96Å
115R92.7Very high91.5Very high29 Ų2968.3 Ų68.311%0.10934%0.337CS..Hα-helixtrans-70.3-41.4178.4-67.3-170.772-137.7-4112.4G44 S45 S73 H111 F112 L113 K117 N118 I119 F120G44-R115 PolarHBondContact O-NH1 3.21Å; G44-R115 PolarHBondContact O-NH2 3.44Å; S45-R115 PolarHBondContact O-NH1 3.12Å; S73-R115 PolarHBondContact OG-NH2 2.58Å; H111-R115 VanDerWaalsContact CE1-CD 3.41Å; H111-R115 WeakPolarHBondContact CE1-CD 3.34Å; H111-R115 WeakPolarHBondContact O-CG 3.3Å; H111-R115 PolarHBondContact O-N 3Å; H111-R115 VanDerWaalsContact O-N 3.16Å; F112-R115 PolarHBondContact O-N 2.81Å; F112-R115 VanDerWaalsContact O-N 3.11Å; L113-R115 VanDerWaalsContact C-N 3.31Å; L113-R115 PolarHBondContact O-N 2.84Å; R115-K117 VanDerWaalsContact C-N 3.29Å; R115-K117 PolarHBondContact O-N 3.24Å; R115-N118 PolarHBondContact O-N 2.98Å; R115-I119 HydrophobicContact CB-CD1 4.3Å; R115-I119 HydrophobicContact CG-CD1 4.11Å; R115-I119 WeakPolarHBondContact O-CB 3.35Å; R115-I119 PolarHBondContact O-N 2.7Å; R115-F120 HydrophobicContact CB-CE2 4.47Å; R115-F120 WeakPolarHBondContact O-CD2 3.05Å; R115-F120 PolarHBondContact O-N 2.95Å
116M92.9Very high91.9Very high0 Ų063.6 Ų63.60%032%0.317CS..Hα-helixtrans-58.2-43.4176.8-69.5-58.3-81.700111.6T41 M100 F112 L113 F120 H121 N122 V124T41-M116 HydrophobicContact CG2-CE 3.69Å; T41-M116 HydrophobicContact CG2-SD 3.74Å; M100-M116 HydrophobicContact CE-CE 3.78Å; M100-M116 HydrophobicContact SD-CE 4.33Å; F112-M116 HydrophobicContact CD1-CG 3.87Å; F112-M116 HydrophobicContact CD2-CG 4.45Å; F112-M116 HydrophobicContact CE1-CE 4.48Å; F112-M116 HydrophobicContact CE1-CG 3.44Å; F112-M116 VanDerWaalsContact CE1-CG 3.44Å; F112-M116 HydrophobicContact CE1-SD 4.23Å; F112-M116 HydrophobicContact CE2-CG 4.09Å; F112-M116 HydrophobicContact CE2-SD 4.1Å; F112-M116 HydrophobicContact CG-CG 4.35Å; F112-M116 HydrophobicContact CZ-CE 4.08Å; F112-M116 HydrophobicContact CZ-CG 3.57Å; F112-M116 HydrophobicContact CZ-SD 3.73Å; F112-M116 WeakPolarHBondContact O-CG 3.49Å; F112-M116 PolarHBondContact O-N 3.48Å; L113-M116 PolarHBondContact O-N 2.58Å; M116-F120 CarbonylContact O-C 3.57Å; M116-F120 PolarHBondContact O-N 3.08Å; M116-F120 HydrophobicContact SD-CB 4.46Å; M116-F120 HydrophobicContact SD-CD2 4.27Å; M116-H121 PolarHBondContact O-N 3.09Å; M116-N122 HydrophobicContact CB-CB 4.2Å; M116-N122 HydrophobicContact CE-CB 3.5Å; M116-N122 VanDerWaalsContact CE-CB 3.5Å; M116-N122 VanDerWaalsContact CE-CG 3.4Å; M116-N122 WeakPolarHBondContact CE-OD1 3.49Å; M116-N122 PolarHBondContact O-N 3.04Å; M116-N122 HydrophobicContact SD-CB 4.45Å; M116-V124 HydrophobicContact CB-CG2 3.92Å; M116-V124 HydrophobicContact CG-CG2 4.3Å
117K89.8Confident92.1Very high154 Ų15463.5 Ų63.567%0.6732%0.317SS*.Hα-helixtrans-71.6-51.4177.3-173.3178.2-179.2178.30112.9L113 R115L113-K117 PolarHBondContact O-N 3.08Å; R115-K117 VanDerWaalsContact C-N 3.29Å; R115-K117 PolarHBondContact O-N 3.24Å
118N88.8Confident92.2Very high108 Ų10857.1 Ų57.158%0.57829%0.291SS*.Hα-helixtrans-87.3-25.6-165.8-64.3-8000114.1T114 R115T114-N118 WeakPolarHBondContact CG2-ND2 3.43Å; T114-N118 WeakPolarHBondContact O-CB 3.31Å; T114-N118 VanDerWaalsContact O-CG 3.28Å; T114-N118 PolarHBondContact O-N 2.96Å; R115-N118 PolarHBondContact O-N 2.98Å
119I89.1Confident92.3Very high63 Ų6356 Ų5632%0.32329%0.285SS..THydrogen-bonded Turntrans-110.4-46-176.7-58.2173.7000110.4F76 R115F76-I119 WeakPolarHBondContact CE1-O 3.28Å; R115-I119 HydrophobicContact CB-CD1 4.3Å; R115-I119 HydrophobicContact CG-CD1 4.11Å; R115-I119 WeakPolarHBondContact O-CB 3.35Å; R115-I119 PolarHBondContact O-N 2.7Å
120F92.1Very high92.2Very high0 Ų057.5 Ų57.50%030%0.3CS..SBendtrans-97.7-2.9-169.9-61.1-74.6000114.4T41 F76 R115 M116 N122T41-F120 HydrophobicContact CG2-CB 3.64Å; T41-F120 HydrophobicContact CG2-CD1 3.93Å; T41-F120 HydrophobicContact CG2-CD2 4.4Å; T41-F120 HydrophobicContact CG2-CG 3.73Å; F76-F120 HydrophobicContact CB-CD1 4.17Å; F76-F120 HydrophobicContact CB-CE1 3.89Å; F76-F120 AromaticContact CD1-CD1 3.46Å; F76-F120 HydrophobicContact CD1-CD1 3.46Å; F76-F120 VanDerWaalsContact CD1-CD1 3.46Å; F76-F120 AromaticContact CD1-CE1 3.91Å; F76-F120 HydrophobicContact CD1-CE1 3.91Å; F76-F120 HydrophobicContact CD1-CG 4.45Å; F76-F120 AromaticContact CD2-CD1 3.92Å; F76-F120 HydrophobicContact CD2-CD1 3.92Å; F76-F120 HydrophobicContact CD2-CE1 4.43Å; F76-F120 HydrophobicContact CE1-CB 4.26Å; F76-F120 AromaticContact CE1-CD1 3.81Å; F76-F120 HydrophobicContact CE1-CD1 3.81Å; F76-F120 HydrophobicContact CE1-CG 4.46Å; F76-F120 HydrophobicContact CE2-CD1 4.2Å; F76-F120 AromaticContact CG-CD1 3.54Å; F76-F120 HydrophobicContact CG-CD1 3.54Å; F76-F120 AromaticContact CG-CE1 3.79Å; F76-F120 HydrophobicContact CG-CE1 3.79Å; F76-F120 HydrophobicContact CZ-CB 4.26Å; F76-F120 HydrophobicContact CZ-CD1 4.15Å; F76-F120 VanDerWaalsContact CZ-O 3.31Å; F76-F120 WeakPolarHBondContact CZ-O 3.35Å; R115-F120 HydrophobicContact CB-CE2 4.47Å; R115-F120 WeakPolarHBondContact O-CD2 3.05Å; R115-F120 PolarHBondContact O-N 2.95Å; M116-F120 CarbonylContact O-C 3.57Å; M116-F120 PolarHBondContact O-N 3.08Å; M116-F120 HydrophobicContact SD-CB 4.46Å; M116-F120 HydrophobicContact SD-CD2 4.27Å; F120-N122 WeakPolarHBondContact CB-ND2 3.36Å; F120-N122 PolarHBondContact O-N 3.42Å; F120-N122 PolarHBondContact O-ND2 3.23Å
121H89.6Confident92.3Very high77 Ų7758.5 Ų58.536%0.35629%0.294SS..  trans50.234.9-179.6-54-75.9000113.3Y80 M116Y80-H121 AromaticContact CD1-CD2 3.6Å; Y80-H121 HydrophobicContact CE1-CB 4.22Å; Y80-H121 AromaticContact CE1-CD2 3.19Å; Y80-H121 WeakPolarHBondContact CE1-CD2 3.31Å; Y80-H121 AromaticContact CE1-CG 3.79Å; Y80-H121 AromaticContact CE1-NE2 3.8Å; Y80-H121 AromaticContact CZ-CD2 3.76Å; Y80-H121 AromaticContact CZ-CG 3.97Å; M116-H121 PolarHBondContact O-N 3.09Å
122N90.9Very high92.4Very high8 Ų853.7 Ų53.74%0.04328%0.276CS..  trans-92140.8179.9-87-122.3000110.5T41 N98 M116 F120T41-N122 WeakPolarHBondContact CG2-ND2 3.28Å; N98-N122 HydrophobicContact CB-CB 4.41Å; N98-N122 WeakPolarHBondContact CB-OD1 3.49Å; M116-N122 HydrophobicContact CB-CB 4.2Å; M116-N122 HydrophobicContact CE-CB 3.5Å; M116-N122 VanDerWaalsContact CE-CB 3.5Å; M116-N122 VanDerWaalsContact CE-CG 3.4Å; M116-N122 WeakPolarHBondContact CE-OD1 3.49Å; M116-N122 PolarHBondContact O-N 3.04Å; M116-N122 HydrophobicContact SD-CB 4.45Å; F120-N122 WeakPolarHBondContact CB-ND2 3.36Å; F120-N122 PolarHBondContact O-N 3.42Å; F120-N122 PolarHBondContact O-ND2 3.23Å
123D92.7Very high92.5Very high50 Ų5057 Ų5727%0.26729%0.292SS..EExtended strand (participates in β ladder)trans-89.9128.4167.9-61.3-35.4000109N98 G99 M100 F125 W142 K146N98-D123 PolarHBondContact O-N 3.05Å; G99-D123 WeakPolarHBondContact CA-O 3.48Å; M100-D123 PolarHBondContact N-O 3.45Å; D123-F125 HydrophobicContact CB-CD2 4.29Å; D123-F125 HydrophobicContact CB-CE2 3.37Å; D123-F125 HydrophobicContact CB-CZ 3.56Å; D123-W142 HydrophobicContact CB-CZ2 4.25Å; D123-W142 PolarHBondContact OD2-NE1 2.87Å; D123-K146 IonicContact OD1-NZ 3.4Å; D123-K146 WeakPolarHBondContact OD2-CE 3.49Å; D123-K146 IonicContact OD2-NZ 2.65Å; D123-K146 PolarHBondContact OD2-NZ 3.43Å
124V92.1Very high92.6Very high38 Ų3857.8 Ų57.823%0.2330%0.297CS..EExtended strand (participates in β ladder)trans-118.4122.3179.2-173.50000108.2M100 L102 I108 L113 M116M100-V124 HydrophobicContact CB-CG1 4.38Å; M100-V124 HydrophobicContact CB-CG2 4.26Å; M100-V124 HydrophobicContact CG-CG1 4.47Å; M100-V124 CarbonylContact O-C 3.54Å; M100-V124 WeakPolarHBondContact O-CA 3.36Å; M100-V124 HydrophobicContact SD-CG1 4.49Å; L102-V124 HydrophobicContact CD1-CG1 3.71Å; I108-V124 HydrophobicContact CD1-CG1 3.78Å; L113-V124 HydrophobicContact CD2-CB 4Å; L113-V124 HydrophobicContact CD2-CG1 3.78Å; L113-V124 HydrophobicContact CD2-CG2 4.27Å; M116-V124 HydrophobicContact CB-CG2 3.92Å; M116-V124 HydrophobicContact CG-CG2 4.3Å
125F92.6Very high92.7Very high76 Ų7654.5 Ų54.533%0.33328%0.277SS..EExtended strand (participates in β ladder)trans-122139-176.7-57.5-76.7000110.5M100 F101 L102 D123 V127 W142M100-F125 PolarHBondContact O-N 3.31Å; F101-F125 WeakPolarHBondContact CA-O 3.43Å; F101-F125 HydrophobicContact CD1-CB 3.94Å; F101-F125 AromaticContact CD1-CD2 3.75Å; F101-F125 HydrophobicContact CD1-CD2 3.75Å; F101-F125 HydrophobicContact CD1-CG 4.23Å; F101-F125 HydrophobicContact CE1-CB 4.37Å; F101-F125 AromaticContact CE1-CD2 3.39Å; F101-F125 HydrophobicContact CE1-CD2 3.39Å; F101-F125 AromaticContact CE1-CE2 3.96Å; F101-F125 HydrophobicContact CE1-CE2 3.96Å; F101-F125 HydrophobicContact CE1-CG 4.15Å; F101-F125 HydrophobicContact CZ-CD2 4.04Å; F101-F125 HydrophobicContact CZ-CE2 4.31Å; L102-F125 PolarHBondContact N-O 2.82Å; D123-F125 HydrophobicContact CB-CD2 4.29Å; D123-F125 HydrophobicContact CB-CE2 3.37Å; D123-F125 HydrophobicContact CB-CZ 3.56Å; F125-V127 HydrophobicContact CB-CG2 4.13Å; F125-W142 AromaticContact CE2-CD1 3.44Å; F125-W142 VanDerWaalsContact CE2-CD1 3.44Å; F125-W142 HydrophobicContact CE2-CD2 4.37Å; F125-W142 HydrophobicContact CE2-CG 4.04Å; F125-W142 AromaticContact CE2-NE1 3.41Å; F125-W142 AromaticContact CZ-CD1 3.41Å; F125-W142 VanDerWaalsContact CZ-CD1 3.41Å; F125-W142 HydrophobicContact CZ-CG 4.33Å; F125-W142 AromaticContact CZ-NE1 3.56Å
126N91.4Very high92.9Very high82 Ų8255.2 Ų55.244%0.43928%0.279SS..EExtended strand (participates in β ladder)trans-87129.8159.4-72.2-16.4000108.1L102 N104L102-N126 CarbonylContact O-C 3.56Å; L102-N126 WeakPolarHBondContact O-CA 3.29Å; N104-N126 WeakPolarHBondContact OD1-CB 3.44Å
127V93.4Very high93Very high12 Ų1260.4 Ų60.47%0.07330%0.302CS..EExtended strand (participates in β ladder)trans-129.9128.7-176179.80000108.1F101 L102 Q103 N104 F125 F129 A135F101-V127 HydrophobicContact CB-CG2 4.02Å; F101-V127 HydrophobicContact CD1-CG2 3.79Å; F101-V127 HydrophobicContact CG-CG2 4.4Å; L102-V127 PolarHBondContact O-N 3.39Å; Q103-V127 CarbonylContact C-O 3.4Å; Q103-V127 WeakPolarHBondContact CA-O 3.36Å; Q103-V127 PolarHBondContact OE1-O 3.2Å; N104-V127 PolarHBondContact N-O 3.38Å; F125-V127 HydrophobicContact CB-CG2 4.13Å; V127-F129 HydrophobicContact CB-CE1 4.34Å; V127-F129 HydrophobicContact CB-CE2 4.17Å; V127-F129 HydrophobicContact CB-CZ 4.04Å; V127-F129 HydrophobicContact CG1-CD1 4.09Å; V127-F129 HydrophobicContact CG1-CE1 3.9Å; V127-F129 HydrophobicContact CG1-CE2 4.48Å; V127-F129 HydrophobicContact CG1-CG 4.45Å; V127-F129 HydrophobicContact CG1-CZ 4.12Å; V127-F129 PolarHBondContact O-N 3.1Å; V127-A135 HydrophobicContact CG1-CB 3.35Å
128D94.4Very high93.3Very high43 Ų4357.6 Ų57.623%0.2329%0.294CS..  trans-80.693.8171.7-178.1-1.4000109.9N104 T130 K131N104-D128 HydrophobicContact CB-CB 4.27Å; D128-T130 PolarHBondContact O-N 3.49Å; D128-T130 VanDerWaalsContact OD1-CB 3.3Å; D128-T130 WeakPolarHBondContact OD1-CB 3.39Å; D128-T130 PolarHBondContact OD1-N 2.84Å; D128-T130 PolarHBondContact OD1-OG1 3.34Å; D128-T130 PolarHBondContact OD2-OG1 3.24Å; D128-K131 PolarHBondContact O-N 2.92Å; D128-K131 VanDerWaalsContact O-N 3.12Å
129F94.3Very high93.6Very high1 Ų152.6 Ų52.60%0.00427%0.268CS..THydrogen-bonded Turntrans-69.4-12.3179.2-66.5-72.2000113.3F101 Q103 V127 K131 A132 A135 I139 L159 P161 T163F101-F129 HydrophobicContact CB-CZ 4.13Å; Q103-F129 HydrophobicContact CB-CD2 4.12Å; Q103-F129 HydrophobicContact CB-CE2 4.5Å; V127-F129 HydrophobicContact CB-CE1 4.34Å; V127-F129 HydrophobicContact CB-CE2 4.17Å; V127-F129 HydrophobicContact CB-CZ 4.04Å; V127-F129 HydrophobicContact CG1-CD1 4.09Å; V127-F129 HydrophobicContact CG1-CE1 3.9Å; V127-F129 HydrophobicContact CG1-CE2 4.48Å; V127-F129 HydrophobicContact CG1-CG 4.45Å; V127-F129 HydrophobicContact CG1-CZ 4.12Å; V127-F129 PolarHBondContact O-N 3.1Å; F129-K131 PolarHBondContact O-N 2.66Å; F129-A132 PolarHBondContact O-N 3.45Å; F129-A135 HydrophobicContact CD1-CB 4.03Å; F129-A135 HydrophobicContact CE1-CB 4.46Å; F129-I139 HydrophobicContact CE1-CD1 4.09Å; F129-L159 HydrophobicContact CD1-CB 4.34Å; F129-L159 HydrophobicContact CD1-CD1 4.4Å; F129-L159 HydrophobicContact CE1-CD1 3.83Å; F129-P161 WeakPolarHBondContact O-CA 3.28Å; F129-T163 HydrophobicContact CD1-CG2 4.22Å; F129-T163 HydrophobicContact CD2-CG2 4.1Å; F129-T163 WeakPolarHBondContact CD2-O 3.39Å; F129-T163 HydrophobicContact CE1-CG2 4.01Å; F129-T163 HydrophobicContact CE2-CG2 3.86Å; F129-T163 HydrophobicContact CG-CG2 4.27Å; F129-T163 HydrophobicContact CZ-CG2 3.81Å
130T94.3Very high93.8Very high96 Ų9650.1 Ų50.159%0.58926%0.255SS*.THydrogen-bonded Turntrans-69.7-25.5172.277.90000111.4D128 A132D128-T130 PolarHBondContact O-N 3.49Å; D128-T130 VanDerWaalsContact OD1-CB 3.3Å; D128-T130 WeakPolarHBondContact OD1-CB 3.39Å; D128-T130 PolarHBondContact OD1-N 2.84Å; D128-T130 PolarHBondContact OD1-OG1 3.34Å; D128-T130 PolarHBondContact OD2-OG1 3.24Å; T130-A132 VanDerWaalsContact C-N 3.31Å; T130-A132 PolarHBondContact O-N 3.41Å
131K96Very high94Very high121 Ų12155.7 Ų55.753%0.52628%0.281SS..SBendtrans-91.363.6166.1-62.1-177.2-175.8-177.30110.4D128 F129 E133 D134 A135D128-K131 PolarHBondContact O-N 2.92Å; D128-K131 VanDerWaalsContact O-N 3.12Å; F129-K131 PolarHBondContact O-N 2.66Å; K131-E133 VanDerWaalsContact C-N 3.29Å; K131-E133 PolarHBondContact O-N 3.36Å; K131-E133 VanDerWaalsContact O-N 3.14Å; K131-D134 HydrophobicContact CB-CB 4.2Å; K131-D134 PolarHBondContact O-N 2.94Å; K131-A135 PolarHBondContact O-N 2.81Å
132A93.9Very high94.2Very high27 Ų2753.1 Ų53.122%0.22327%0.268CS..Hα-helixtrans-54.5-39.4-165.700000114.3F129 T130 R136 P158F129-A132 PolarHBondContact O-N 3.45Å; T130-A132 VanDerWaalsContact C-N 3.31Å; T130-A132 PolarHBondContact O-N 3.41Å; A132-R136 WeakPolarHBondContact O-CB 3.5Å; A132-R136 PolarHBondContact O-N 3.27Å; A132-P158 HydrophobicContact CB-CB 3.67Å
133E96Very high94.2Very high71 Ų7152.7 Ų52.733%0.33227%0.266SS..Hα-helixtrans-73.1-36.5-179.8-176.856.9-163.200113K131 R136 K137K131-E133 VanDerWaalsContact C-N 3.29Å; K131-E133 PolarHBondContact O-N 3.36Å; K131-E133 VanDerWaalsContact O-N 3.14Å; E133-R136 PolarHBondContact O-N 3.42Å; E133-R136 IonicContact OE1-CZ 2.69Å; E133-R136 IonicContact OE1-NE 2.73Å; E133-R136 PolarHBondContact OE1-NE 3.22Å; E133-R136 IonicContact OE1-NH2 2.62Å; E133-R136 PolarHBondContact OE1-NH2 2.71Å; E133-R136 IonicContact OE2-CZ 2.68Å; E133-R136 IonicContact OE2-NE 2.96Å; E133-R136 PolarHBondContact OE2-NE 2.66Å; E133-R136 IonicContact OE2-NH2 2.79Å; E133-K137 WeakPolarHBondContact O-CG 3.26Å; E133-K137 PolarHBondContact O-N 2.87Å; E133-K137 WeakPolarHBondContact OE1-CE 3.4Å
134D95.8Very high94.1Very high84 Ų8451.2 Ų51.245%0.44926%0.259SS..Hα-helixtrans-67.9-43.2174.5-67.2-21.7000110.3K131 R136 K137 N138K131-D134 HydrophobicContact CB-CB 4.2Å; K131-D134 PolarHBondContact O-N 2.94Å; D134-R136 VanDerWaalsContact C-N 3.34Å; D134-R136 PolarHBondContact O-N 2.94Å; D134-K137 PolarHBondContact O-N 2.68Å; D134-N138 WeakPolarHBondContact O-CB 2.87Å; D134-N138 PolarHBondContact O-N 3.26Å; D134-N138 PolarHBondContact O-ND2 3.37Å
135A94.5Very high94Very high4 Ų453.7 Ų53.73%0.03327%0.271CS..Hα-helixtrans-56.4-47.5173.100000111.5V127 F129 K131 N138 I139V127-A135 HydrophobicContact CG1-CB 3.35Å; F129-A135 HydrophobicContact CD1-CB 4.03Å; F129-A135 HydrophobicContact CE1-CB 4.46Å; K131-A135 PolarHBondContact O-N 2.81Å; A135-N138 PolarHBondContact O-N 3.02Å; A135-I139 WeakPolarHBondContact O-CB 3.46Å; A135-I139 VanDerWaalsContact O-CG1 3.26Å; A135-I139 WeakPolarHBondContact O-CG1 3.33Å; A135-I139 PolarHBondContact O-N 3.18Å
136R95.4Very high93.7Very high45 Ų4553.2 Ų53.217%0.1727%0.269CS..Hα-helixtrans-59.6-47177.5-168.9-170.771.785.40.3111.9A132 E133 D134 N140 L155 K156 E157A132-R136 WeakPolarHBondContact O-CB 3.5Å; A132-R136 PolarHBondContact O-N 3.27Å; E133-R136 PolarHBondContact O-N 3.42Å; E133-R136 IonicContact OE1-CZ 2.69Å; E133-R136 IonicContact OE1-NE 2.73Å; E133-R136 PolarHBondContact OE1-NE 3.22Å; E133-R136 IonicContact OE1-NH2 2.62Å; E133-R136 PolarHBondContact OE1-NH2 2.71Å; E133-R136 IonicContact OE2-CZ 2.68Å; E133-R136 IonicContact OE2-NE 2.96Å; E133-R136 PolarHBondContact OE2-NE 2.66Å; E133-R136 IonicContact OE2-NH2 2.79Å; D134-R136 VanDerWaalsContact C-N 3.34Å; D134-R136 PolarHBondContact O-N 2.94Å; R136-N140 PolarHBondContact NH1-ND2 2.83Å; R136-N140 WeakPolarHBondContact O-CB 3.38Å; R136-N140 PolarHBondContact O-N 2.8Å; R136-N140 PolarHBondContact O-ND2 2.81Å; R136-L155 HydrophobicContact CG-CB 3.78Å; R136-L155 PolarHBondContact NH1-O 3.45Å; R136-L155 VanDerWaalsContact NH1-O 3.09Å; R136-K156 PolarHBondContact NH1-O 3.5Å; R136-E157 VanDerWaalsContact CD-C 3.43Å
137K96.2Very high93.2Very high109 Ų10949.4 Ų49.447%0.47425%0.249SC..Hα-helixtrans-62.7-48178.6-75.1175.4-176.2170.70112E133 D134 I139 N140 E141E133-K137 WeakPolarHBondContact O-CG 3.26Å; E133-K137 PolarHBondContact O-N 2.87Å; E133-K137 WeakPolarHBondContact OE1-CE 3.4Å; D134-K137 PolarHBondContact O-N 2.68Å; K137-I139 VanDerWaalsContact C-N 3.32Å; K137-I139 PolarHBondContact O-N 2.69Å; K137-N140 PolarHBondContact O-N 3.26Å; K137-E141 WeakPolarHBondContact O-CB 3.36Å; K137-E141 PolarHBondContact O-N 3.01Å
138N95.3Very high92.7Very high95 Ų9551.2 Ų51.251%0.50826%0.262SS..Hα-helixtrans-61.8-40.7-179.8-68.2-15.8000111.8D134 A135 W142D134-N138 WeakPolarHBondContact O-CB 2.87Å; D134-N138 PolarHBondContact O-N 3.26Å; D134-N138 PolarHBondContact O-ND2 3.37Å; A135-N138 PolarHBondContact O-N 3.02Å; N138-W142 WeakPolarHBondContact O-CB 3.34Å; N138-W142 PolarHBondContact O-N 3.26Å
139I94.6Very high92.3Very high3 Ų354.9 Ų54.92%0.01528%0.278CS..Hα-helixtrans-64.6-47.7175.7-73.8169.1000111.1F101 F129 A135 K137 E141 W142 V143 V154 L155 L159 I168F101-I139 HydrophobicContact CD1-CD1 4.32Å; F101-I139 HydrophobicContact CD1-CG1 3.71Å; F101-I139 HydrophobicContact CE1-CG1 3.75Å; F101-I139 HydrophobicContact CG-CD1 4.28Å; F101-I139 HydrophobicContact CG-CG1 4.1Å; F101-I139 HydrophobicContact CZ-CG1 4.2Å; F129-I139 HydrophobicContact CE1-CD1 4.09Å; A135-I139 WeakPolarHBondContact O-CB 3.46Å; A135-I139 VanDerWaalsContact O-CG1 3.26Å; A135-I139 WeakPolarHBondContact O-CG1 3.33Å; A135-I139 PolarHBondContact O-N 3.18Å; K137-I139 VanDerWaalsContact C-N 3.32Å; K137-I139 PolarHBondContact O-N 2.69Å; I139-E141 VanDerWaalsContact C-N 3.34Å; I139-E141 PolarHBondContact O-N 2.75Å; I139-W142 PolarHBondContact O-N 3.22Å; I139-V143 PolarHBondContact O-N 2.94Å; I139-V154 HydrophobicContact CG2-CG1 3.95Å; I139-L155 HydrophobicContact CB-CD1 4.04Å; I139-L155 HydrophobicContact CD1-CD1 3.84Å; I139-L155 HydrophobicContact CG2-CD1 3.6Å; I139-L155 HydrophobicContact CG2-CG 4.09Å; I139-L159 HydrophobicContact CD1-CD1 4.24Å; I139-I168 HydrophobicContact CG2-CD1 3.2Å
140N95Very high91.7Very high11 Ų1156.6 Ų56.66%0.05929%0.287CS..Hα-helixtrans-62-41.3177.7-78.3-27.9000112R136 K137 V143 S144 V154 L155R136-N140 PolarHBondContact NH1-ND2 2.83Å; R136-N140 WeakPolarHBondContact O-CB 3.38Å; R136-N140 PolarHBondContact O-N 2.8Å; R136-N140 PolarHBondContact O-ND2 2.81Å; K137-N140 PolarHBondContact O-N 3.26Å; N140-V143 PolarHBondContact O-N 2.97Å; N140-S144 VanDerWaalsContact O-CB 3.27Å; N140-S144 WeakPolarHBondContact O-CB 3.24Å; N140-S144 PolarHBondContact O-N 2.94Å; N140-V154 WeakPolarHBondContact OD1-CG1 3.35Å; N140-V154 PolarHBondContact OD1-N 3.1Å; N140-L155 PolarHBondContact ND2-O 3.34Å; N140-L155 PolarHBondContact OD1-N 3.45Å
141E95.5Very high91.3Very high116 Ų11652.2 Ų52.254%0.54226%0.26SS..Hα-helixtrans-62.9-43.3176.2-175.8175.8-175.200111.5K137 I139 V143 S144 N145K137-E141 WeakPolarHBondContact O-CB 3.36Å; K137-E141 PolarHBondContact O-N 3.01Å; I139-E141 VanDerWaalsContact C-N 3.34Å; I139-E141 PolarHBondContact O-N 2.75Å; E141-V143 PolarHBondContact O-N 3.25Å; E141-S144 PolarHBondContact O-N 3.24Å; E141-N145 WeakPolarHBondContact O-CB 3.43Å; E141-N145 VanDerWaalsContact O-CG 3.23Å; E141-N145 PolarHBondContact O-N 2.78Å; E141-N145 PolarHBondContact O-ND2 2.9Å
142W94.4Very high90.8Very high23 Ų2350 Ų509%0.08726%0.258CS..Hα-helixtrans-60.1-46.8175.2179.687000111.8G99 F101 D123 F125 N138 I139 N145 K146 I168 T170G99-W142 VanDerWaalsContact CA-CH2 3.43Å; F101-W142 HydrophobicContact CE2-CE3 4.37Å; F101-W142 AromaticContact CZ-CD2 3.94Å; F101-W142 HydrophobicContact CZ-CD2 3.94Å; F101-W142 AromaticContact CZ-CE3 3.77Å; F101-W142 HydrophobicContact CZ-CE3 3.77Å; F101-W142 HydrophobicContact CZ-CG 4.27Å; F101-W142 HydrophobicContact CZ-CZ3 4.35Å; D123-W142 HydrophobicContact CB-CZ2 4.25Å; D123-W142 PolarHBondContact OD2-NE1 2.87Å; F125-W142 AromaticContact CE2-CD1 3.44Å; F125-W142 VanDerWaalsContact CE2-CD1 3.44Å; F125-W142 HydrophobicContact CE2-CD2 4.37Å; F125-W142 HydrophobicContact CE2-CG 4.04Å; F125-W142 AromaticContact CE2-NE1 3.41Å; F125-W142 AromaticContact CZ-CD1 3.41Å; F125-W142 VanDerWaalsContact CZ-CD1 3.41Å; F125-W142 HydrophobicContact CZ-CG 4.33Å; F125-W142 AromaticContact CZ-NE1 3.56Å; N138-W142 WeakPolarHBondContact O-CB 3.34Å; N138-W142 PolarHBondContact O-N 3.26Å; I139-W142 PolarHBondContact O-N 3.22Å; W142-N145 PolarHBondContact O-N 2.93Å; W142-K146 HydrophobicContact CD2-CG 4.01Å; W142-K146 HydrophobicContact CE3-CG 4.37Å; W142-K146 HydrophobicContact CH2-CG 4.1Å; W142-K146 HydrophobicContact CZ2-CD 4.19Å; W142-K146 HydrophobicContact CZ2-CG 3.74Å; W142-K146 HydrophobicContact CZ3-CG 4.41Å; W142-K146 VanDerWaalsContact NE1-CE 3.34Å; W142-K146 VanDerWaalsContact O-CG 3.31Å; W142-K146 WeakPolarHBondContact O-CG 3.46Å; W142-K146 PolarHBondContact O-N 2.82Å; W142-I168 HydrophobicContact CZ3-CB 4.19Å; W142-I168 HydrophobicContact CZ3-CG2 4.18Å; W142-T170 HydrophobicContact CZ3-CG2 4.44Å
143V90.8Very high90.5Very high0 Ų052.1 Ų52.10%027%0.268CS..Hα-helixtrans-63.2-44.7177.4170.90000111.5I139 N140 E141 N145 K146 T147 I151 V154 I168 T170I139-V143 PolarHBondContact O-N 2.94Å; N140-V143 PolarHBondContact O-N 2.97Å; E141-V143 PolarHBondContact O-N 3.25Å; V143-N145 VanDerWaalsContact C-N 3.33Å; V143-N145 PolarHBondContact O-N 2.96Å; V143-K146 PolarHBondContact O-N 3.19Å; V143-T147 HydrophobicContact CG1-CG2 4.3Å; V143-T147 WeakPolarHBondContact O-CB 3.2Å; V143-T147 WeakPolarHBondContact O-CG2 3.31Å; V143-T147 PolarHBondContact O-N 3Å; V143-T147 PolarHBondContact O-OG1 3.46Å; V143-I151 HydrophobicContact CG1-CB 3.95Å; V143-I151 HydrophobicContact CG1-CG2 3.84Å; V143-V154 HydrophobicContact CB-CB 4.44Å; V143-V154 HydrophobicContact CB-CG1 3.92Å; V143-V154 HydrophobicContact CG1-CB 4.23Å; V143-V154 HydrophobicContact CG1-CG1 4.25Å; V143-V154 HydrophobicContact CG2-CB 4.21Å; V143-V154 HydrophobicContact CG2-CG1 3.53Å; V143-I168 HydrophobicContact CG2-CD1 4.27Å; V143-I168 HydrophobicContact CG2-CG2 3.69Å; V143-T170 HydrophobicContact CG1-CG2 4.02Å; V143-T170 HydrophobicContact CG2-CG2 4.3Å
144S90.7Very high90.2Very high18 Ų1849.3 Ų49.313%0.12626%0.255CS..Hα-helixtrans-55.9-49.2176.1-176.10000110.5N140 E141 K146 T147 S148 H149 I151N140-S144 VanDerWaalsContact O-CB 3.27Å; N140-S144 WeakPolarHBondContact O-CB 3.24Å; N140-S144 PolarHBondContact O-N 2.94Å; E141-S144 PolarHBondContact O-N 3.24Å; S144-K146 PolarHBondContact O-N 3.45Å; S144-T147 CarbonylContact O-C 3.53Å; S144-T147 PolarHBondContact O-N 2.88Å; S144-T147 PolarHBondContact O-OG1 3.07Å; S144-S148 PolarHBondContact O-N 3.33Å; S144-H149 WeakPolarHBondContact O-CA 3.48Å; S144-H149 PolarHBondContact O-N 3.14Å; S144-H149 PolarHBondContact OG-ND1 2.86Å; S144-I151 WeakPolarHBondContact CA-O 3.36Å; S144-I151 PolarHBondContact N-O 3.3Å
145N90.2Very high90Very high91 Ų9145.9 Ų45.949%0.48724%0.237SC..Hα-helixtrans-63.6-40.3178.6-70.9-24.3000112.7E141 W142 V143 T147 H149E141-N145 WeakPolarHBondContact O-CB 3.43Å; E141-N145 VanDerWaalsContact O-CG 3.23Å; E141-N145 PolarHBondContact O-N 2.78Å; E141-N145 PolarHBondContact O-ND2 2.9Å; W142-N145 PolarHBondContact O-N 2.93Å; V143-N145 VanDerWaalsContact C-N 3.33Å; V143-N145 PolarHBondContact O-N 2.96Å; N145-T147 VanDerWaalsContact C-N 3.25Å; N145-T147 PolarHBondContact O-N 3.46Å; N145-H149 PolarHBondContact OD1-CE1 3.36Å; N145-H149 VanDerWaalsContact OD1-CE1 3.3Å
146K86.3Confident89.8Confident65 Ų6554 Ų5428%0.28327%0.271SS..Hα-helixtrans-69.5-22.2178.3-70.7-67.9178.7173.40113.8D123 W142 V143 S144D123-K146 IonicContact OD1-NZ 3.4Å; D123-K146 WeakPolarHBondContact OD2-CE 3.49Å; D123-K146 IonicContact OD2-NZ 2.65Å; D123-K146 PolarHBondContact OD2-NZ 3.43Å; W142-K146 HydrophobicContact CD2-CG 4.01Å; W142-K146 HydrophobicContact CE3-CG 4.37Å; W142-K146 HydrophobicContact CH2-CG 4.1Å; W142-K146 HydrophobicContact CZ2-CD 4.19Å; W142-K146 HydrophobicContact CZ2-CG 3.74Å; W142-K146 HydrophobicContact CZ3-CG 4.41Å; W142-K146 VanDerWaalsContact NE1-CE 3.34Å; W142-K146 VanDerWaalsContact O-CG 3.31Å; W142-K146 WeakPolarHBondContact O-CG 3.46Å; W142-K146 PolarHBondContact O-N 2.82Å; V143-K146 PolarHBondContact O-N 3.19Å; S144-K146 PolarHBondContact O-N 3.45Å
147T81.2Confident89.7Confident3 Ų358.9 Ų58.92%0.01830%0.296CS..THydrogen-bonded Turntrans-109.417.6-176.160.70000112.8V143 S144 N145 H149 L150 I151 T170V143-T147 HydrophobicContact CG1-CG2 4.3Å; V143-T147 WeakPolarHBondContact O-CB 3.2Å; V143-T147 WeakPolarHBondContact O-CG2 3.31Å; V143-T147 PolarHBondContact O-N 3Å; V143-T147 PolarHBondContact O-OG1 3.46Å; S144-T147 CarbonylContact O-C 3.53Å; S144-T147 PolarHBondContact O-N 2.88Å; S144-T147 PolarHBondContact O-OG1 3.07Å; N145-T147 VanDerWaalsContact C-N 3.25Å; N145-T147 PolarHBondContact O-N 3.46Å; T147-H149 PolarHBondContact O-N 2.96Å; T147-L150 WeakPolarHBondContact O-CB 3.34Å; T147-L150 PolarHBondContact O-N 3.3Å; T147-I151 HydrophobicContact CG2-CB 4.24Å; T147-I151 HydrophobicContact CG2-CD1 3.85Å; T147-I151 HydrophobicContact CG2-CG1 4.04Å; T147-I151 PolarHBondContact OG1-N 3.31Å; T147-T170 HydrophobicContact CG2-CG2 4.01Å
148S81.8Confident89.5Confident50 Ų5056.2 Ų56.235%0.3529%0.29SS..THydrogen-bonded Turntrans50.438.1-175.3-50.60000113.2S144 L150 Y172S144-S148 PolarHBondContact O-N 3.33Å; S148-L150 PolarHBondContact O-N 2.62Å; S148-Y172 WeakPolarHBondContact OG-CE2 3.26Å
149H86.3Confident89.4Confident120 Ų12053.1 Ų53.156%0.55627%0.273SS*.THydrogen-bonded Turntrans68.311.9-180-44.5-65.8000115.6S144 N145 T147 I151S144-H149 WeakPolarHBondContact O-CA 3.48Å; S144-H149 PolarHBondContact O-N 3.14Å; S144-H149 PolarHBondContact OG-ND1 2.86Å; N145-H149 PolarHBondContact OD1-CE1 3.36Å; N145-H149 VanDerWaalsContact OD1-CE1 3.3Å; T147-H149 PolarHBondContact O-N 2.96Å; H149-I151 VanDerWaalsContact C-N 3.29Å
150L81.6Confident89.3Confident37 Ų3756.3 Ų56.319%0.19429%0.294CS..SBendtrans-69.9-28.4173.6-69-173.9000112.8T147 S148 P152 Y172 A323 K325 E332T147-L150 WeakPolarHBondContact O-CB 3.34Å; T147-L150 PolarHBondContact O-N 3.3Å; S148-L150 PolarHBondContact O-N 2.62Å; L150-P152 WeakPolarHBondContact O-CD 3.39Å; L150-Y172 HydrophobicContact CD1-CE2 4.47Å; L150-A323 HydrophobicContact CB-CB 3.67Å; L150-A323 HydrophobicContact CD1-CB 4Å; L150-K325 HydrophobicContact CD2-CD 4.26Å; L150-E332 HydrophobicContact CD1-CG 4.4Å; L150-E332 WeakPolarHBondContact CD1-OE2 3.25Å
151I85.4Confident89.1Confident4 Ų459.3 Ų59.32%0.02131%0.314CS..  trans-11880.6177-48.3-176.7000108.4V143 S144 T147 H149 T153 S321 V322 A323V143-I151 HydrophobicContact CG1-CB 3.95Å; V143-I151 HydrophobicContact CG1-CG2 3.84Å; S144-I151 WeakPolarHBondContact CA-O 3.36Å; S144-I151 PolarHBondContact N-O 3.3Å; T147-I151 HydrophobicContact CG2-CB 4.24Å; T147-I151 HydrophobicContact CG2-CD1 3.85Å; T147-I151 HydrophobicContact CG2-CG1 4.04Å; T147-I151 PolarHBondContact OG1-N 3.31Å; H149-I151 VanDerWaalsContact C-N 3.29Å; I151-T153 VanDerWaalsContact C-N 3.26Å; I151-T153 PolarHBondContact O-N 2.69Å; I151-S321 VanDerWaalsContact CD1-C 3.48Å; I151-V322 VanDerWaalsContact CD1-C 3.46Å; I151-A323 HydrophobicContact CD1-CB 4.07Å; I151-A323 HydrophobicContact CG1-CB 3.74Å
152P86Confident88.9Confident75 Ų7558.5 Ų58.549%0.48732%0.318SS..SBendtrans-70.1-24.5-177.628.1-35.3000112.9L150L150-P152 WeakPolarHBondContact O-CD 3.39Å
153T88.2Confident88.9Confident70 Ų7057.5 Ų57.543%0.42931%0.314SS..  trans-138.1114-176.4-54.90000110I151 L155 K156I151-T153 VanDerWaalsContact C-N 3.26Å; I151-T153 PolarHBondContact O-N 2.69Å; T153-L155 WeakPolarHBondContact CG2-O 3.41Å; T153-K156 HydrophobicContact CG2-CG 4.28Å
154V89.4Confident88.9Confident12 Ų1259.9 Ų59.97%0.07333%0.326CS..SBendtrans-96.2-41.9167.853.30000111I139 N140 V143 I168 Q319 S321I139-V154 HydrophobicContact CG2-CG1 3.95Å; N140-V154 WeakPolarHBondContact OD1-CG1 3.35Å; N140-V154 PolarHBondContact OD1-N 3.1Å; V143-V154 HydrophobicContact CB-CB 4.44Å; V143-V154 HydrophobicContact CB-CG1 3.92Å; V143-V154 HydrophobicContact CG1-CB 4.23Å; V143-V154 HydrophobicContact CG1-CG1 4.25Å; V143-V154 HydrophobicContact CG2-CB 4.21Å; V143-V154 HydrophobicContact CG2-CG1 3.53Å; V154-I168 HydrophobicContact CG1-CD1 4.34Å; V154-Q319 HydrophobicContact CG2-CB 3.9Å; V154-Q319 HydrophobicContact CG2-CG 4.09Å; V154-S321 VanDerWaalsContact CG2-OG 3.31Å; V154-S321 WeakPolarHBondContact CG2-OG 3.38Å
155L91.3Very high89.1Confident12 Ų1259 Ų596%0.06332%0.321CS..  trans-102.6103.4178-62.3179.6000109.3R136 I139 N140 T153 L159R136-L155 HydrophobicContact CG-CB 3.78Å; R136-L155 PolarHBondContact NH1-O 3.45Å; R136-L155 VanDerWaalsContact NH1-O 3.09Å; I139-L155 HydrophobicContact CB-CD1 4.04Å; I139-L155 HydrophobicContact CD1-CD1 3.84Å; I139-L155 HydrophobicContact CG2-CD1 3.6Å; I139-L155 HydrophobicContact CG2-CG 4.09Å; N140-L155 PolarHBondContact ND2-O 3.34Å; N140-L155 PolarHBondContact OD1-N 3.45Å; T153-L155 WeakPolarHBondContact CG2-O 3.41Å; L155-L159 HydrophobicContact CD1-CD1 3.76Å; L155-L159 HydrophobicContact CD1-CD2 4.46Å; L155-L159 HydrophobicContact CD1-CG 3.88Å; L155-L159 HydrophobicContact CD2-CD2 4.09Å; L155-L159 HydrophobicContact CD2-CG 4.41Å
156K91Very high89.3Confident175 Ų17554.9 Ų54.976%0.76130%0.299SS*.SBendtrans-67.3-47.3174.2-66.1-178.5-178.2176.20110.6R136 T153R136-K156 PolarHBondContact NH1-O 3.5Å; T153-K156 HydrophobicContact CG2-CG 4.28Å
157E92.9Very high89.7Confident147 Ų14751.8 Ų51.869%0.68729%0.285SS*.SBendtrans-107.6154.6177.4-61.5-56.5145.900111.6R136R136-E157 VanDerWaalsContact CD-C 3.43Å
158P92.1Very high90.4Very high54 Ų5451.7 Ų51.735%0.35129%0.285SS..PPolyproline II helixtrans-63.2149.5174.1-19.431.2000112.5A132A132-P158 HydrophobicContact CB-CB 3.67Å
159L92.7Very high91Very high29 Ų2949.3 Ų49.315%0.15227%0.268CS..PPolyproline II helixtrans-77.4153.2173.1-64.4173.1000110.9F129 I139 L155 T163 V317F129-L159 HydrophobicContact CD1-CB 4.34Å; F129-L159 HydrophobicContact CD1-CD1 4.4Å; F129-L159 HydrophobicContact CE1-CD1 3.83Å; I139-L159 HydrophobicContact CD1-CD1 4.24Å; L155-L159 HydrophobicContact CD1-CD1 3.76Å; L155-L159 HydrophobicContact CD1-CD2 4.46Å; L155-L159 HydrophobicContact CD1-CG 3.88Å; L155-L159 HydrophobicContact CD2-CD2 4.09Å; L155-L159 HydrophobicContact CD2-CG 4.41Å; L159-T163 HydrophobicContact CD1-CG2 4.44Å; L159-V317 HydrophobicContact CD1-CG2 3.76Å; L159-V317 HydrophobicContact CD2-CG1 4.45Å; L159-V317 HydrophobicContact CD2-CG2 3.49Å; L159-V317 VanDerWaalsContact CD2-CG2 3.49Å; L159-V317 HydrophobicContact CG-CG2 4.21Å
160P92.9Very high91.3Very high70 Ų7043.7 Ų43.746%0.45524%0.242SC..PPolyproline II helixtrans-57.9146176.6-24.333.9000112.1T162 T163P160-T162 PolarHBondContact O-N 2.86Å; P160-T162 VanDerWaalsContact O-N 3.08Å; P160-T163 VanDerWaalsContact O-CB 3.28Å; P160-T163 WeakPolarHBondContact O-CB 3.47Å; P160-T163 PolarHBondContact O-N 3.14Å; P160-T163 PolarHBondContact O-OG1 3.33Å
161P91.1Very high91.7Very high74 Ų7442 Ų4248%0.48123%0.233SC..THydrogen-bonded Turntrans-64.8-16.6179.227.6-35.9000113.5Q103 F129 T163Q103-P161 PolarHBondContact NE2-O 3.17Å; F129-P161 WeakPolarHBondContact O-CA 3.28Å; P161-T163 VanDerWaalsContact C-N 3.28Å
162T91.2Very high91.8Very high100 Ų10042.5 Ų42.561%0.61324%0.235SC*.THydrogen-bonded Turntrans-84.85.6174.555.90000113.4P160 L164 Q316P160-T162 PolarHBondContact O-N 2.86Å; P160-T162 VanDerWaalsContact O-N 3.08Å; T162-L164 PolarHBondContact O-N 3Å; T162-Q316 PolarHBondContact O-NE2 2.91Å; T162-Q316 VanDerWaalsContact O-NE2 3.16Å; T162-Q316 PolarHBondContact O-OE1 3.02Å
163T93Very high91.9Very high1 Ų139.2 Ų39.21%0.00621%0.213CC..  trans-65.2129.3175.4-57.40000110.1F129 L159 P160 P161 Q316 V317F129-T163 HydrophobicContact CD1-CG2 4.22Å; F129-T163 HydrophobicContact CD2-CG2 4.1Å; F129-T163 WeakPolarHBondContact CD2-O 3.39Å; F129-T163 HydrophobicContact CE1-CG2 4.01Å; F129-T163 HydrophobicContact CE2-CG2 3.86Å; F129-T163 HydrophobicContact CG-CG2 4.27Å; F129-T163 HydrophobicContact CZ-CG2 3.81Å; L159-T163 HydrophobicContact CD1-CG2 4.44Å; P160-T163 VanDerWaalsContact O-CB 3.28Å; P160-T163 WeakPolarHBondContact O-CB 3.47Å; P160-T163 PolarHBondContact O-N 3.14Å; P160-T163 PolarHBondContact O-OG1 3.33Å; P161-T163 VanDerWaalsContact C-N 3.28Å; T163-Q316 HydrophobicContact CG2-CB 4.37Å; T163-V317 HydrophobicContact CG2-CG2 4.4Å
164L92Very high91.9Very high50 Ų5037.1 Ų37.126%0.26220%0.198SC..  trans-107.3-37.5-178.3-63175.3000112.6L102 Q103 T162 V313L102-L164 CarbonylContact C-O 3.51Å; L102-L164 WeakPolarHBondContact CA-O 3.46Å; Q103-L164 HydrophobicContact CB-CD2 4.28Å; Q103-L164 PolarHBondContact N-O 3.41Å; T162-L164 PolarHBondContact O-N 3Å; L164-V313 HydrophobicContact CB-CB 4.35Å; L164-V313 HydrophobicContact CB-CG1 4.18Å; L164-V313 HydrophobicContact CD1-CG1 4.45Å
165L94.4Very high91.9Very high1 Ų136.8 Ų36.81%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-150.8121.4-177171.362.2000110.6M100 F101 L102 L167 L305 V315 Q316M100-L165 HydrophobicContact CG-CD1 3.57Å; M100-L165 HydrophobicContact SD-CD1 4.25Å; F101-L165 CarbonylContact O-C 3.56Å; F101-L165 WeakPolarHBondContact O-CA 3.17Å; L102-L165 HydrophobicContact CD1-CD1 4.31Å; L102-L165 HydrophobicContact CD2-CD1 4.4Å; L102-L165 HydrophobicContact CG-CD1 3.89Å; L165-L167 HydrophobicContact CD1-CD2 4.16Å; L165-L305 HydrophobicContact CD2-CD1 3.64Å; L165-V315 HydrophobicContact CD2-CG2 3.61Å; L165-V315 HydrophobicContact CG-CG2 4.06Å; L165-Q316 PolarHBondContact O-N 3.48Å
166G94.2Very high91.9Very high3 Ų339.4 Ų39.43%0.03121%0.208CC..EExtended strand (participates in β ladder)trans-115.3143.7169.200000111.7F101 V317F101-G166 PolarHBondContact N-O 2.88Å; F101-G166 PolarHBondContact O-N 3.42Å; G166-V317 CarbonylContact C-O 3.57Å; G166-V317 WeakPolarHBondContact CA-O 3.33Å
167L96Very high92.1Very high0 Ų031.3 Ų31.30%017%0.173CC..EExtended strand (participates in β ladder)trans-122.5131.5175.9-63.3178.7000109L42 G99 M100 L165 V315 V317 L318 Q319L42-L167 HydrophobicContact CD1-CD1 3.73Å; L42-L167 HydrophobicContact CD2-CD1 4.18Å; L42-L167 HydrophobicContact CG-CD1 4.46Å; G99-L167 WeakPolarHBondContact O-CA 3.47Å; M100-L167 HydrophobicContact CB-CD2 4.1Å; M100-L167 HydrophobicContact CE-CD2 3.55Å; M100-L167 HydrophobicContact CG-CD2 3.83Å; L165-L167 HydrophobicContact CD1-CD2 4.16Å; L167-V315 HydrophobicContact CD1-CG1 4.1Å; L167-V315 HydrophobicContact CD1-CG2 3.79Å; L167-V315 HydrophobicContact CG-CG1 4.25Å; L167-V315 HydrophobicContact CG-CG2 4.31Å; L167-V317 PolarHBondContact N-O 2.86Å; L167-L318 HydrophobicContact CB-CD1 3.5Å; L167-L318 HydrophobicContact CD1-CD1 4.2Å; L167-L318 VanDerWaalsContact O-CA 3.31Å; L167-L318 WeakPolarHBondContact O-CA 3.39Å; L167-Q319 PolarHBondContact O-N 2.99Å
168I94.8Very high92.1Very high2 Ų230.3 Ų30.31%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-130.1121.9175.4-52.2178.2000108.9N98 G99 F101 I139 W142 V143 V154 T170 Q319N98-I168 WeakPolarHBondContact CA-O 3.31Å; G99-I168 PolarHBondContact N-O 2.64Å; G99-I168 PolarHBondContact O-N 2.99Å; F101-I168 HydrophobicContact CD2-CD1 4.13Å; F101-I168 HydrophobicContact CD2-CG1 4.2Å; F101-I168 HydrophobicContact CE2-CB 4.07Å; F101-I168 HydrophobicContact CE2-CD1 3.59Å; F101-I168 HydrophobicContact CE2-CG1 3.78Å; F101-I168 HydrophobicContact CZ-CD1 4.25Å; I139-I168 HydrophobicContact CG2-CD1 3.2Å; W142-I168 HydrophobicContact CZ3-CB 4.19Å; W142-I168 HydrophobicContact CZ3-CG2 4.18Å; V143-I168 HydrophobicContact CG2-CD1 4.27Å; V143-I168 HydrophobicContact CG2-CG2 3.69Å; V154-I168 HydrophobicContact CG1-CD1 4.34Å; I168-T170 HydrophobicContact CG2-CG2 4.25Å; I168-Q319 CarbonylContact C-O 3.49Å; I168-Q319 WeakPolarHBondContact CA-O 3.44Å; I168-Q319 HydrophobicContact CG1-CB 4.3Å; I168-Q319 HydrophobicContact CG2-CB 4.32Å
169N95.4Very high92.3Very high0 Ų031.1 Ų31.10%016%0.164CC..EExtended strand (participates in β ladder)trans-105.9135.9172.7175.2-97.3000109.9S34 L38 G97 N98 Q319 H320 S321S34-N169 VanDerWaalsContact CB-OD1 3.24Å; S34-N169 WeakPolarHBondContact CB-OD1 3.49Å; S34-N169 PolarHBondContact O-ND2 2.78Å; S34-N169 PolarHBondContact OG-ND2 2.82Å; S34-N169 PolarHBondContact OG-OD1 2.66Å; L38-N169 HydrophobicContact CB-CB 4.38Å; L38-N169 HydrophobicContact CD2-CB 4Å; G97-N169 CarbonylContact O-C 3.55Å; G97-N169 WeakPolarHBondContact O-CA 3.28Å; N98-N169 PolarHBondContact OD1-ND2 2.94Å; N169-Q319 PolarHBondContact N-O 2.9Å; N169-H320 WeakPolarHBondContact O-CA 3.44Å; N169-H320 PolarHBondContact OD1-CE1 2.87Å; N169-H320 PolarHBondContact OD1-ND1 2.93Å; N169-S321 PolarHBondContact O-N 2.85Å
170T92.1Very high92.4Very high1 Ų131.9 Ų31.91%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-130.7142.3175.8590000109.7I96 G97 W142 V143 T147 I168 S321I96-T170 WeakPolarHBondContact CA-O 3.5Å; G97-T170 WeakPolarHBondContact CA-OG1 3.23Å; G97-T170 PolarHBondContact N-O 2.98Å; G97-T170 PolarHBondContact O-N 2.81Å; G97-T170 PolarHBondContact O-OG1 2.86Å; W142-T170 HydrophobicContact CZ3-CG2 4.44Å; V143-T170 HydrophobicContact CG1-CG2 4.02Å; V143-T170 HydrophobicContact CG2-CG2 4.3Å; T147-T170 HydrophobicContact CG2-CG2 4.01Å; I168-T170 HydrophobicContact CG2-CG2 4.25Å; T170-S321 WeakPolarHBondContact CA-O 3.32Å
171L90.4Very high92.5Very high1 Ų128.6 Ų28.61%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-129.8133.1166.2-168.1147.8000110.1S31 I33 I94 I96 F173 V322 F374S31-L171 VanDerWaalsContact OG-CD1 3.3Å; S31-L171 WeakPolarHBondContact OG-CD1 3.12Å; I33-L171 HydrophobicContact CG2-CD1 4.39Å; I94-L171 HydrophobicContact CG2-CD1 4.25Å; I94-L171 HydrophobicContact CG2-CG 4.43Å; I96-L171 HydrophobicContact CD1-CD1 4.02Å; I96-L171 HydrophobicContact CG1-CD1 3.64Å; I96-L171 HydrophobicContact CG1-CG 4Å; L171-F173 HydrophobicContact CD2-CB 4.47Å; L171-V322 HydrophobicContact CB-CG1 4.28Å; L171-F374 HydrophobicContact CD2-CD2 4.01Å; L171-F374 HydrophobicContact CD2-CE1 4.29Å; L171-F374 HydrophobicContact CD2-CE2 3.07Å; L171-F374 HydrophobicContact CD2-CZ 3.27Å
172Y86.7Confident92.6Very high16 Ų1627.2 Ų27.26%0.06314%0.141CC..EExtended strand (participates in β ladder)trans-122133.7178.4169.2-80.3000109I94 S95 S148 L150 K174 E332I94-Y172 WeakPolarHBondContact CA-O 3.45Å; S95-Y172 PolarHBondContact N-O 3.07Å; S95-Y172 PolarHBondContact O-N 2.83Å; S148-Y172 WeakPolarHBondContact OG-CE2 3.26Å; L150-Y172 HydrophobicContact CD1-CE2 4.47Å; Y172-K174 HydrophobicContact CE1-CB 3.73Å; Y172-E332 WeakPolarHBondContact CD2-OE2 3.43Å; Y172-E332 WeakPolarHBondContact CE2-OE1 3.08Å; Y172-E332 WeakPolarHBondContact CE2-OE2 3.3Å; Y172-E332 PolarHBondContact OH-OE1 3Å; Y172-E332 PolarHBondContact OH-OE2 2.86Å
173F88.2Confident92.6Very high5 Ų525.4 Ų25.42%0.02213%0.128CC..EExtended strand (participates in β ladder)trans-132.1135.3175.2170.4-92.4000111.4V93 I94 L171 F227 F232 V331 V364 L373 F374V93-F173 HydrophobicContact CG1-CD2 4.19Å; V93-F173 HydrophobicContact CG1-CE2 3.89Å; V93-F173 CarbonylContact O-C 3.42Å; V93-F173 VanDerWaalsContact O-CA 3.32Å; V93-F173 WeakPolarHBondContact O-CA 3.47Å; I94-F173 HydrophobicContact CD1-CD2 4.36Å; I94-F173 HydrophobicContact CG1-CD2 3.71Å; I94-F173 HydrophobicContact CG1-CE2 4.43Å; L171-F173 HydrophobicContact CD2-CB 4.47Å; F173-F227 HydrophobicContact CE1-CD1 4.48Å; F173-F227 HydrophobicContact CE1-CD2 4.21Å; F173-F227 HydrophobicContact CE1-CE1 4.04Å; F173-F227 AromaticContact CE1-CE2 3.74Å; F173-F227 HydrophobicContact CE1-CE2 3.74Å; F173-F227 AromaticContact CE1-CZ 3.64Å; F173-F227 HydrophobicContact CE1-CZ 3.64Å; F173-F227 AromaticContact CZ-CD2 3.87Å; F173-F227 HydrophobicContact CZ-CD2 3.87Å; F173-F227 AromaticContact CZ-CE2 3.82Å; F173-F227 HydrophobicContact CZ-CE2 3.82Å; F173-F227 HydrophobicContact CZ-CG 4.27Å; F173-F227 HydrophobicContact CZ-CZ 4.16Å; F173-F232 HydrophobicContact CE2-CB 4.21Å; F173-F232 HydrophobicContact CE2-CD1 4.36Å; F173-F232 AromaticContact CE2-CD2 3.92Å; F173-F232 HydrophobicContact CE2-CD2 3.92Å; F173-F232 HydrophobicContact CE2-CE2 4.38Å; F173-F232 AromaticContact CE2-CG 3.91Å; F173-F232 HydrophobicContact CE2-CG 3.91Å; F173-F232 HydrophobicContact CZ-CB 4.05Å; F173-F232 HydrophobicContact CZ-CD2 4.41Å; F173-F232 HydrophobicContact CZ-CG 4.25Å; F173-V331 HydrophobicContact CD1-CB 4.1Å; F173-V331 HydrophobicContact CD1-CG1 3.79Å; F173-V331 HydrophobicContact CE1-CB 4.06Å; F173-V331 HydrophobicContact CE1-CG1 4.26Å; F173-V364 HydrophobicContact CD1-CG1 3.84Å; F173-V364 HydrophobicContact CD1-CG2 4.29Å; F173-V364 HydrophobicContact CD2-CG1 4.18Å; F173-V364 HydrophobicContact CE1-CG1 3.72Å; F173-V364 HydrophobicContact CE2-CG1 4.07Å; F173-V364 HydrophobicContact CG-CG1 4.07Å; F173-V364 HydrophobicContact CZ-CG1 3.84Å; F173-L373 HydrophobicContact CD2-CD1 3.9Å; F173-L373 HydrophobicContact CE2-CD1 4.17Å; F173-F374 HydrophobicContact CB-CD2 4.37Å; F173-F374 HydrophobicContact CB-CE2 3.44Å; F173-F374 VanDerWaalsContact CB-CE2 3.44Å; F173-F374 HydrophobicContact CB-CZ 4.08Å; F173-F374 HydrophobicContact CG-CE2 4.42Å
174K87.9Confident92.6Very high26 Ų2633.4 Ų33.411%0.11317%0.165CC..  trans-129.5106.7179.8166149.5-168.1-170.80110.8V93 Y172 V331 E332V93-K174 WeakPolarHBondContact CG1-O 3.21Å; V93-K174 PolarHBondContact O-N 2.78Å; Y172-K174 HydrophobicContact CE1-CB 3.73Å; K174-V331 CarbonylContact C-O 3.57Å; K174-V331 WeakPolarHBondContact CA-O 3.08Å; K174-E332 WeakPolarHBondContact CD-O 3.48Å; K174-E332 WeakPolarHBondContact CE-O 3.31Å; K174-E332 WeakPolarHBondContact CG-O 3.47Å
175G89.6Confident92.7Very high5 Ų533.5 Ų33.55%0.05217%0.17CC..EExtended strand (participates in β ladder)trans-133.9125.3179.400000112.7F227 G330 V331G175-F227 VanDerWaalsContact C-CD1 3.5Å; G175-F227 VanDerWaalsContact O-CD1 3.27Å; G175-F227 WeakPolarHBondContact O-CD1 3.29Å; G175-F227 WeakPolarHBondContact O-CE1 3.32Å; G175-G330 CarbonylContact O-C 3.57Å; G175-G330 WeakPolarHBondContact O-CA 3.49Å; G175-V331 PolarHBondContact N-O 3.13Å; G175-V331 PolarHBondContact O-N 3.23Å
176K91.6Very high92.8Very high68 Ų6834.9 Ų34.930%0.29618%0.178SC..EExtended strand (participates in β ladder)trans-77.9140.9170.3-68.7-179.5-175.4173.40110.1E89 F227 M228 D329 A333E89-K176 IonicContact OE1-NZ 3.98Å; E89-K176 PolarHBondContact OE1-NZ 3.43Å; K176-F227 CarbonylContact O-C 3.5Å; K176-F227 VanDerWaalsContact O-CA 3.25Å; K176-F227 WeakPolarHBondContact O-CA 3.15Å; K176-F227 WeakPolarHBondContact O-CB 3.16Å; K176-F227 WeakPolarHBondContact O-CD1 3.3Å; K176-M228 HydrophobicContact CB-CG 3.89Å; K176-M228 PolarHBondContact O-N 3.35Å; K176-D329 CarbonylContact C-O 3.55Å; K176-D329 VanDerWaalsContact CA-O 3.31Å; K176-D329 WeakPolarHBondContact CA-O 3.45Å; K176-A333 HydrophobicContact CG-CB 3.95Å
177W94.3Very high92.9Very high4 Ų438.3 Ų38.32%0.01520%0.199CC..BIsolated β-bridgetrans-60.8141.7173.4-62.1123.5000110.9K179 F181 K225 F227 M228 F234 V326 N327 D329 G330 V331W177-K179 WeakPolarHBondContact CB-O 3.08Å; W177-K179 PolarHBondContact O-N 2.96Å; W177-F181 AromaticContact CD1-CD2 3.96Å; W177-F181 AromaticContact NE1-CD2 3.85Å; W177-F181 AromaticContact NE1-CE2 3.83Å; W177-K225 HydrophobicContact CD2-CD 4.08Å; W177-K225 HydrophobicContact CE3-CD 3.82Å; W177-K225 HydrophobicContact CE3-CG 3.93Å; W177-K225 HydrophobicContact CZ3-CB 4.39Å; W177-K225 HydrophobicContact CZ3-CD 4.11Å; W177-K225 HydrophobicContact CZ3-CG 4.18Å; W177-F227 HydrophobicContact CD2-CD1 4.44Å; W177-F227 HydrophobicContact CD2-CE1 4.26Å; W177-F227 AromaticContact CE3-CD1 3.7Å; W177-F227 HydrophobicContact CE3-CD1 3.7Å; W177-F227 AromaticContact CE3-CE1 3.56Å; W177-F227 HydrophobicContact CE3-CE1 3.56Å; W177-F227 HydrophobicContact CE3-CG 4.5Å; W177-F227 HydrophobicContact CE3-CZ 4.25Å; W177-F227 AromaticContact CH2-CE1 3.69Å; W177-F227 HydrophobicContact CH2-CE1 3.69Å; W177-F227 AromaticContact CH2-CZ 3.85Å; W177-F227 HydrophobicContact CH2-CZ 3.85Å; W177-F227 HydrophobicContact CZ2-CE1 4.38Å; W177-F227 AromaticContact CZ3-CD1 3.81Å; W177-F227 HydrophobicContact CZ3-CD1 3.81Å; W177-F227 AromaticContact CZ3-CE1 3.23Å; W177-F227 HydrophobicContact CZ3-CE1 3.23Å; W177-F227 HydrophobicContact CZ3-CE2 4.25Å; W177-F227 AromaticContact CZ3-CZ 3.49Å; W177-F227 HydrophobicContact CZ3-CZ 3.49Å; W177-F227 VanDerWaalsContact CZ3-CZ 3.49Å; W177-M228 WeakPolarHBondContact O-CG 3.36Å; W177-F234 HydrophobicContact CH2-CB 3.43Å; W177-F234 VanDerWaalsContact CH2-CB 3.43Å; W177-F234 AromaticContact CH2-CD1 3.94Å; W177-F234 HydrophobicContact CH2-CD1 3.94Å; W177-F234 HydrophobicContact CH2-CD2 4.45Å; W177-F234 AromaticContact CH2-CG 3.71Å; W177-F234 HydrophobicContact CH2-CG 3.71Å; W177-F234 HydrophobicContact CZ3-CB 3.4Å; W177-F234 VanDerWaalsContact CZ3-CB 3.4Å; W177-F234 HydrophobicContact CZ3-CG 4.21Å; W177-V326 HydrophobicContact CZ2-CG1 4.15Å; W177-N327 PolarHBondContact NE1-O 3.35Å; W177-D329 PolarHBondContact N-O 2.86Å; W177-G330 VanDerWaalsContact CD1-CA 3.46Å; W177-G330 VanDerWaalsContact NE1-CA 3.28Å; W177-V331 HydrophobicContact CH2-CG2 3.9Å; W177-V331 HydrophobicContact CZ2-CG2 4.16Å
178K94.1Very high92.9Very high127 Ų12745.2 Ų45.255%0.55223%0.231SC*.SBendtrans-56.2-38169.9-176.8176.7178.9177.10111.6S226K178-S226 WeakPolarHBondContact CB-O 3.04Å; K178-S226 PolarHBondContact N-O 3.34Å
179K95.1Very high93Very high70 Ų7045.8 Ų45.830%0.30424%0.237SC..SBendtrans-132.2103.6172.9-74.5172.1179175.60107.9W177 I206 D208 K225W177-K179 WeakPolarHBondContact CB-O 3.08Å; W177-K179 PolarHBondContact O-N 2.96Å; K179-I206 HydrophobicContact CB-CD1 4.41Å; K179-D208 WeakPolarHBondContact CD-OD1 3.35Å; K179-D208 WeakPolarHBondContact CD-OD2 3.3Å; K179-D208 WeakPolarHBondContact CE-OD1 3.34Å; K179-D208 IonicContact NZ-OD1 3.63Å; K179-D208 PolarHBondContact NZ-OD1 3Å; K179-K225 PolarHBondContact O-NZ 3.31Å
180P94.6Very high93Very high45 Ų4550.2 Ų50.229%0.29226%0.258SS..PPolyproline II helixtrans-67159.2-179.328.5-35.4000111.4I206 E328 V338P180-I206 WeakPolarHBondContact O-CD1 3.19Å; P180-E328 CarbonylContact C-O 3.47Å; P180-E328 VanDerWaalsContact CA-O 3.31Å; P180-E328 WeakPolarHBondContact CA-O 3.41Å; P180-E328 WeakPolarHBondContact CB-O 3.31Å; P180-V338 HydrophobicContact CB-CG2 4.49Å; P180-V338 HydrophobicContact CG-CG1 3.74Å; P180-V338 HydrophobicContact CG-CG2 4.27Å
181F95.1Very high93.3Very high2 Ų250.2 Ų50.21%0.00926%0.258CS..PPolyproline II helixtrans-75153.8166.9-60.4-99.5000108.8W177 M204 I206 K225 L272 L274 E328W177-F181 AromaticContact CD1-CD2 3.96Å; W177-F181 AromaticContact NE1-CD2 3.85Å; W177-F181 AromaticContact NE1-CE2 3.83Å; F181-M204 HydrophobicContact CB-CB 4.03Å; F181-M204 HydrophobicContact CB-SD 4.45Å; F181-M204 HydrophobicContact CD1-CB 3.5Å; F181-M204 VanDerWaalsContact CD1-CB 3.5Å; F181-M204 HydrophobicContact CD2-CB 4.31Å; F181-M204 HydrophobicContact CD2-CE 4.28Å; F181-M204 HydrophobicContact CD2-SD 4.06Å; F181-M204 HydrophobicContact CE1-CB 3.93Å; F181-M204 HydrophobicContact CE2-CE 4.14Å; F181-M204 HydrophobicContact CG-CB 3.71Å; F181-M204 HydrophobicContact CG-SD 4.24Å; F181-I206 HydrophobicContact CD1-CB 3.7Å; F181-I206 HydrophobicContact CD1-CG2 3.72Å; F181-I206 HydrophobicContact CE1-CB 3.9Å; F181-I206 HydrophobicContact CE1-CG2 3.37Å; F181-I206 HydrophobicContact CZ-CG2 4.05Å; F181-K225 HydrophobicContact CE2-CD 4.07Å; F181-K225 HydrophobicContact CZ-CD 4.14Å; F181-L272 HydrophobicContact CE1-CD2 4.22Å; F181-L272 HydrophobicContact CE1-CG 4.37Å; F181-L272 HydrophobicContact CZ-CD2 3.79Å; F181-L272 HydrophobicContact CZ-CG 4.35Å; F181-L274 HydrophobicContact CE1-CB 4.44Å; F181-L274 HydrophobicContact CE2-CD2 4.22Å; F181-L274 HydrophobicContact CZ-CB 4.05Å; F181-L274 HydrophobicContact CZ-CD2 4Å; F181-E328 HydrophobicContact CB-CB 3.98Å; F181-E328 HydrophobicContact CB-CG 4.02Å; F181-E328 PolarHBondContact N-O 2.86Å
182S93.5Very high93.6Very high44 Ų4455 Ų5531%0.30828%0.279SS..PPolyproline II helixtrans-85.9131.2170.4177.10000108.8H184 S185 T186S182-H184 PolarHBondContact O-N 2.84Å; S182-H184 PolarHBondContact OG-N 3.2Å; S182-S185 CarbonylContact O-C 3.57Å; S182-S185 WeakPolarHBondContact O-CA 3.48Å; S182-S185 WeakPolarHBondContact O-CB 3.37Å; S182-S185 PolarHBondContact O-N 2.74Å; S182-T186 PolarHBondContact O-N 2.85Å
183N90.9Very high94Very high63 Ų6354.6 Ų54.634%0.33728%0.278SS..G310 helixtrans-55.7-31.5171.4-70.4-37000111.9S185 T186 E328N183-S185 PolarHBondContact O-N 2.77Å; N183-T186 PolarHBondContact O-N 3.35Å; N183-E328 WeakPolarHBondContact OD1-CB 3.13Å; N183-E328 WeakPolarHBondContact OD1-CG 3.41Å; N183-E328 PolarHBondContact OD1-OE1 2.6Å
184H92.8Very high94.1Very high169 Ų16956 Ų5678%0.78229%0.285SS*.G310 helixtrans-71.5-17.4176.4-56.7-66.4000113.3S182S182-H184 PolarHBondContact O-N 2.84Å; S182-H184 PolarHBondContact OG-N 3.2Å
185S94.7Very high94Very high52 Ų5262 Ų6236%0.36432%0.319SS..G310 helixtrans-100.38.6174.9-55.60000111.8S182 N183 H205S182-S185 CarbonylContact O-C 3.57Å; S182-S185 WeakPolarHBondContact O-CA 3.48Å; S182-S185 WeakPolarHBondContact O-CB 3.37Å; S182-S185 PolarHBondContact O-N 2.74Å; N183-S185 PolarHBondContact O-N 2.77Å; S185-H205 WeakPolarHBondContact CB-O 3.29Å; S185-H205 WeakPolarHBondContact O-CB 3.47Å; S185-H205 PolarHBondContact O-CD2 3.02Å; S185-H205 PolarHBondContact O-N 2.86Å; S185-H205 VanDerWaalsContact O-N 3.15Å
186T96.1Very high94.1Very high29 Ų2965.4 Ų65.418%0.17833%0.333CS..EExtended strand (participates in β ladder)trans-91.7119169.8-58.40000108.7S182 N183 P202 M203 M204 E328S182-T186 PolarHBondContact O-N 2.85Å; N183-T186 PolarHBondContact O-N 3.35Å; T186-P202 HydrophobicContact CG2-CB 3.84Å; T186-M203 CarbonylContact C-O 3.57Å; T186-M203 VanDerWaalsContact CA-O 3.28Å; T186-M203 WeakPolarHBondContact CA-O 3.31Å; T186-M204 HydrophobicContact CG2-CG 4.16Å; T186-E328 WeakPolarHBondContact CB-OE1 3.35Å; T186-E328 WeakPolarHBondContact CG2-OE1 3.45Å; T186-E328 WeakPolarHBondContact OG1-CG 3.44Å; T186-E328 PolarHBondContact OG1-OE1 2.79Å
187T96.2Very high94.2Very high76 Ų7667.1 Ų67.147%0.46635%0.352SS..EExtended strand (participates in β ladder)trans-127.1158.2-179.150.20000111G189 M203 H205T187-G189 PolarHBondContact O-N 3.3Å; T187-M203 PolarHBondContact N-O 3.44Å; T187-M203 PolarHBondContact O-N 2.92Å; T187-H205 PolarHBondContact OG1-CD2 2.92Å; T187-H205 PolarHBondContact OG1-NE2 2.91Å
188E97.2Very high94.3Very high145 Ų14571.4 Ų71.468%0.67837%0.374SS*.EExtended strand (participates in β ladder)trans-63.6123.9171.8-171.8179.587.500109.9K200E188-K200 HydrophobicContact CG-CB 3.9Å; E188-K200 HydrophobicContact CG-CD 4.07Å; E188-K200 HydrophobicContact CG-CG 4.36Å
189G95.9Very high94.4Very high14 Ų1466.8 Ų66.814%0.14436%0.355CS..EExtended strand (participates in β ladder)trans-121.8162.2177.700000111.7T187 K200 I201T187-G189 PolarHBondContact O-N 3.3Å; G189-K200 WeakPolarHBondContact O-CA 3.31Å; G189-I201 PolarHBondContact N-O 3.46Å; G189-I201 PolarHBondContact O-N 3.02Å
190E96.9Very high94.5Very high93 Ų9368.4 Ų68.444%0.43536%0.362SS..EExtended strand (participates in β ladder)trans-87.7132.9169.5-69.1-178.2174.400109.8I198 K200 N357E190-I198 HydrophobicContact CB-CG2 3.83Å; E190-I198 HydrophobicContact CG-CG2 4.04Å; E190-K200 HydrophobicContact CG-CD 4.05Å; E190-K200 IonicContact OE1-NZ 3.87Å; E190-K200 PolarHBondContact OE1-NZ 3.4Å; E190-N357 WeakPolarHBondContact O-CB 3.49Å
191F97.7Very high94.6Very high0 Ų066.3 Ų66.30%035%0.348CS..EExtended strand (participates in β ladder)trans-117.8137.3169.2-172.5-82.5000108.7P193 I198 I199 I201 P275 N357 E358 F360 I379 P381F191-P193 HydrophobicContact CD1-CG 4Å; F191-P193 HydrophobicContact CE1-CB 4.45Å; F191-P193 HydrophobicContact CE1-CG 4.29Å; F191-P193 VanDerWaalsContact O-CD 3.28Å; F191-P193 WeakPolarHBondContact O-CD 3.33Å; F191-I198 WeakPolarHBondContact O-CA 3.33Å; F191-I198 WeakPolarHBondContact O-CG2 3.39Å; F191-I199 HydrophobicContact CB-CG1 3.95Å; F191-I199 HydrophobicContact CD1-CD1 4.48Å; F191-I199 HydrophobicContact CD1-CG1 4.4Å; F191-I199 PolarHBondContact N-O 2.98Å; F191-I199 PolarHBondContact O-N 3.24Å; F191-I201 HydrophobicContact CB-CG2 3.63Å; F191-I201 HydrophobicContact CG-CG2 4.47Å; F191-P275 HydrophobicContact CD2-CG 4.34Å; F191-P275 HydrophobicContact CE2-CG 4.21Å; F191-N357 CarbonylContact C-O 3.56Å; F191-N357 WeakPolarHBondContact CA-O 3.47Å; F191-E358 VanDerWaalsContact CE2-O 3.24Å; F191-E358 WeakPolarHBondContact CE2-O 3.39Å; F191-E358 WeakPolarHBondContact CZ-O 3.19Å; F191-F360 HydrophobicContact CE2-CD1 4.06Å; F191-F360 AromaticContact CE2-CE1 3.91Å; F191-F360 HydrophobicContact CE2-CE1 3.91Å; F191-F360 HydrophobicContact CZ-CD1 4.06Å; F191-F360 HydrophobicContact CZ-CE1 4.06Å; F191-I379 WeakPolarHBondContact CE1-O 3.43Å; F191-P381 HydrophobicContact CD1-CG 4.02Å; F191-P381 HydrophobicContact CD2-CG 4.11Å; F191-P381 HydrophobicContact CE1-CG 3.87Å; F191-P381 HydrophobicContact CE2-CG 3.94Å; F191-P381 HydrophobicContact CG-CG 4.14Å; F191-P381 HydrophobicContact CZ-CG 3.8Å
192K96.9Very high94.7Very high103 Ų10367.6 Ų67.645%0.44836%0.357SS..BIsolated β-bridgetrans-112.286.9-173.4-56.3175.1-173.5173.20108.7I198 N357 E358 S359K192-I198 HydrophobicContact CG-CD1 4.31Å; K192-I198 HydrophobicContact CG-CG1 4.17Å; K192-N357 PolarHBondContact N-O 3.17Å; K192-E358 HydrophobicContact CB-CB 4.39Å; K192-E358 VanDerWaalsContact O-CA 3.32Å; K192-E358 WeakPolarHBondContact O-CA 3.43Å; K192-S359 PolarHBondContact O-N 3.45Å
193P95.3Very high94.9Very high6 Ų665.8 Ų65.84%0.03934%0.344CS..  trans-63.1143.6175.7-13.627.7000110F191 N195 Q196 P197 I199 I379 K380F191-P193 HydrophobicContact CD1-CG 4Å; F191-P193 HydrophobicContact CE1-CB 4.45Å; F191-P193 HydrophobicContact CE1-CG 4.29Å; F191-P193 VanDerWaalsContact O-CD 3.28Å; F191-P193 WeakPolarHBondContact O-CD 3.33Å; P193-N195 PolarHBondContact O-N 2.99Å; P193-Q196 HydrophobicContact CB-CB 3.94Å; P193-Q196 HydrophobicContact CB-CG 4.19Å; P193-Q196 HydrophobicContact CG-CB 4.38Å; P193-Q196 PolarHBondContact O-N 3.48Å; P193-Q196 VanDerWaalsContact O-N 3.16Å; P193-P197 WeakPolarHBondContact CD-O 3.31Å; P193-I199 HydrophobicContact CG-CG1 4.46Å; P193-I379 WeakPolarHBondContact CA-O 3.38Å; P193-I379 VanDerWaalsContact CB-O 3.31Å; P193-I379 WeakPolarHBondContact CB-O 3.43Å; P193-K380 HydrophobicContact CB-CB 4.18Å; P193-K380 HydrophobicContact CB-CG 4.45Å; P193-K380 HydrophobicContact CG-CB 4.31Å; P193-K380 HydrophobicContact CG-CD 4.47Å; P193-K380 HydrophobicContact CG-CG 4.05Å
194N89.1Confident95.3Very high34 Ų3462.8 Ų62.818%0.18233%0.328CS..THydrogen-bonded Turntrans-60.3121.7180-166.934.2000110.5Q196 G243 S359N194-Q196 WeakPolarHBondContact O-CG 3.42Å; N194-Q196 PolarHBondContact O-N 2.82Å; N194-G243 PolarHBondContact OD1-O 2.89Å; N194-S359 PolarHBondContact N-OG 2.91Å
195N86.5Confident95.5Very high154 Ų15457.7 Ų57.782%0.82430%0.304SS*.THydrogen-bonded Turntrans56.126.4-177.7-55.8-46.2000115.3P193P193-N195 PolarHBondContact O-N 2.99Å
196Q91.9Very high95.6Very high75 Ų7556.7 Ų56.735%0.3529%0.294SS..SBendtrans-133.5163.8173.2-38.9-178.5-0.800111.6P193 N194P193-Q196 HydrophobicContact CB-CB 3.94Å; P193-Q196 HydrophobicContact CB-CG 4.19Å; P193-Q196 HydrophobicContact CG-CB 4.38Å; P193-Q196 PolarHBondContact O-N 3.48Å; P193-Q196 VanDerWaalsContact O-N 3.16Å; N194-Q196 WeakPolarHBondContact O-CG 3.42Å; N194-Q196 PolarHBondContact O-N 2.82Å
197P94.3Very high95.6Very high104 Ų10460.7 Ų60.768%0.67531%0.312SS*.  trans-58.3145.7177.4-25.535.5000113P193P193-P197 WeakPolarHBondContact CD-O 3.31Å
198I96.5Very high95.5Very high95 Ų9557.6 Ų57.649%0.48729%0.293SS..  trans-57.4137.4173.4-59.4-179.3000109.3E190 F191 K192E190-I198 HydrophobicContact CB-CG2 3.83Å; E190-I198 HydrophobicContact CG-CG2 4.04Å; F191-I198 WeakPolarHBondContact O-CA 3.33Å; F191-I198 WeakPolarHBondContact O-CG2 3.39Å; K192-I198 HydrophobicContact CG-CD1 4.31Å; K192-I198 HydrophobicContact CG-CG1 4.17Å
199I95.9Very high95.4Very high29 Ų2953.1 Ų53.115%0.14928%0.277CS..EExtended strand (participates in β ladder)trans-116.5154173.262.5172000110.8F191 P193 K380F191-I199 HydrophobicContact CB-CG1 3.95Å; F191-I199 HydrophobicContact CD1-CD1 4.48Å; F191-I199 HydrophobicContact CD1-CG1 4.4Å; F191-I199 PolarHBondContact N-O 2.98Å; F191-I199 PolarHBondContact O-N 3.24Å; P193-I199 HydrophobicContact CG-CG1 4.46Å; I199-K380 HydrophobicContact CD1-CG 4.01Å
200K96.9Very high95.5Very high105 Ų10552.7 Ų52.746%0.45727%0.272SS..EExtended strand (participates in β ladder)trans-87.4132.7166.1-62.6-66.2177.7175.20109.1E188 G189 E190E188-K200 HydrophobicContact CG-CB 3.9Å; E188-K200 HydrophobicContact CG-CD 4.07Å; E188-K200 HydrophobicContact CG-CG 4.36Å; G189-K200 WeakPolarHBondContact O-CA 3.31Å; E190-K200 HydrophobicContact CG-CD 4.05Å; E190-K200 IonicContact OE1-NZ 3.87Å; E190-K200 PolarHBondContact OE1-NZ 3.4Å
201I96.7Very high95.5Very high1 Ų151 Ų511%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-145.2145179.9-169.5162.8000109.8G189 F191 M203 P275 F277 P381 P383G189-I201 PolarHBondContact N-O 3.46Å; G189-I201 PolarHBondContact O-N 3.02Å; F191-I201 HydrophobicContact CB-CG2 3.63Å; F191-I201 HydrophobicContact CG-CG2 4.47Å; I201-M203 HydrophobicContact CG2-CE 4.21Å; I201-M203 PolarHBondContact O-N 3.31Å; I201-P275 HydrophobicContact CD1-CB 3.81Å; I201-P275 HydrophobicContact CG1-CB 4.3Å; I201-P275 HydrophobicContact CG2-CB 4.29Å; I201-F277 HydrophobicContact CD1-CB 4.29Å; I201-P381 HydrophobicContact CD1-CB 3.86Å; I201-P381 HydrophobicContact CD1-CG 3.65Å; I201-P383 HydrophobicContact CB-CG 4.34Å; I201-P383 HydrophobicContact CD1-CB 4.25Å; I201-P383 HydrophobicContact CD1-CG 4.04Å; I201-P383 HydrophobicContact CG1-CB 3.89Å; I201-P383 HydrophobicContact CG1-CG 3.94Å
202P97.7Very high95.6Very high29 Ų2952.5 Ų52.519%0.18827%0.27CS..EExtended strand (participates in β ladder)trans-61.6124.1171.2-18.831.1000109.9T186 K276T186-P202 HydrophobicContact CG2-CB 3.84Å; P202-K276 HydrophobicContact CB-CB 4.05Å; P202-K276 HydrophobicContact CB-CD 4.39Å; P202-K276 PolarHBondContact O-N 2.97Å
203M98Very high95.7Very high6 Ų647.9 Ų47.93%0.0325%0.251CS..EExtended strand (participates in β ladder)trans-112.9120.4-177.7-169.866.965.900108.4T186 T187 I201 H205 P275 N357T186-M203 CarbonylContact C-O 3.57Å; T186-M203 VanDerWaalsContact CA-O 3.28Å; T186-M203 WeakPolarHBondContact CA-O 3.31Å; T187-M203 PolarHBondContact N-O 3.44Å; T187-M203 PolarHBondContact O-N 2.92Å; I201-M203 HydrophobicContact CG2-CE 4.21Å; I201-M203 PolarHBondContact O-N 3.31Å; M203-H205 VanDerWaalsContact CG-CE1 3.43Å; M203-H205 WeakPolarHBondContact CG-CE1 3.44Å; M203-H205 PolarHBondContact O-CD2 3.17Å; M203-H205 PolarHBondContact O-NE2 3.04Å; M203-P275 HydrophobicContact CE-CB 4.43Å; M203-P275 HydrophobicContact SD-CB 4.46Å; M203-P275 VanDerWaalsContact SD-N 3.38Å; M203-N357 HydrophobicContact CE-CB 4.32Å
204M97.9Very high95.8Very high0 Ų052 Ų520%027%0.272CS..EExtended strand (participates in β ladder)trans-89.4133.1-179.8-49.9179-75.300109.5F181 T186 S273 L274 P275 K276 V326 E328F181-M204 HydrophobicContact CB-CB 4.03Å; F181-M204 HydrophobicContact CB-SD 4.45Å; F181-M204 HydrophobicContact CD1-CB 3.5Å; F181-M204 VanDerWaalsContact CD1-CB 3.5Å; F181-M204 HydrophobicContact CD2-CB 4.31Å; F181-M204 HydrophobicContact CD2-CE 4.28Å; F181-M204 HydrophobicContact CD2-SD 4.06Å; F181-M204 HydrophobicContact CE1-CB 3.93Å; F181-M204 HydrophobicContact CE2-CE 4.14Å; F181-M204 HydrophobicContact CG-CB 3.71Å; F181-M204 HydrophobicContact CG-SD 4.24Å; T186-M204 HydrophobicContact CG2-CG 4.16Å; M204-S273 CarbonylContact O-C 3.51Å; M204-S273 WeakPolarHBondContact O-CA 3.07Å; M204-L274 WeakPolarHBondContact CB-O 3.12Å; M204-L274 HydrophobicContact CE-CB 4.24Å; M204-L274 HydrophobicContact CE-CD2 3.91Å; M204-L274 HydrophobicContact CE-CG 4.07Å; M204-L274 PolarHBondContact N-O 3.32Å; M204-L274 PolarHBondContact O-N 2.52Å; M204-P275 WeakPolarHBondContact CE-O 3.39Å; M204-K276 HydrophobicContact CG-CB 4.09Å; M204-K276 HydrophobicContact SD-CB 4.24Å; M204-K276 HydrophobicContact SD-CG 4.28Å; M204-V326 HydrophobicContact CE-CG1 3.94Å; M204-E328 HydrophobicContact CG-CG 4.04Å; M204-E328 VanDerWaalsContact SD-CA 3.57Å; M204-E328 HydrophobicContact SD-CB 4.22Å; M204-E328 HydrophobicContact SD-CG 3.7Å; M204-E328 PolarHBondContact SD-N 3.06Å
205H97.7Very high96.3Very high61 Ų6151.2 Ų51.228%0.28227%0.268SS..EExtended strand (participates in β ladder)trans-118136.3-177.6-59-74.7000112.6S185 T187 M203 L272 S273S185-H205 WeakPolarHBondContact CB-O 3.29Å; S185-H205 WeakPolarHBondContact O-CB 3.47Å; S185-H205 PolarHBondContact O-CD2 3.02Å; S185-H205 PolarHBondContact O-N 2.86Å; S185-H205 VanDerWaalsContact O-N 3.15Å; T187-H205 PolarHBondContact OG1-CD2 2.92Å; T187-H205 PolarHBondContact OG1-NE2 2.91Å; M203-H205 VanDerWaalsContact CG-CE1 3.43Å; M203-H205 WeakPolarHBondContact CG-CE1 3.44Å; M203-H205 PolarHBondContact O-CD2 3.17Å; M203-H205 PolarHBondContact O-NE2 3.04Å; H205-L272 WeakPolarHBondContact CA-O 3.36Å; H205-S273 PolarHBondContact CE1-OG 2.77Å; H205-S273 VanDerWaalsContact CE1-OG 3.26Å; H205-S273 WeakPolarHBondContact ND1-CB 3.3Å; H205-S273 PolarHBondContact ND1-OG 3.07Å
206I96.3Very high96.8Very high31 Ų3148.4 Ų48.416%0.15926%0.258CS..EExtended strand (participates in β ladder)trans-149.5142.1173.1-163.6174.9000111.5K179 P180 F181 D208 L272K179-I206 HydrophobicContact CB-CD1 4.41Å; P180-I206 WeakPolarHBondContact O-CD1 3.19Å; F181-I206 HydrophobicContact CD1-CB 3.7Å; F181-I206 HydrophobicContact CD1-CG2 3.72Å; F181-I206 HydrophobicContact CE1-CB 3.9Å; F181-I206 HydrophobicContact CE1-CG2 3.37Å; F181-I206 HydrophobicContact CZ-CG2 4.05Å; I206-D208 HydrophobicContact CD1-CB 4.2Å; I206-D208 HydrophobicContact CG1-CB 4.23Å; I206-L272 HydrophobicContact CG2-CB 4.06Å; I206-L272 HydrophobicContact CG2-CD2 4.4Å; I206-L272 PolarHBondContact N-O 2.94Å; I206-L272 PolarHBondContact O-N 2.86Å
207M95.6Very high97Very high113 Ų11353 Ų5356%0.55728%0.277SS*.EExtended strand (participates in β ladder)trans-102.2114.8163.9-69.1-174-71.400109.4V270 A271 R347 P350M207-V270 WeakPolarHBondContact CA-O 3.08Å; M207-A271 HydrophobicContact CG-CB 4.21Å; M207-R347 PolarHBondContact O-NH1 3.04Å; M207-P350 HydrophobicContact CG-CG 4.28Å; M207-P350 HydrophobicContact SD-CG 3.8Å
208D94.1Very high97.2Very high11 Ų1151.2 Ų51.26%0.05926%0.257CS..EExtended strand (participates in β ladder)trans-149.9162.4-173.7-164.719000113.2K179 I206 I210 V270K179-D208 WeakPolarHBondContact CD-OD1 3.35Å; K179-D208 WeakPolarHBondContact CD-OD2 3.3Å; K179-D208 WeakPolarHBondContact CE-OD1 3.34Å; K179-D208 IonicContact NZ-OD1 3.63Å; K179-D208 PolarHBondContact NZ-OD1 3Å; I206-D208 HydrophobicContact CD1-CB 4.2Å; I206-D208 HydrophobicContact CG1-CB 4.23Å; D208-I210 HydrophobicContact CB-CD1 4.19Å; D208-I210 HydrophobicContact CB-CG1 4.01Å; D208-I210 PolarHBondContact O-N 2.82Å; D208-V270 PolarHBondContact N-O 2.99Å; D208-V270 PolarHBondContact O-N 3.08Å
209S95.7Very high97.3Very high51 Ų5150.1 Ų50.136%0.35725%0.249SC..EExtended strand (participates in β ladder)trans-77.6104.3167.4170.70000108.7S267 K268S209-S267 PolarHBondContact OG-OG 3.48Å; S209-K268 CarbonylContact C-O 3.52Å; S209-K268 VanDerWaalsContact CA-O 3.3Å; S209-K268 WeakPolarHBondContact CA-O 3.47Å
210I97.6Very high97.4Very high5 Ų548.8 Ų48.83%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-124.2142-175.4-62176.2000108.5D208 Y212 I223 K268 V270 L272D208-I210 HydrophobicContact CB-CD1 4.19Å; D208-I210 HydrophobicContact CB-CG1 4.01Å; D208-I210 PolarHBondContact O-N 2.82Å; I210-Y212 PolarHBondContact O-N 2.98Å; I210-I223 HydrophobicContact CG2-CB 3.85Å; I210-I223 HydrophobicContact CG2-CG2 4.09Å; I210-K268 PolarHBondContact N-O 3.48Å; I210-K268 PolarHBondContact O-N 2.84Å; I210-V270 HydrophobicContact CB-CB 4.23Å; I210-V270 HydrophobicContact CB-CG2 4.14Å; I210-V270 HydrophobicContact CD1-CB 4.36Å; I210-L272 HydrophobicContact CD1-CB 4.01Å; I210-L272 HydrophobicContact CD1-CD2 3.82Å
211E98.4Very high97.5Very high58 Ų5845.5 Ų45.527%0.27123%0.228SC..EExtended strand (participates in β ladder)trans-65.2122171-74.1173.2163.400109I223 S224 L265 E266 K367E211-I223 CarbonylContact O-C 3.58Å; E211-I223 VanDerWaalsContact O-CA 3.22Å; E211-I223 WeakPolarHBondContact O-CA 3.4Å; E211-S224 PolarHBondContact O-N 2.65Å; E211-S224 WeakPolarHBondContact OE2-CB 3.49Å; E211-S224 PolarHBondContact OE2-OG 3.05Å; E211-L265 HydrophobicContact CB-CB 3.95Å; E211-L265 HydrophobicContact CB-CD1 4.32Å; E211-E266 CarbonylContact C-O 3.59Å; E211-E266 WeakPolarHBondContact CA-O 3.27Å; E211-K367 IonicContact OE1-NZ 3.14Å; E211-K367 PolarHBondContact OE1-NZ 3.3Å; E211-K367 IonicContact OE2-NZ 2.91Å; E211-K367 PolarHBondContact OE2-NZ 3.49Å
212Y98.7Very high97.6Very high31 Ų3145.4 Ų45.412%0.12223%0.228CC..EExtended strand (participates in β ladder)trans-131147.2-176.1170.8-92.2000110.6I210 L214 H221 M222 I223 E266 K268 I352 F354I210-Y212 PolarHBondContact O-N 2.98Å; Y212-L214 HydrophobicContact CE1-CB 3.99Å; Y212-H221 HydrophobicContact CE2-CB 4.02Å; Y212-M222 WeakPolarHBondContact CA-O 3.08Å; Y212-M222 WeakPolarHBondContact CD2-O 3.46Å; Y212-I223 HydrophobicContact CD2-CG2 4Å; Y212-E266 PolarHBondContact N-O 3.35Å; Y212-E266 PolarHBondContact O-N 3.4Å; Y212-K268 HydrophobicContact CD1-CG 4.35Å; Y212-I352 HydrophobicContact CD1-CD1 3.47Å; Y212-I352 VanDerWaalsContact CD1-CD1 3.47Å; Y212-I352 HydrophobicContact CD2-CG2 4.08Å; Y212-I352 HydrophobicContact CE1-CD1 3.69Å; Y212-I352 HydrophobicContact CE2-CG2 3.88Å; Y212-I352 HydrophobicContact CG-CD1 3.91Å; Y212-I352 HydrophobicContact CG-CG2 4.47Å; Y212-F354 HydrophobicContact CD2-CD2 4.22Å; Y212-F354 AromaticContact CE2-CD2 3.97Å; Y212-F354 HydrophobicContact CE2-CD2 3.97Å; Y212-F354 HydrophobicContact CE2-CE2 4.32Å
213G98.5Very high97.6Very high6 Ų644.1 Ų44.16%0.06222%0.219CC..EExtended strand (participates in β ladder)trans-144.1136.2171.400000111.7H221 M222G213-H221 CarbonylContact O-C 3.59Å; G213-H221 VanDerWaalsContact O-CA 3.25Å; G213-H221 WeakPolarHBondContact O-CA 3.1Å; G213-H221 WeakPolarHBondContact O-CB 3.2Å; G213-M222 PolarHBondContact N-O 3.42Å; G213-M222 PolarHBondContact O-N 2.87Å
214L98.4Very high97.7Very high92 Ų9243.9 Ų43.948%0.48222%0.218SC..EExtended strand (participates in β ladder)trans-106.2128.1168.417861.1000108.1Y212 P216 H221 T240Y212-L214 HydrophobicContact CE1-CB 3.99Å; L214-P216 HydrophobicContact CD2-CG 4.39Å; L214-P216 HydrophobicContact CG-CG 4.09Å; L214-P216 WeakPolarHBondContact O-CD 3.48Å; L214-H221 HydrophobicContact CD1-CB 3.84Å; L214-T240 HydrophobicContact CD1-CG2 3.72Å
215F98.4Very high97.7Very high18 Ų1844.1 Ų44.18%0.07922%0.219CC..EExtended strand (participates in β ladder)trans-124.379.9-178.7-57.3-78.3000110.2K217 Y218 K219 I220 M222 L261 K264 L265F215-K217 PolarHBondContact O-N 3.12Å; F215-Y218 HydrophobicContact CB-CD2 3.91Å; F215-Y218 HydrophobicContact CG-CD2 4.48Å; F215-Y218 CarbonylContact O-C 3.58Å; F215-Y218 PolarHBondContact O-N 3.25Å; F215-K219 PolarHBondContact O-N 3.11Å; F215-I220 HydrophobicContact CB-CG1 4.02Å; F215-I220 HydrophobicContact CD2-CG1 4.27Å; F215-I220 PolarHBondContact N-O 3.27Å; F215-I220 PolarHBondContact O-N 2.82Å; F215-M222 HydrophobicContact CD2-CE 4.42Å; F215-M222 HydrophobicContact CD2-CG 4.5Å; F215-M222 HydrophobicContact CE2-CE 4.11Å; F215-M222 HydrophobicContact CE2-CG 3.85Å; F215-M222 HydrophobicContact CE2-SD 4.05Å; F215-L261 HydrophobicContact CD1-CD2 3.88Å; F215-L261 HydrophobicContact CD2-CD2 4.19Å; F215-L261 HydrophobicContact CE1-CD2 3.89Å; F215-L261 HydrophobicContact CE2-CB 4.14Å; F215-L261 HydrophobicContact CE2-CD2 4.2Å; F215-L261 HydrophobicContact CG-CD2 4.03Å; F215-L261 HydrophobicContact CZ-CB 4Å; F215-L261 HydrophobicContact CZ-CD2 4.06Å; F215-L261 WeakPolarHBondContact CZ-O 3.02Å; F215-K264 HydrophobicContact CE1-CB 3.89Å; F215-K264 HydrophobicContact CE1-CD 4.01Å; F215-K264 HydrophobicContact CZ-CB 4.13Å; F215-L265 HydrophobicContact CE2-CD2 4.12Å; F215-L265 HydrophobicContact CZ-CD2 4.11Å
216P97.3Very high97.6Very high95 Ų9542.5 Ų42.562%0.61722%0.215SC*.G310 helixtrans-58.2-35.4-175.5-2535.4000113.1L214 Y218 K219L214-P216 HydrophobicContact CD2-CG 4.39Å; L214-P216 HydrophobicContact CG-CG 4.09Å; L214-P216 WeakPolarHBondContact O-CD 3.48Å; P216-Y218 PolarHBondContact O-N 3.21Å; P216-K219 PolarHBondContact O-N 2.76Å
217K97.5Very high97.5Very high172 Ų17241.1 Ų41.175%0.74821%0.208SC*.G310 helixtrans-53.9-36.2174.9-179.8179.6177.7-178.80112.7F215F215-K217 PolarHBondContact O-N 3.12Å
218Y98Very high97.3Very high66 Ų6641.5 Ų41.526%0.25921%0.209SC..G310 helixtrans-103.60.9-177.4-57.4-52.2000112.3F215 P216 I220 I256 L261F215-Y218 HydrophobicContact CB-CD2 3.91Å; F215-Y218 HydrophobicContact CG-CD2 4.48Å; F215-Y218 CarbonylContact O-C 3.58Å; F215-Y218 PolarHBondContact O-N 3.25Å; P216-Y218 PolarHBondContact O-N 3.21Å; Y218-I220 PolarHBondContact O-N 3.38Å; Y218-I256 HydrophobicContact CD1-CD1 3.5Å; Y218-I256 VanDerWaalsContact CD1-CD1 3.5Å; Y218-I256 HydrophobicContact CD1-CG1 4Å; Y218-I256 HydrophobicContact CD2-CD1 4.44Å; Y218-I256 HydrophobicContact CD2-CG2 4.2Å; Y218-I256 HydrophobicContact CE1-CD1 4.1Å; Y218-I256 HydrophobicContact CE1-CG1 4.08Å; Y218-I256 HydrophobicContact CE1-CG2 4.32Å; Y218-I256 HydrophobicContact CE2-CG2 4.03Å; Y218-I256 HydrophobicContact CG-CD1 3.7Å; Y218-I256 HydrophobicContact CG-CG1 4.48Å; Y218-I256 HydrophobicContact CG-CG2 4.47Å; Y218-L261 HydrophobicContact CD2-CD2 3.9Å; Y218-L261 HydrophobicContact CE2-CD2 3.85Å
219K98.1Very high97.1Very high73 Ų7343 Ų4332%0.31722%0.218SC..THydrogen-bonded Turntrans52.138.2-177.4-57.9179.8171-152.30113.6F215 P216 P239 T240 E241 Y247F215-K219 PolarHBondContact O-N 3.11Å; P216-K219 PolarHBondContact O-N 2.76Å; K219-P239 CarbonylContact O-C 3.58Å; K219-P239 WeakPolarHBondContact O-CA 3.49Å; K219-T240 VanDerWaalsContact C-OG1 3.28Å; K219-T240 WeakPolarHBondContact CA-OG1 3.32Å; K219-T240 PolarHBondContact O-N 2.64Å; K219-T240 PolarHBondContact O-OG1 3.44Å; K219-T240 VanDerWaalsContact O-OG1 3.13Å; K219-E241 WeakPolarHBondContact CD-OE1 3.15Å; K219-E241 WeakPolarHBondContact CE-OE1 3.45Å; K219-E241 IonicContact NZ-OE1 3.14Å; K219-E241 PolarHBondContact NZ-OE1 2.96Å; K219-E241 IonicContact NZ-OE2 2.64Å; K219-Y247 HydrophobicContact CB-CD2 3.61Å; K219-Y247 HydrophobicContact CB-CE2 4Å; K219-Y247 HydrophobicContact CB-CG 3.91Å; K219-Y247 HydrophobicContact CD-CD1 4.21Å; K219-Y247 HydrophobicContact CD-CD2 3.88Å; K219-Y247 HydrophobicContact CD-CE1 3.8Å; K219-Y247 HydrophobicContact CD-CE2 3.43Å; K219-Y247 VanDerWaalsContact CD-CE2 3.43Å; K219-Y247 HydrophobicContact CD-CG 4.25Å; K219-Y247 HydrophobicContact CG-CD2 4.46Å; K219-Y247 HydrophobicContact CG-CE2 4.42Å; K219-Y247 PolarHBondContact NZ-OH 3.09Å
220I98.7Very high96.8Very high0 Ų044.6 Ų44.60%023%0.226CC..EExtended strand (participates in β ladder)trans-131.8156.5177.161.6177.9000110.7F215 Y218 M222 I237 L238 A248 V251 L261F215-I220 HydrophobicContact CB-CG1 4.02Å; F215-I220 HydrophobicContact CD2-CG1 4.27Å; F215-I220 PolarHBondContact N-O 3.27Å; F215-I220 PolarHBondContact O-N 2.82Å; Y218-I220 PolarHBondContact O-N 3.38Å; I220-M222 HydrophobicContact CD1-CE 4.08Å; I220-I237 HydrophobicContact CB-CG2 3.93Å; I220-I237 HydrophobicContact CD1-CG2 3.93Å; I220-I237 HydrophobicContact CG1-CG2 4.4Å; I220-I237 HydrophobicContact CG2-CG2 4.16Å; I220-L238 VanDerWaalsContact CA-O 3.31Å; I220-L238 WeakPolarHBondContact CA-O 3.47Å; I220-A248 HydrophobicContact CG2-CB 4.05Å; I220-V251 HydrophobicContact CD1-CG2 3.6Å; I220-L261 HydrophobicContact CD1-CD1 3.94Å
221H98.3Very high96.6Very high36 Ų3646.2 Ų46.217%0.16723%0.232CC..EExtended strand (participates in β ladder)trans-129.7159.3159.862.6-175.2000109.5Y212 G213 L214 L238 F354Y212-H221 HydrophobicContact CE2-CB 4.02Å; G213-H221 CarbonylContact O-C 3.59Å; G213-H221 VanDerWaalsContact O-CA 3.25Å; G213-H221 WeakPolarHBondContact O-CA 3.1Å; G213-H221 WeakPolarHBondContact O-CB 3.2Å; L214-H221 HydrophobicContact CD1-CB 3.84Å; H221-L238 PolarHBondContact CD2-O 3.28Å; H221-L238 PolarHBondContact N-O 2.97Å; H221-L238 WeakPolarHBondContact NE2-CB 3.35Å; H221-L238 PolarHBondContact O-N 3.01Å; H221-F354 HydrophobicContact CB-CE2 4.47Å; H221-F354 AromaticContact CD2-CE2 3.47Å; H221-F354 VanDerWaalsContact CD2-CE2 3.47Å; H221-F354 WeakPolarHBondContact CD2-CE2 3.36Å; H221-F354 AromaticContact CG-CE2 3.81Å; H221-F354 AromaticContact NE2-CE2 3.62Å
222M98.7Very high96.5Very high0 Ų043.5 Ų43.50%022%0.22CC..EExtended strand (participates in β ladder)trans-150.3160.3179.964.217565.700112.5Y212 G213 F215 I220 I235 V236 I237 L261 L265Y212-M222 WeakPolarHBondContact CA-O 3.08Å; Y212-M222 WeakPolarHBondContact CD2-O 3.46Å; G213-M222 PolarHBondContact N-O 3.42Å; G213-M222 PolarHBondContact O-N 2.87Å; F215-M222 HydrophobicContact CD2-CE 4.42Å; F215-M222 HydrophobicContact CD2-CG 4.5Å; F215-M222 HydrophobicContact CE2-CE 4.11Å; F215-M222 HydrophobicContact CE2-CG 3.85Å; F215-M222 HydrophobicContact CE2-SD 4.05Å; I220-M222 HydrophobicContact CD1-CE 4.08Å; M222-I235 HydrophobicContact SD-CG2 4.31Å; M222-V236 CarbonylContact C-O 3.59Å; M222-V236 WeakPolarHBondContact CA-O 3.36Å; M222-V236 WeakPolarHBondContact CB-O 3.39Å; M222-I237 HydrophobicContact CB-CB 4.25Å; M222-I237 HydrophobicContact CB-CG1 3.89Å; M222-I237 HydrophobicContact CB-CG2 4.33Å; M222-I237 HydrophobicContact CE-CB 4.49Å; M222-I237 HydrophobicContact CE-CD1 3.48Å; M222-I237 VanDerWaalsContact CE-CD1 3.48Å; M222-I237 HydrophobicContact CE-CG1 3.72Å; M222-I237 HydrophobicContact CE-CG2 4.09Å; M222-I237 HydrophobicContact SD-CG1 4.44Å; M222-L261 HydrophobicContact CE-CB 3.76Å; M222-L261 HydrophobicContact CE-CD1 3.39Å; M222-L261 HydrophobicContact CE-CG 4.17Å; M222-L261 HydrophobicContact SD-CB 3.96Å; M222-L265 HydrophobicContact CG-CD2 3.67Å; M222-L265 HydrophobicContact SD-CD1 4.49Å; M222-L265 HydrophobicContact SD-CD2 3.96Å
223I98.7Very high96.4Very high1 Ų142 Ų421%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-119.7157.5168.456.8151.4000111I210 E211 Y212 I235 V236 L272 F354I210-I223 HydrophobicContact CG2-CB 3.85Å; I210-I223 HydrophobicContact CG2-CG2 4.09Å; E211-I223 CarbonylContact O-C 3.58Å; E211-I223 VanDerWaalsContact O-CA 3.22Å; E211-I223 WeakPolarHBondContact O-CA 3.4Å; Y212-I223 HydrophobicContact CD2-CG2 4Å; I223-I235 VanDerWaalsContact O-CA 3.24Å; I223-I235 WeakPolarHBondContact O-CA 3.42Å; I223-I235 WeakPolarHBondContact O-CG2 3.4Å; I223-V236 HydrophobicContact CD1-CB 4.4Å; I223-V236 HydrophobicContact CD1-CG2 4.49Å; I223-V236 HydrophobicContact CG1-CB 3.95Å; I223-V236 PolarHBondContact N-O 3.46Å; I223-V236 PolarHBondContact O-N 2.89Å; I223-V236 VanDerWaalsContact O-N 3.13Å; I223-L272 HydrophobicContact CD1-CD1 3.61Å; I223-L272 HydrophobicContact CD1-CD2 3.68Å; I223-L272 HydrophobicContact CD1-CG 4.28Å; I223-F354 HydrophobicContact CD1-CD1 4.27Å; I223-F354 HydrophobicContact CD1-CE1 4.3Å; I223-F354 HydrophobicContact CG1-CD1 4.06Å; I223-F354 HydrophobicContact CG1-CE1 3.75Å; I223-F354 HydrophobicContact CG1-CZ 4.06Å; I223-F354 HydrophobicContact CG2-CB 4.34Å; I223-F354 HydrophobicContact CG2-CD1 4.07Å; I223-F354 HydrophobicContact CG2-CD2 3.73Å; I223-F354 HydrophobicContact CG2-CE1 4.28Å; I223-F354 HydrophobicContact CG2-CE2 3.96Å; I223-F354 HydrophobicContact CG2-CG 3.77Å; I223-F354 HydrophobicContact CG2-CZ 4.23Å
224S98.7Very high96.4Very high1 Ų141.8 Ų41.81%0.00721%0.211CC..EExtended strand (participates in β ladder)trans-127.399.6167.8160.60000108.5E211 S233 L265E211-S224 PolarHBondContact O-N 2.65Å; E211-S224 WeakPolarHBondContact OE2-CB 3.49Å; E211-S224 PolarHBondContact OE2-OG 3.05Å; S224-S233 VanDerWaalsContact OG-CB 3.3Å; S224-S233 WeakPolarHBondContact OG-CB 3.37Å; S224-S233 PolarHBondContact OG-OG 2.91Å; S224-L265 VanDerWaalsContact CB-CD1 3.47Å
225K97.9Very high96.4Very high5 Ų537.4 Ų37.42%0.02219%0.188CC..EExtended strand (participates in β ladder)trans-88.4117.5177.1-174.3176.8172.669.40109.3W177 K179 F181 S233 F234 L272W177-K225 HydrophobicContact CD2-CD 4.08Å; W177-K225 HydrophobicContact CE3-CD 3.82Å; W177-K225 HydrophobicContact CE3-CG 3.93Å; W177-K225 HydrophobicContact CZ3-CB 4.39Å; W177-K225 HydrophobicContact CZ3-CD 4.11Å; W177-K225 HydrophobicContact CZ3-CG 4.18Å; K179-K225 PolarHBondContact O-NZ 3.31Å; F181-K225 HydrophobicContact CE2-CD 4.07Å; F181-K225 HydrophobicContact CZ-CD 4.14Å; K225-S233 CarbonylContact O-C 3.58Å; K225-S233 WeakPolarHBondContact O-CA 3.44Å; K225-F234 PolarHBondContact N-O 3.18Å; K225-F234 PolarHBondContact O-N 3.24Å; K225-L272 HydrophobicContact CD-CD2 4.09Å
226S96.5Very high96.4Very high28 Ų2836.6 Ų36.620%0.19618%0.184CC..EExtended strand (participates in β ladder)trans-73.4141.9-176.9-57.40000112.9K178K178-S226 WeakPolarHBondContact CB-O 3.04Å; K178-S226 PolarHBondContact N-O 3.34Å
227F93.7Very high96.5Very high2 Ų232 Ų321%0.00916%0.155CC..BIsolated β-bridgetrans-79170.8163.5-65.1-74.4000110.8F173 G175 K176 W177 N229 F232 F234 V331 V364F173-F227 HydrophobicContact CE1-CD1 4.48Å; F173-F227 HydrophobicContact CE1-CD2 4.21Å; F173-F227 HydrophobicContact CE1-CE1 4.04Å; F173-F227 AromaticContact CE1-CE2 3.74Å; F173-F227 HydrophobicContact CE1-CE2 3.74Å; F173-F227 AromaticContact CE1-CZ 3.64Å; F173-F227 HydrophobicContact CE1-CZ 3.64Å; F173-F227 AromaticContact CZ-CD2 3.87Å; F173-F227 HydrophobicContact CZ-CD2 3.87Å; F173-F227 AromaticContact CZ-CE2 3.82Å; F173-F227 HydrophobicContact CZ-CE2 3.82Å; F173-F227 HydrophobicContact CZ-CG 4.27Å; F173-F227 HydrophobicContact CZ-CZ 4.16Å; G175-F227 VanDerWaalsContact C-CD1 3.5Å; G175-F227 VanDerWaalsContact O-CD1 3.27Å; G175-F227 WeakPolarHBondContact O-CD1 3.29Å; G175-F227 WeakPolarHBondContact O-CE1 3.32Å; K176-F227 CarbonylContact O-C 3.5Å; K176-F227 VanDerWaalsContact O-CA 3.25Å; K176-F227 WeakPolarHBondContact O-CA 3.15Å; K176-F227 WeakPolarHBondContact O-CB 3.16Å; K176-F227 WeakPolarHBondContact O-CD1 3.3Å; W177-F227 HydrophobicContact CD2-CD1 4.44Å; W177-F227 HydrophobicContact CD2-CE1 4.26Å; W177-F227 AromaticContact CE3-CD1 3.7Å; W177-F227 HydrophobicContact CE3-CD1 3.7Å; W177-F227 AromaticContact CE3-CE1 3.56Å; W177-F227 HydrophobicContact CE3-CE1 3.56Å; W177-F227 HydrophobicContact CE3-CG 4.5Å; W177-F227 HydrophobicContact CE3-CZ 4.25Å; W177-F227 AromaticContact CH2-CE1 3.69Å; W177-F227 HydrophobicContact CH2-CE1 3.69Å; W177-F227 AromaticContact CH2-CZ 3.85Å; W177-F227 HydrophobicContact CH2-CZ 3.85Å; W177-F227 HydrophobicContact CZ2-CE1 4.38Å; W177-F227 AromaticContact CZ3-CD1 3.81Å; W177-F227 HydrophobicContact CZ3-CD1 3.81Å; W177-F227 AromaticContact CZ3-CE1 3.23Å; W177-F227 HydrophobicContact CZ3-CE1 3.23Å; W177-F227 HydrophobicContact CZ3-CE2 4.25Å; W177-F227 AromaticContact CZ3-CZ 3.49Å; W177-F227 HydrophobicContact CZ3-CZ 3.49Å; W177-F227 VanDerWaalsContact CZ3-CZ 3.49Å; F227-N229 CarbonylContact O-C 3.51Å; F227-N229 PolarHBondContact O-N 2.77Å; F227-F232 HydrophobicContact CB-CB 4.44Å; F227-F232 HydrophobicContact CD2-CB 3.65Å; F227-F232 WeakPolarHBondContact CD2-O 3.4Å; F227-F232 HydrophobicContact CE2-CB 4.41Å; F227-F232 HydrophobicContact CG-CB 4.45Å; F227-F232 PolarHBondContact N-O 2.83Å; F227-F234 HydrophobicContact CE2-CB 4.05Å; F227-F234 HydrophobicContact CZ-CB 3.86Å; F227-V331 HydrophobicContact CE1-CB 3.88Å; F227-V331 HydrophobicContact CE1-CG2 3.77Å; F227-V331 HydrophobicContact CZ-CB 3.91Å; F227-V331 HydrophobicContact CZ-CG2 3.57Å; F227-V364 HydrophobicContact CE2-CG1 4.24Å
228M90.9Very high96.5Very high120 Ų12024 Ų2459%0.59112%0.12SC*.SBendtrans-53-42.5175.5-82.6-63.6-65.400111.4K176 W177 P230K176-M228 HydrophobicContact CB-CG 3.89Å; K176-M228 PolarHBondContact O-N 3.35Å; W177-M228 WeakPolarHBondContact O-CG 3.36Å; M228-P230 VanDerWaalsContact O-CD 3.32Å; M228-P230 WeakPolarHBondContact O-CD 3.38Å
229N90.1Very high96.5Very high44 Ų4421.1 Ų21.124%0.23511%0.109CC..SBendtrans-79.5112.5162.6-175.5-13.6000109.3E86 F227 R231 F232E86-N229 WeakPolarHBondContact OE1-CB 3.39Å; E86-N229 PolarHBondContact OE1-ND2 2.93Å; E86-N229 PolarHBondContact OE2-ND2 3.23Å; F227-N229 CarbonylContact O-C 3.51Å; F227-N229 PolarHBondContact O-N 2.77Å; N229-R231 PolarHBondContact O-N 2.92Å; N229-R231 VanDerWaalsContact O-N 3.11Å; N229-R231 WeakPolarHBondContact OD1-CB 3.18Å; N229-R231 PolarHBondContact OD1-N 3.11Å; N229-F232 HydrophobicContact CB-CD2 4.3Å; N229-F232 PolarHBondContact O-N 2.84Å; N229-F232 VanDerWaalsContact O-N 3.08Å
230P90.4Very high96.4Very high83 Ų8320.4 Ų20.454%0.53911%0.111SC..THydrogen-bonded Turntrans-67.9-9.4-177.530.6-37.4000113.9M228 F232M228-P230 VanDerWaalsContact O-CD 3.32Å; M228-P230 WeakPolarHBondContact O-CD 3.38Å; P230-F232 PolarHBondContact O-N 2.98Å
231R93.6Very high96.2Very high39 Ų3923.9 Ų23.915%0.14713%0.127CC..THydrogen-bonded Turntrans-57.8-37.1168.3173.3174.6175.4-177.2-3.7111.4N82 N229 D366 K367 I368N82-R231 PolarHBondContact O-NH1 3.42Å; N82-R231 PolarHBondContact O-NH2 3.08Å; N82-R231 VanDerWaalsContact OD1-CZ 3.25Å; N82-R231 PolarHBondContact OD1-NH1 3.5Å; N82-R231 PolarHBondContact OD1-NH2 3.48Å; N229-R231 PolarHBondContact O-N 2.92Å; N229-R231 VanDerWaalsContact O-N 3.11Å; N229-R231 WeakPolarHBondContact OD1-CB 3.18Å; N229-R231 PolarHBondContact OD1-N 3.11Å; R231-D366 WeakPolarHBondContact CG-OD1 3.38Å; R231-D366 IonicContact CZ-OD1 2.68Å; R231-D366 IonicContact CZ-OD2 3.94Å; R231-D366 VanDerWaalsContact NE-CG 3.32Å; R231-D366 IonicContact NE-OD1 2.78Å; R231-D366 PolarHBondContact NE-OD1 2.66Å; R231-D366 VanDerWaalsContact NE-OD1 3.14Å; R231-D366 IonicContact NE-OD2 3.88Å; R231-D366 PolarHBondContact NE-OD2 2.91Å; R231-D366 IonicContact NH2-OD1 2.99Å; R231-D366 IonicContact NH2-OD2 2.71Å; R231-D366 PolarHBondContact NH2-OD2 3.14Å; R231-K367 WeakPolarHBondContact O-CB 3.45Å; R231-K367 WeakPolarHBondContact O-CG 3.24Å; R231-K367 PolarHBondContact O-N 2.84Å; R231-I368 HydrophobicContact CB-CG1 4.38Å; R231-I368 HydrophobicContact CG-CB 4.33Å; R231-I368 HydrophobicContact CG-CG1 3.85Å
232F94.6Very high95.8Very high2 Ų227.2 Ų27.21%0.00915%0.153CC..EExtended strand (participates in β ladder)trans-105.1144.1-175.8-54.6-62.9000111.4E86 V93 I94 F173 F227 N229 P230 Y365 D366 L373E86-F232 WeakPolarHBondContact OE2-CE2 3.46Å; V93-F232 HydrophobicContact CG1-CE2 4.18Å; I94-F232 HydrophobicContact CD1-CE1 3.9Å; I94-F232 HydrophobicContact CD1-CE2 4.33Å; I94-F232 HydrophobicContact CD1-CZ 3.57Å; F173-F232 HydrophobicContact CE2-CB 4.21Å; F173-F232 HydrophobicContact CE2-CD1 4.36Å; F173-F232 AromaticContact CE2-CD2 3.92Å; F173-F232 HydrophobicContact CE2-CD2 3.92Å; F173-F232 HydrophobicContact CE2-CE2 4.38Å; F173-F232 AromaticContact CE2-CG 3.91Å; F173-F232 HydrophobicContact CE2-CG 3.91Å; F173-F232 HydrophobicContact CZ-CB 4.05Å; F173-F232 HydrophobicContact CZ-CD2 4.41Å; F173-F232 HydrophobicContact CZ-CG 4.25Å; F227-F232 HydrophobicContact CB-CB 4.44Å; F227-F232 HydrophobicContact CD2-CB 3.65Å; F227-F232 WeakPolarHBondContact CD2-O 3.4Å; F227-F232 HydrophobicContact CE2-CB 4.41Å; F227-F232 HydrophobicContact CG-CB 4.45Å; F227-F232 PolarHBondContact N-O 2.83Å; N229-F232 HydrophobicContact CB-CD2 4.3Å; N229-F232 PolarHBondContact O-N 2.84Å; N229-F232 VanDerWaalsContact O-N 3.08Å; P230-F232 PolarHBondContact O-N 2.98Å; F232-Y365 VanDerWaalsContact CA-O 3.29Å; F232-Y365 WeakPolarHBondContact CA-O 3.39Å; F232-D366 HydrophobicContact CD1-CB 4.15Å; F232-D366 HydrophobicContact CE1-CB 4Å; F232-L373 HydrophobicContact CD1-CD1 3.79Å; F232-L373 HydrophobicContact CE1-CD1 3.67Å; F232-L373 HydrophobicContact CZ-CD1 4.48Å
233S96.8Very high95.3Very high0 Ų028.9 Ų28.90%017%0.169CC..EExtended strand (participates in β ladder)trans-141.2149.4172.651.30000111.5S224 K225 Y365 K367S224-S233 VanDerWaalsContact OG-CB 3.3Å; S224-S233 WeakPolarHBondContact OG-CB 3.37Å; S224-S233 PolarHBondContact OG-OG 2.91Å; K225-S233 CarbonylContact O-C 3.58Å; K225-S233 WeakPolarHBondContact O-CA 3.44Å; S233-Y365 PolarHBondContact N-O 2.84Å; S233-Y365 PolarHBondContact O-N 2.83Å; S233-K367 WeakPolarHBondContact OG-CE 3.31Å
234F98.2Very high95.1Very high1 Ų132.7 Ų32.70%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-93118.8167-169.3-109.8000109.2W177 K225 F227 V236 L274 F277 L324 V326 V331 C362 Y363 V364W177-F234 HydrophobicContact CH2-CB 3.43Å; W177-F234 VanDerWaalsContact CH2-CB 3.43Å; W177-F234 AromaticContact CH2-CD1 3.94Å; W177-F234 HydrophobicContact CH2-CD1 3.94Å; W177-F234 HydrophobicContact CH2-CD2 4.45Å; W177-F234 AromaticContact CH2-CG 3.71Å; W177-F234 HydrophobicContact CH2-CG 3.71Å; W177-F234 HydrophobicContact CZ3-CB 3.4Å; W177-F234 VanDerWaalsContact CZ3-CB 3.4Å; W177-F234 HydrophobicContact CZ3-CG 4.21Å; K225-F234 PolarHBondContact N-O 3.18Å; K225-F234 PolarHBondContact O-N 3.24Å; F227-F234 HydrophobicContact CE2-CB 4.05Å; F227-F234 HydrophobicContact CZ-CB 3.86Å; F234-V236 HydrophobicContact CD1-CG2 3.74Å; F234-V236 HydrophobicContact CE1-CG2 3.39Å; F234-V236 HydrophobicContact CZ-CG2 4.35Å; F234-L274 HydrophobicContact CE1-CD1 4.29Å; F234-L274 HydrophobicContact CE1-CD2 4.39Å; F234-F277 HydrophobicContact CZ-CZ 4.48Å; F234-L324 HydrophobicContact CE2-CD1 4.49Å; F234-L324 HydrophobicContact CE2-CD2 4.03Å; F234-L324 HydrophobicContact CZ-CD2 4.43Å; F234-V326 HydrophobicContact CE2-CG2 4.24Å; F234-V326 HydrophobicContact CZ-CG2 4.01Å; F234-V331 HydrophobicContact CD2-CG2 4.21Å; F234-C362 HydrophobicContact CE1-CB 4.35Å; F234-C362 HydrophobicContact CE2-CB 4.04Å; F234-C362 HydrophobicContact CZ-CB 3.66Å; F234-Y363 CarbonylContact C-O 3.47Å; F234-Y363 WeakPolarHBondContact CA-O 3.47Å; F234-Y363 WeakPolarHBondContact CD2-O 3.33Å; F234-V364 HydrophobicContact CD2-CG2 4.13Å
235I98.7Very high95Very high0 Ų033 Ų330%019%0.188CC..EExtended strand (participates in β ladder)trans-100.2135.2179-60.6175.8000108.2M222 I223 I237 L258 V262 C362 Y363 Y365M222-I235 HydrophobicContact SD-CG2 4.31Å; I223-I235 VanDerWaalsContact O-CA 3.24Å; I223-I235 WeakPolarHBondContact O-CA 3.42Å; I223-I235 WeakPolarHBondContact O-CG2 3.4Å; I235-I237 HydrophobicContact CG2-CD1 4.43Å; I235-I237 HydrophobicContact CG2-CG1 3.91Å; I235-L258 HydrophobicContact CD1-CD1 4.15Å; I235-L258 HydrophobicContact CD1-CD2 4.43Å; I235-V262 HydrophobicContact CD1-CG2 3.51Å; I235-C362 CarbonylContact O-C 3.52Å; I235-C362 WeakPolarHBondContact O-CA 3.42Å; I235-C362 WeakPolarHBondContact O-CB 3.35Å; I235-Y363 HydrophobicContact CB-CD2 4.3Å; I235-Y363 HydrophobicContact CG2-CD2 4.24Å; I235-Y363 PolarHBondContact N-O 3.06Å; I235-Y363 PolarHBondContact O-N 3.38Å; I235-Y365 HydrophobicContact CD1-CD1 4.18Å; I235-Y365 HydrophobicContact CD1-CD2 4.26Å; I235-Y365 HydrophobicContact CD1-CG 3.75Å
236V98.8Very high94.8Very high0 Ų036.8 Ų36.80%021%0.205CC..EExtended strand (participates in β ladder)trans-124.5130.3169.1-178.90000108.4M222 I223 F234 L274 F354 V356 F360 I361M222-V236 CarbonylContact C-O 3.59Å; M222-V236 WeakPolarHBondContact CA-O 3.36Å; M222-V236 WeakPolarHBondContact CB-O 3.39Å; I223-V236 HydrophobicContact CD1-CB 4.4Å; I223-V236 HydrophobicContact CD1-CG2 4.49Å; I223-V236 HydrophobicContact CG1-CB 3.95Å; I223-V236 PolarHBondContact N-O 3.46Å; I223-V236 PolarHBondContact O-N 2.89Å; I223-V236 VanDerWaalsContact O-N 3.13Å; F234-V236 HydrophobicContact CD1-CG2 3.74Å; F234-V236 HydrophobicContact CE1-CG2 3.39Å; F234-V236 HydrophobicContact CZ-CG2 4.35Å; V236-L274 HydrophobicContact CG2-CD1 3.99Å; V236-F354 HydrophobicContact CB-CE1 4.11Å; V236-F354 HydrophobicContact CG1-CE1 3.89Å; V236-F354 HydrophobicContact CG1-CZ 4.34Å; V236-V356 HydrophobicContact CG1-CG1 3.95Å; V236-V356 HydrophobicContact CG1-CG2 3.79Å; V236-F360 HydrophobicContact CG1-CB 4.13Å; V236-F360 HydrophobicContact CG1-CD2 3.78Å; V236-F360 HydrophobicContact CG1-CE2 4.48Å; V236-F360 HydrophobicContact CG1-CG 4.13Å; V236-I361 WeakPolarHBondContact CA-O 3.27Å
237I98.8Very high94.8Very high0 Ų037.9 Ų37.90%021%0.205CC..EExtended strand (participates in β ladder)trans-119.7127.9178.8-44.9-177.9000108I220 M222 I235 A248 V251 L258 I361 Y363I220-I237 HydrophobicContact CB-CG2 3.93Å; I220-I237 HydrophobicContact CD1-CG2 3.93Å; I220-I237 HydrophobicContact CG1-CG2 4.4Å; I220-I237 HydrophobicContact CG2-CG2 4.16Å; M222-I237 HydrophobicContact CB-CB 4.25Å; M222-I237 HydrophobicContact CB-CG1 3.89Å; M222-I237 HydrophobicContact CB-CG2 4.33Å; M222-I237 HydrophobicContact CE-CB 4.49Å; M222-I237 HydrophobicContact CE-CD1 3.48Å; M222-I237 VanDerWaalsContact CE-CD1 3.48Å; M222-I237 HydrophobicContact CE-CG1 3.72Å; M222-I237 HydrophobicContact CE-CG2 4.09Å; M222-I237 HydrophobicContact SD-CG1 4.44Å; I235-I237 HydrophobicContact CG2-CD1 4.43Å; I235-I237 HydrophobicContact CG2-CG1 3.91Å; I237-A248 HydrophobicContact CB-CB 4.44Å; I237-A248 HydrophobicContact CG2-CB 3.88Å; I237-V251 HydrophobicContact CD1-CB 3.97Å; I237-V251 HydrophobicContact CD1-CG1 3.7Å; I237-V251 HydrophobicContact CD1-CG2 4.15Å; I237-L258 HydrophobicContact CD1-CD1 4.28Å; I237-I361 HydrophobicContact CB-CB 4.23Å; I237-I361 PolarHBondContact N-O 2.86Å; I237-I361 PolarHBondContact O-N 3.01Å; I237-Y363 HydrophobicContact CD1-CD2 4.34Å; I237-Y363 HydrophobicContact CD1-CE2 3.7Å; I237-Y363 HydrophobicContact CG1-CE2 4.47Å
238L98.5Very high95Very high4 Ų437.8 Ų37.82%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-122146.8175.7-74.9167.5000109.4I220 H221 F354 D355 V356 E358 F360I220-L238 VanDerWaalsContact CA-O 3.31Å; I220-L238 WeakPolarHBondContact CA-O 3.47Å; H221-L238 PolarHBondContact CD2-O 3.28Å; H221-L238 PolarHBondContact N-O 2.97Å; H221-L238 WeakPolarHBondContact NE2-CB 3.35Å; H221-L238 PolarHBondContact O-N 3.01Å; L238-F354 HydrophobicContact CB-CZ 4.33Å; L238-F354 HydrophobicContact CD1-CD1 4.21Å; L238-F354 HydrophobicContact CD1-CE1 3.63Å; L238-F354 HydrophobicContact CD1-CE2 4.41Å; L238-F354 HydrophobicContact CD1-CZ 3.75Å; L238-F354 HydrophobicContact CG-CE1 4.29Å; L238-F354 HydrophobicContact CG-CZ 4.12Å; L238-D355 WeakPolarHBondContact CD1-O 3.48Å; L238-V356 HydrophobicContact CD1-CG2 4.25Å; L238-E358 HydrophobicContact CD2-CG 3.78Å; L238-F360 HydrophobicContact CD2-CB 3.61Å; L238-F360 HydrophobicContact CG-CB 4.31Å
239P97.4Very high95.2Very high4 Ų433 Ų333%0.02618%0.182CC..EExtended strand (participates in β ladder)trans-66.9149.1166.832.6-35.3000110.3K219 E241 K244 Y247K219-P239 CarbonylContact O-C 3.58Å; K219-P239 WeakPolarHBondContact O-CA 3.49Å; P239-E241 WeakPolarHBondContact CB-O 3.41Å; P239-E241 WeakPolarHBondContact CG-O 3.43Å; P239-K244 HydrophobicContact CB-CB 4.24Å; P239-K244 WeakPolarHBondContact CB-O 3.17Å; P239-Y247 HydrophobicContact CB-CD2 4.32Å
240T96.6Very high95.5Very high59 Ų5933 Ų3336%0.36218%0.182SC..SBendtrans-76.3-17.7173.352.40000112.5L214 K219L214-T240 HydrophobicContact CD1-CG2 3.72Å; K219-T240 VanDerWaalsContact C-OG1 3.28Å; K219-T240 WeakPolarHBondContact CA-OG1 3.32Å; K219-T240 PolarHBondContact O-N 2.64Å; K219-T240 PolarHBondContact O-OG1 3.44Å; K219-T240 VanDerWaalsContact O-OG1 3.13Å
241E94.3Very high95.9Very high72 Ų7229.3 Ų29.334%0.33616%0.158SC..SBendtrans-107121.7175.3-67.4171.4-15200108.3K219 P239 G243 K244 Y247K219-E241 WeakPolarHBondContact CD-OE1 3.15Å; K219-E241 WeakPolarHBondContact CE-OE1 3.45Å; K219-E241 IonicContact NZ-OE1 3.14Å; K219-E241 PolarHBondContact NZ-OE1 2.96Å; K219-E241 IonicContact NZ-OE2 2.64Å; P239-E241 WeakPolarHBondContact CB-O 3.41Å; P239-E241 WeakPolarHBondContact CG-O 3.43Å; E241-G243 PolarHBondContact O-N 3.01Å; E241-K244 HydrophobicContact CB-CB 4.05Å; E241-K244 HydrophobicContact CB-CG 3.71Å; E241-K244 WeakPolarHBondContact O-CB 3.39Å; E241-K244 PolarHBondContact O-N 3.22Å; E241-Y247 HydrophobicContact CB-CE2 4.28Å; E241-Y247 HydrophobicContact CG-CE2 4.46Å; E241-Y247 WeakPolarHBondContact OE2-CE2 3.1Å; E241-Y247 PolarHBondContact OE2-OH 3.21Å
242P89.1Confident96Very high107 Ų10727.4 Ų27.470%0.69515%0.151SC*.THydrogen-bonded Turntrans-56.5138.2-178.2-28.335.5000113.3K244 E358P242-K244 PolarHBondContact O-N 3.42Å; P242-E358 WeakPolarHBondContact CA-OE2 3.14Å
243G88.9Confident96.1Very high34 Ų3430.4 Ų30.435%0.35116%0.162SC..THydrogen-bonded Turntrans73.93.6179.300000114.9N194 E241 L245 E358N194-G243 PolarHBondContact OD1-O 2.89Å; E241-G243 PolarHBondContact O-N 3.01Å; G243-L245 VanDerWaalsContact C-N 3.34Å; G243-L245 PolarHBondContact O-N 2.75Å; G243-E358 PolarHBondContact N-OE2 3.3Å
244K94.5Very high95.8Very high82 Ų8231.1 Ų31.136%0.35717%0.169SC..  trans-97.149.2178.6-61.8-66.1-175.7-176.70113P239 E241 P242 E246 Y247P239-K244 HydrophobicContact CB-CB 4.24Å; P239-K244 WeakPolarHBondContact CB-O 3.17Å; E241-K244 HydrophobicContact CB-CB 4.05Å; E241-K244 HydrophobicContact CB-CG 3.71Å; E241-K244 WeakPolarHBondContact O-CB 3.39Å; E241-K244 PolarHBondContact O-N 3.22Å; P242-K244 PolarHBondContact O-N 3.42Å; K244-E246 VanDerWaalsContact CA-OE2 3.29Å; K244-E246 WeakPolarHBondContact CA-OE2 3.47Å; K244-E246 WeakPolarHBondContact CD-OE1 3.2Å; K244-E246 IonicContact NZ-OE1 2.64Å; K244-E246 PolarHBondContact NZ-OE1 3.37Å; K244-E246 PolarHBondContact O-N 3.3Å; K244-Y247 HydrophobicContact CB-CD2 3.45Å; K244-Y247 VanDerWaalsContact CB-CD2 3.45Å; K244-Y247 HydrophobicContact CB-CE2 3.33Å; K244-Y247 HydrophobicContact CB-CG 4.39Å; K244-Y247 HydrophobicContact CD-CE2 4.3Å; K244-Y247 HydrophobicContact CG-CD2 4.37Å; K244-Y247 HydrophobicContact CG-CE2 3.75Å; K244-Y247 WeakPolarHBondContact O-CD2 3.33Å; K244-Y247 PolarHBondContact O-N 3.49Å; K244-Y247 VanDerWaalsContact O-N 3.08Å
245L96Very high95.6Very high8 Ų836.5 Ų36.54%0.04219%0.194CC..Hα-helixtrans-56-27.3-176.5-175.364.3000112.4G243 Y247 A248 D249 S359 I361 R377 I379G243-L245 VanDerWaalsContact C-N 3.34Å; G243-L245 PolarHBondContact O-N 2.75Å; L245-Y247 PolarHBondContact O-N 3.27Å; L245-Y247 VanDerWaalsContact O-N 3.1Å; L245-A248 HydrophobicContact CD1-CB 4.28Å; L245-A248 PolarHBondContact O-N 3.12Å; L245-D249 PolarHBondContact O-N 2.84Å; L245-S359 WeakPolarHBondContact CD1-O 3.28Å; L245-I361 HydrophobicContact CD1-CD1 4.17Å; L245-I361 HydrophobicContact CD1-CG1 4.25Å; L245-R377 HydrophobicContact CD2-CG 3.93Å; L245-I379 HydrophobicContact CD2-CD1 3.41Å; L245-I379 VanDerWaalsContact CD2-CD1 3.41Å
246E94.8Very high95.4Very high84 Ų8437.2 Ų37.239%0.39320%0.198SC..Hα-helixtrans-51.6-32.6175.961.8-92.4-151.200113.5K244 D249 N250K244-E246 VanDerWaalsContact CA-OE2 3.29Å; K244-E246 WeakPolarHBondContact CA-OE2 3.47Å; K244-E246 WeakPolarHBondContact CD-OE1 3.2Å; K244-E246 IonicContact NZ-OE1 2.64Å; K244-E246 PolarHBondContact NZ-OE1 3.37Å; K244-E246 PolarHBondContact O-N 3.3Å; E246-D249 WeakPolarHBondContact O-CB 3.41Å; E246-D249 PolarHBondContact O-N 3.27Å; E246-N250 PolarHBondContact O-N 3.14Å; E246-N250 PolarHBondContact O-ND2 3.44Å; E246-N250 PolarHBondContact O-OD1 3.4Å
247Y96.3Very high95.1Very high50 Ų5041.4 Ų41.420%0.19622%0.216CC..Hα-helixtrans-68.4-37.9177.4-58.4-39.1000112.6K219 P239 E241 K244 L245K219-Y247 HydrophobicContact CB-CD2 3.61Å; K219-Y247 HydrophobicContact CB-CE2 4Å; K219-Y247 HydrophobicContact CB-CG 3.91Å; K219-Y247 HydrophobicContact CD-CD1 4.21Å; K219-Y247 HydrophobicContact CD-CD2 3.88Å; K219-Y247 HydrophobicContact CD-CE1 3.8Å; K219-Y247 HydrophobicContact CD-CE2 3.43Å; K219-Y247 VanDerWaalsContact CD-CE2 3.43Å; K219-Y247 HydrophobicContact CD-CG 4.25Å; K219-Y247 HydrophobicContact CG-CD2 4.46Å; K219-Y247 HydrophobicContact CG-CE2 4.42Å; K219-Y247 PolarHBondContact NZ-OH 3.09Å; P239-Y247 HydrophobicContact CB-CD2 4.32Å; E241-Y247 HydrophobicContact CB-CE2 4.28Å; E241-Y247 HydrophobicContact CG-CE2 4.46Å; E241-Y247 WeakPolarHBondContact OE2-CE2 3.1Å; E241-Y247 PolarHBondContact OE2-OH 3.21Å; K244-Y247 HydrophobicContact CB-CD2 3.45Å; K244-Y247 VanDerWaalsContact CB-CD2 3.45Å; K244-Y247 HydrophobicContact CB-CE2 3.33Å; K244-Y247 HydrophobicContact CB-CG 4.39Å; K244-Y247 HydrophobicContact CD-CE2 4.3Å; K244-Y247 HydrophobicContact CG-CD2 4.37Å; K244-Y247 HydrophobicContact CG-CE2 3.75Å; K244-Y247 WeakPolarHBondContact O-CD2 3.33Å; K244-Y247 PolarHBondContact O-N 3.49Å; K244-Y247 VanDerWaalsContact O-N 3.08Å; L245-Y247 PolarHBondContact O-N 3.27Å; L245-Y247 VanDerWaalsContact O-N 3.1Å
248A97.3Very high95Very high0 Ų042.2 Ų42.20%022%0.22CC..Hα-helixtrans-75.3-30.217400000111.5I220 I237 L245 N250 V251 I361I220-A248 HydrophobicContact CG2-CB 4.05Å; I237-A248 HydrophobicContact CB-CB 4.44Å; I237-A248 HydrophobicContact CG2-CB 3.88Å; L245-A248 HydrophobicContact CD1-CB 4.28Å; L245-A248 PolarHBondContact O-N 3.12Å; A248-N250 VanDerWaalsContact C-N 3.26Å; A248-N250 PolarHBondContact O-N 2.75Å; A248-V251 WeakPolarHBondContact O-CB 3.01Å; A248-V251 PolarHBondContact O-N 2.85Å; A248-I361 HydrophobicContact CB-CB 4.43Å; A248-I361 HydrophobicContact CB-CG1 3.69Å
249D96Very high94.8Very high19 Ų1943.8 Ų43.810%0.10223%0.231CC..Hα-helixtrans-61.8-33179.2-149.865.7000113.5L245 E246 V251 L252 R253 R377L245-D249 PolarHBondContact O-N 2.84Å; E246-D249 WeakPolarHBondContact O-CB 3.41Å; E246-D249 PolarHBondContact O-N 3.27Å; D249-V251 PolarHBondContact O-N 3.05Å; D249-V251 VanDerWaalsContact O-N 3.11Å; D249-L252 WeakPolarHBondContact O-CA 3.47Å; D249-L252 WeakPolarHBondContact O-CB 3.13Å; D249-L252 PolarHBondContact O-N 3.44Å; D249-R253 PolarHBondContact O-N 3.42Å; D249-R253 WeakPolarHBondContact OD2-CD 3.14Å; D249-R377 IonicContact OD1-CZ 3.36Å; D249-R377 IonicContact OD1-NE 4Å; D249-R377 PolarHBondContact OD1-NE 2.98Å; D249-R377 IonicContact OD1-NH2 3.45Å; D249-R377 PolarHBondContact OD1-NH2 3.26Å; D249-R377 IonicContact OD2-CZ 2.69Å; D249-R377 IonicContact OD2-NH2 3.18Å; D249-R377 PolarHBondContact OD2-NH2 3.19Å
250N96.3Very high94.7Very high46 Ų4647.3 Ų47.325%0.24625%0.247CC..Hα-helixtrans-59.3-23.1173.5-64.3-21000112.7E246 A248 G254 E255 I256E246-N250 PolarHBondContact O-N 3.14Å; E246-N250 PolarHBondContact O-ND2 3.44Å; E246-N250 PolarHBondContact O-OD1 3.4Å; A248-N250 VanDerWaalsContact C-N 3.26Å; A248-N250 PolarHBondContact O-N 2.75Å; N250-G254 PolarHBondContact O-N 3.22Å; N250-E255 HydrophobicContact CB-CB 4.27Å; N250-E255 WeakPolarHBondContact O-CB 3.39Å; N250-E255 PolarHBondContact O-N 3.05Å; N250-E255 PolarHBondContact OD1-OE2 2.89Å; N250-I256 HydrophobicContact CB-CD1 3.85Å; N250-I256 HydrophobicContact CB-CG1 4.24Å; N250-I256 PolarHBondContact O-N 3.28Å
251V97.6Very high94.7Very high4 Ų444.5 Ų44.52%0.02423%0.229CC..Hα-helixtrans-77.8-41.9170.7-168.40000110.8I220 I237 A248 D249 G254 I256 L258 L261 Y363I220-V251 HydrophobicContact CD1-CG2 3.6Å; I237-V251 HydrophobicContact CD1-CB 3.97Å; I237-V251 HydrophobicContact CD1-CG1 3.7Å; I237-V251 HydrophobicContact CD1-CG2 4.15Å; A248-V251 WeakPolarHBondContact O-CB 3.01Å; A248-V251 PolarHBondContact O-N 2.85Å; D249-V251 PolarHBondContact O-N 3.05Å; D249-V251 VanDerWaalsContact O-N 3.11Å; V251-G254 PolarHBondContact O-N 2.71Å; V251-G254 VanDerWaalsContact O-N 3.11Å; V251-I256 HydrophobicContact CG2-CB 4.15Å; V251-I256 HydrophobicContact CG2-CD1 4.15Å; V251-I256 HydrophobicContact CG2-CG2 4.49Å; V251-L258 HydrophobicContact CG1-CB 4.15Å; V251-L258 HydrophobicContact CG1-CD1 4.09Å; V251-L261 HydrophobicContact CG1-CD1 3.94Å; V251-L261 HydrophobicContact CG2-CD1 3.84Å; V251-Y363 VanDerWaalsContact C-OH 3.28Å; V251-Y363 PolarHBondContact O-OH 3.3Å
252L97.5Very high94.9Very high0 Ų042.1 Ų42.10%022%0.22CC..Hα-helixtrans-60.8-46177.6-178.959.8000112L18 A22 Y28 D249 G254 I361 Y363 A375 R377L18-L252 VanDerWaalsContact CB-O 3.29Å; L18-L252 WeakPolarHBondContact CB-O 3.4Å; L18-L252 WeakPolarHBondContact CD1-O 3.17Å; L18-L252 HydrophobicContact CD2-CD1 4.11Å; A22-L252 HydrophobicContact CB-CD2 3.96Å; A22-L252 HydrophobicContact CB-CG 3.99Å; Y28-L252 HydrophobicContact CD1-CD2 4.3Å; D249-L252 WeakPolarHBondContact O-CA 3.47Å; D249-L252 WeakPolarHBondContact O-CB 3.13Å; D249-L252 PolarHBondContact O-N 3.44Å; L252-G254 PolarHBondContact O-N 2.95Å; L252-I361 HydrophobicContact CB-CD1 4.31Å; L252-I361 HydrophobicContact CB-CG2 4.03Å; L252-I361 HydrophobicContact CD2-CD1 4.01Å; L252-Y363 WeakPolarHBondContact CA-OH 3.26Å; L252-Y363 HydrophobicContact CD1-CE1 4.42Å; L252-Y363 PolarHBondContact N-OH 3.15Å; L252-A375 HydrophobicContact CD1-CB 3.79Å; L252-R377 HydrophobicContact CD2-CB 3.78Å
253R95Very high95.2Very high64 Ų6441.3 Ų41.324%0.24222%0.217CC..THydrogen-bonded Turntrans-770177.4-63.4-179.559.7-121.3-10113.2D19 D249 E255D19-R253 IonicContact OD1-CZ 3.94Å; D19-R253 IonicContact OD1-NE 2.94Å; D19-R253 PolarHBondContact OD1-NE 3.16Å; D19-R253 IonicContact OD1-NH2 2.66Å; D19-R253 PolarHBondContact OD1-NH2 3.39Å; D249-R253 PolarHBondContact O-N 3.42Å; D249-R253 WeakPolarHBondContact OD2-CD 3.14Å; R253-E255 VanDerWaalsContact C-N 3.26Å; R253-E255 IonicContact CZ-OE1 3.76Å; R253-E255 IonicContact NH1-OE1 2.83Å; R253-E255 PolarHBondContact NH1-OE1 2.87Å; R253-E255 IonicContact NH2-OE1 3.41Å; R253-E255 PolarHBondContact O-N 2.92Å
254G92.3Very high95.7Very high15 Ų1545 Ų4516%0.15522%0.223CC..THydrogen-bonded Turntrans7014.517400000115.7R15 N250 V251 L252 I256R15-G254 WeakPolarHBondContact CD-O 3.35Å; N250-G254 PolarHBondContact O-N 3.22Å; V251-G254 PolarHBondContact O-N 2.71Å; V251-G254 VanDerWaalsContact O-N 3.11Å; L252-G254 PolarHBondContact O-N 2.95Å; G254-I256 PolarHBondContact O-N 2.93Å
255E92.5Very high95.9Very high114 Ų11442 Ų4253%0.53321%0.211SC..SBendtrans-59.6-33.4165.6-57.1-177.6-167.900110.6N250 R253N250-E255 HydrophobicContact CB-CB 4.27Å; N250-E255 WeakPolarHBondContact O-CB 3.39Å; N250-E255 PolarHBondContact O-N 3.05Å; N250-E255 PolarHBondContact OD1-OE2 2.89Å; R253-E255 VanDerWaalsContact C-N 3.26Å; R253-E255 IonicContact CZ-OE1 3.76Å; R253-E255 IonicContact NH1-OE1 2.83Å; R253-E255 PolarHBondContact NH1-OE1 2.87Å; R253-E255 IonicContact NH2-OE1 3.41Å; R253-E255 PolarHBondContact O-N 2.92Å
256I94.5Very high95.9Very high16 Ų1647 Ų478%0.08223%0.234CC..SBendtrans-112.4119.5170.9-52.7165.4000109.1Y218 N250 V251 G254 L258 L261Y218-I256 HydrophobicContact CD1-CD1 3.5Å; Y218-I256 VanDerWaalsContact CD1-CD1 3.5Å; Y218-I256 HydrophobicContact CD1-CG1 4Å; Y218-I256 HydrophobicContact CD2-CD1 4.44Å; Y218-I256 HydrophobicContact CD2-CG2 4.2Å; Y218-I256 HydrophobicContact CE1-CD1 4.1Å; Y218-I256 HydrophobicContact CE1-CG1 4.08Å; Y218-I256 HydrophobicContact CE1-CG2 4.32Å; Y218-I256 HydrophobicContact CE2-CG2 4.03Å; Y218-I256 HydrophobicContact CG-CD1 3.7Å; Y218-I256 HydrophobicContact CG-CG1 4.48Å; Y218-I256 HydrophobicContact CG-CG2 4.47Å; N250-I256 HydrophobicContact CB-CD1 3.85Å; N250-I256 HydrophobicContact CB-CG1 4.24Å; N250-I256 PolarHBondContact O-N 3.28Å; V251-I256 HydrophobicContact CG2-CB 4.15Å; V251-I256 HydrophobicContact CG2-CD1 4.15Å; V251-I256 HydrophobicContact CG2-CG2 4.49Å; G254-I256 PolarHBondContact O-N 2.93Å; I256-L258 PolarHBondContact O-N 3.4Å; I256-L258 VanDerWaalsContact O-N 3.12Å; I256-L261 HydrophobicContact CG2-CD1 3.72Å; I256-L261 HydrophobicContact CG2-CD2 4.01Å; I256-L261 HydrophobicContact CG2-CG 4.01Å
257K93Very high96Very high88 Ų8846.6 Ų46.638%0.38324%0.241SC..  trans-67.8110.4-177.3-61.4-164.5-180-157.80111.9E7 P259 H260 L261E7-K257 IonicContact OE2-NZ 2.76Å; E7-K257 PolarHBondContact OE2-NZ 2.69Å; K257-P259 VanDerWaalsContact C-CD 3.48Å; K257-H260 HydrophobicContact CB-CB 4.29Å; K257-H260 VanDerWaalsContact O-CB 3.31Å; K257-H260 WeakPolarHBondContact O-CB 3.32Å; K257-H260 PolarHBondContact O-N 3Å; K257-L261 PolarHBondContact O-N 3.11Å
258L95.8Very high96.1Very high16 Ų1647.9 Ų47.98%0.08425%0.247CC..Hα-helixtrans-50.3-45.7176.317967.1000113.8I235 I237 V251 I256 H260 L261 V262 Y363 Y365I235-L258 HydrophobicContact CD1-CD1 4.15Å; I235-L258 HydrophobicContact CD1-CD2 4.43Å; I237-L258 HydrophobicContact CD1-CD1 4.28Å; V251-L258 HydrophobicContact CG1-CB 4.15Å; V251-L258 HydrophobicContact CG1-CD1 4.09Å; I256-L258 PolarHBondContact O-N 3.4Å; I256-L258 VanDerWaalsContact O-N 3.12Å; L258-H260 PolarHBondContact O-N 2.83Å; L258-L261 PolarHBondContact O-N 2.99Å; L258-V262 HydrophobicContact CD1-CG2 3.99Å; L258-V262 HydrophobicContact CG-CG2 4.11Å; L258-V262 WeakPolarHBondContact O-CG2 3.09Å; L258-V262 PolarHBondContact O-N 3.34Å; L258-Y363 HydrophobicContact CD1-CD2 4.25Å; L258-Y363 HydrophobicContact CD1-CE2 4.13Å; L258-Y363 HydrophobicContact CD2-CD1 3.68Å; L258-Y363 HydrophobicContact CD2-CD2 3.92Å; L258-Y363 HydrophobicContact CD2-CE1 3.81Å; L258-Y363 HydrophobicContact CD2-CE2 4.07Å; L258-Y363 HydrophobicContact CD2-CG 3.71Å; L258-Y365 HydrophobicContact CD2-CD2 3.66Å; L258-Y365 HydrophobicContact CD2-CE2 3.83Å; L258-Y365 HydrophobicContact CG-CD2 4.39Å; L258-Y365 HydrophobicContact CG-CE2 4.21Å
259P95.2Very high96.1Very high37 Ų3751.1 Ų51.124%0.2426%0.262CS..Hα-helixtrans-58.7-31.9179.2-25.435.1000113.9K257 S263K257-P259 VanDerWaalsContact C-CD 3.48Å; P259-S263 WeakPolarHBondContact O-CB 3.42Å; P259-S263 PolarHBondContact O-N 3.2Å
260H94.5Very high96.1Very high78 Ų7850.3 Ų50.336%0.36126%0.258SS..Hα-helixtrans-66.9-43.8176.1177.973000111.4K257 L258 S263 K264K257-H260 HydrophobicContact CB-CB 4.29Å; K257-H260 VanDerWaalsContact O-CB 3.31Å; K257-H260 WeakPolarHBondContact O-CB 3.32Å; K257-H260 PolarHBondContact O-N 3Å; L258-H260 PolarHBondContact O-N 2.83Å; H260-S263 PolarHBondContact O-N 3.29Å; H260-S263 PolarHBondContact O-OG 2.94Å; H260-K264 WeakPolarHBondContact CE1-CE 3.47Å; H260-K264 PolarHBondContact CE1-NZ 3.44Å; H260-K264 VanDerWaalsContact CE1-NZ 3.27Å; H260-K264 WeakPolarHBondContact NE2-CE 3.34Å; H260-K264 PolarHBondContact NE2-NZ 2.9Å
261L97.8Very high96.2Very high0 Ų049.1 Ų49.10%026%0.255CS..Hα-helixtrans-65.2-46177.3-57.3178.1000110.8F215 Y218 I220 M222 V251 I256 K257 L258 S263 K264F215-L261 HydrophobicContact CD1-CD2 3.88Å; F215-L261 HydrophobicContact CD2-CD2 4.19Å; F215-L261 HydrophobicContact CE1-CD2 3.89Å; F215-L261 HydrophobicContact CE2-CB 4.14Å; F215-L261 HydrophobicContact CE2-CD2 4.2Å; F215-L261 HydrophobicContact CG-CD2 4.03Å; F215-L261 HydrophobicContact CZ-CB 4Å; F215-L261 HydrophobicContact CZ-CD2 4.06Å; F215-L261 WeakPolarHBondContact CZ-O 3.02Å; Y218-L261 HydrophobicContact CD2-CD2 3.9Å; Y218-L261 HydrophobicContact CE2-CD2 3.85Å; I220-L261 HydrophobicContact CD1-CD1 3.94Å; M222-L261 HydrophobicContact CE-CB 3.76Å; M222-L261 HydrophobicContact CE-CD1 3.39Å; M222-L261 HydrophobicContact CE-CG 4.17Å; M222-L261 HydrophobicContact SD-CB 3.96Å; V251-L261 HydrophobicContact CG1-CD1 3.94Å; V251-L261 HydrophobicContact CG2-CD1 3.84Å; I256-L261 HydrophobicContact CG2-CD1 3.72Å; I256-L261 HydrophobicContact CG2-CD2 4.01Å; I256-L261 HydrophobicContact CG2-CG 4.01Å; K257-L261 PolarHBondContact O-N 3.11Å; L258-L261 PolarHBondContact O-N 2.99Å; L261-S263 VanDerWaalsContact C-N 3.27Å; L261-S263 PolarHBondContact O-N 2.66Å; L261-K264 PolarHBondContact O-N 2.71Å
262V97.9Very high96.3Very high23 Ų2349 Ų4914%0.13925%0.254CS..Hα-helixtrans-58.2-39.5178.1175.20000111.8I235 L258 K264 L265 Y365I235-V262 HydrophobicContact CD1-CG2 3.51Å; L258-V262 HydrophobicContact CD1-CG2 3.99Å; L258-V262 HydrophobicContact CG-CG2 4.11Å; L258-V262 WeakPolarHBondContact O-CG2 3.09Å; L258-V262 PolarHBondContact O-N 3.34Å; V262-K264 PolarHBondContact O-N 3.31Å; V262-K264 VanDerWaalsContact O-N 3.12Å; V262-L265 WeakPolarHBondContact O-CG 3.21Å; V262-L265 PolarHBondContact O-N 2.91Å; V262-Y365 HydrophobicContact CB-CE1 4.39Å; V262-Y365 HydrophobicContact CG1-CD1 4.39Å; V262-Y365 HydrophobicContact CG1-CE1 3.92Å; V262-Y365 HydrophobicContact CG2-CD1 4.48Å; V262-Y365 HydrophobicContact CG2-CE1 4.22Å
263S96.5Very high96.3Very high90 Ų9049.6 Ų49.663%0.62926%0.258SS*.THydrogen-bonded Turntrans-64.7-15179.273.80000114.9P259 H260 L261P259-S263 WeakPolarHBondContact O-CB 3.42Å; P259-S263 PolarHBondContact O-N 3.2Å; H260-S263 PolarHBondContact O-N 3.29Å; H260-S263 PolarHBondContact O-OG 2.94Å; L261-S263 VanDerWaalsContact C-N 3.27Å; L261-S263 PolarHBondContact O-N 2.66Å
264K98.1Very high96.5Very high111 Ų11146.5 Ų46.548%0.48325%0.246SC..THydrogen-bonded Turntrans-104.71.5-178.5-69.1179.6168178.40113.3F215 H260 L261 V262F215-K264 HydrophobicContact CE1-CB 3.89Å; F215-K264 HydrophobicContact CE1-CD 4.01Å; F215-K264 HydrophobicContact CZ-CB 4.13Å; H260-K264 WeakPolarHBondContact CE1-CE 3.47Å; H260-K264 PolarHBondContact CE1-NZ 3.44Å; H260-K264 VanDerWaalsContact CE1-NZ 3.27Å; H260-K264 WeakPolarHBondContact NE2-CE 3.34Å; H260-K264 PolarHBondContact NE2-NZ 2.9Å; L261-K264 PolarHBondContact O-N 2.71Å; V262-K264 PolarHBondContact O-N 3.31Å; V262-K264 VanDerWaalsContact O-N 3.12Å
265L98.5Very high96.7Very high20 Ų2045.8 Ų45.811%0.10524%0.239CC..  trans-72.7140.1178.3-55179.5000110.1E211 F215 M222 S224 V262E211-L265 HydrophobicContact CB-CB 3.95Å; E211-L265 HydrophobicContact CB-CD1 4.32Å; F215-L265 HydrophobicContact CE2-CD2 4.12Å; F215-L265 HydrophobicContact CZ-CD2 4.11Å; M222-L265 HydrophobicContact CG-CD2 3.67Å; M222-L265 HydrophobicContact SD-CD1 4.49Å; M222-L265 HydrophobicContact SD-CD2 3.96Å; S224-L265 VanDerWaalsContact CB-CD1 3.47Å; V262-L265 WeakPolarHBondContact O-CG 3.21Å; V262-L265 PolarHBondContact O-N 2.91Å
266E97.7Very high96.9Very high113 Ų11341 Ų4153%0.52822%0.217SC..EExtended strand (participates in β ladder)trans-120.4145.6178.2-68.8-179.3-176.900109.9E211 Y212 K268E211-E266 CarbonylContact C-O 3.59Å; E211-E266 WeakPolarHBondContact CA-O 3.27Å; Y212-E266 PolarHBondContact N-O 3.35Å; Y212-E266 PolarHBondContact O-N 3.4Å; E266-K268 PolarHBondContact O-N 2.98Å; E266-K268 WeakPolarHBondContact OE2-CE 3.41Å; E266-K268 IonicContact OE2-NZ 2.82Å; E266-K268 PolarHBondContact OE2-NZ 3.42Å
267S96.9Very high96.9Very high75 Ų7540.3 Ų40.352%0.52421%0.213SC..EExtended strand (participates in β ladder)trans-67.4121.9174.3-168.60000110.7S209S209-S267 PolarHBondContact OG-OG 3.48Å
268K96.6Very high96.8Very high77 Ų7741.8 Ų41.834%0.33522%0.216SC..EExtended strand (participates in β ladder)trans-132.6159.7177.8-57.3-66.3177.6-170.70110.6S209 I210 Y212 E266 V270 I352S209-K268 CarbonylContact C-O 3.52Å; S209-K268 VanDerWaalsContact CA-O 3.3Å; S209-K268 WeakPolarHBondContact CA-O 3.47Å; I210-K268 PolarHBondContact N-O 3.48Å; I210-K268 PolarHBondContact O-N 2.84Å; Y212-K268 HydrophobicContact CD1-CG 4.35Å; E266-K268 PolarHBondContact O-N 2.98Å; E266-K268 WeakPolarHBondContact OE2-CE 3.41Å; E266-K268 IonicContact OE2-NZ 2.82Å; E266-K268 PolarHBondContact OE2-NZ 3.42Å; K268-V270 HydrophobicContact CB-CG2 4.29Å; K268-V270 PolarHBondContact O-N 3.32Å; K268-I352 HydrophobicContact CB-CD1 3.68Å; K268-I352 HydrophobicContact CG-CD1 3.82Å
269Q97.1Very high96.4Very high68 Ų6841.7 Ų41.732%0.31822%0.216SC..EExtended strand (participates in β ladder)trans-78.7111.9169.3-64.6-60.7-42.600109.1I352Q269-I352 PolarHBondContact O-N 3.15Å
270V97.7Very high96Very high1 Ų143.5 Ų43.51%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-118.8128.8-175.4-178.40000109.4M207 D208 I210 K268 L272 I352 F354M207-V270 WeakPolarHBondContact CA-O 3.08Å; D208-V270 PolarHBondContact N-O 2.99Å; D208-V270 PolarHBondContact O-N 3.08Å; I210-V270 HydrophobicContact CB-CB 4.23Å; I210-V270 HydrophobicContact CB-CG2 4.14Å; I210-V270 HydrophobicContact CD1-CB 4.36Å; K268-V270 HydrophobicContact CB-CG2 4.29Å; K268-V270 PolarHBondContact O-N 3.32Å; V270-L272 HydrophobicContact CG1-CB 4.32Å; V270-I352 CarbonylContact C-O 3.57Å; V270-I352 WeakPolarHBondContact CA-O 2.64Å; V270-I352 HydrophobicContact CG1-CG2 4.46Å; V270-I352 HydrophobicContact CG2-CB 4.24Å; V270-I352 HydrophobicContact CG2-CG2 4.3Å; V270-F354 HydrophobicContact CG1-CB 3.69Å
271A97.9Very high95.7Very high22 Ų2242.1 Ų42.118%0.18222%0.216CC..EExtended strand (participates in β ladder)trans-84.1102.9158.900000108.2M207 P350 I352 F354M207-A271 HydrophobicContact CG-CB 4.21Å; A271-P350 HydrophobicContact CB-CB 4.03Å; A271-P350 HydrophobicContact CB-CG 3.79Å; A271-I352 PolarHBondContact N-O 3.19Å; A271-F354 PolarHBondContact O-N 2.68Å
272L98.4Very high95.2Very high1 Ų144.2 Ų44.21%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-98.6128-178.5172.162.1000110.1F181 H205 I206 I210 I223 K225 V270 L274 F354 V356F181-L272 HydrophobicContact CE1-CD2 4.22Å; F181-L272 HydrophobicContact CE1-CG 4.37Å; F181-L272 HydrophobicContact CZ-CD2 3.79Å; F181-L272 HydrophobicContact CZ-CG 4.35Å; H205-L272 WeakPolarHBondContact CA-O 3.36Å; I206-L272 HydrophobicContact CG2-CB 4.06Å; I206-L272 HydrophobicContact CG2-CD2 4.4Å; I206-L272 PolarHBondContact N-O 2.94Å; I206-L272 PolarHBondContact O-N 2.86Å; I210-L272 HydrophobicContact CD1-CB 4.01Å; I210-L272 HydrophobicContact CD1-CD2 3.82Å; I223-L272 HydrophobicContact CD1-CD1 3.61Å; I223-L272 HydrophobicContact CD1-CD2 3.68Å; I223-L272 HydrophobicContact CD1-CG 4.28Å; K225-L272 HydrophobicContact CD-CD2 4.09Å; V270-L272 HydrophobicContact CG1-CB 4.32Å; L272-L274 HydrophobicContact CD1-CB 4.35Å; L272-L274 HydrophobicContact CG-CB 4.32Å; L272-F354 WeakPolarHBondContact CA-O 3.17Å; L272-F354 HydrophobicContact CD1-CB 4.43Å; L272-F354 HydrophobicContact CD1-CD1 3.79Å; L272-F354 WeakPolarHBondContact CD1-O 3.31Å; L272-V356 HydrophobicContact CD1-CG2 4.19Å
273S98.6Very high94.9Very high12 Ų1244.3 Ų44.38%0.08423%0.23CC..EExtended strand (participates in β ladder)trans-111.6121.4164-49.20000108.6M204 H205 F354 D355 V356M204-S273 CarbonylContact O-C 3.51Å; M204-S273 WeakPolarHBondContact O-CA 3.07Å; H205-S273 PolarHBondContact CE1-OG 2.77Å; H205-S273 VanDerWaalsContact CE1-OG 3.26Å; H205-S273 WeakPolarHBondContact ND1-CB 3.3Å; H205-S273 PolarHBondContact ND1-OG 3.07Å; S273-F354 PolarHBondContact N-O 2.93Å; S273-D355 WeakPolarHBondContact CB-OD1 3.33Å; S273-D355 PolarHBondContact OG-OD1 3.16Å; S273-V356 WeakPolarHBondContact O-CB 3.35Å; S273-V356 WeakPolarHBondContact O-CG2 3.34Å; S273-V356 PolarHBondContact O-N 3.04Å
274L98.4Very high94.8Very high0 Ų043.9 Ų43.90%022%0.221CC..EExtended strand (participates in β ladder)trans-132.1129.3-176.2-177.372000110.4F181 M204 F234 V236 L272 V326 V356F181-L274 HydrophobicContact CE1-CB 4.44Å; F181-L274 HydrophobicContact CE2-CD2 4.22Å; F181-L274 HydrophobicContact CZ-CB 4.05Å; F181-L274 HydrophobicContact CZ-CD2 4Å; M204-L274 WeakPolarHBondContact CB-O 3.12Å; M204-L274 HydrophobicContact CE-CB 4.24Å; M204-L274 HydrophobicContact CE-CD2 3.91Å; M204-L274 HydrophobicContact CE-CG 4.07Å; M204-L274 PolarHBondContact N-O 3.32Å; M204-L274 PolarHBondContact O-N 2.52Å; F234-L274 HydrophobicContact CE1-CD1 4.29Å; F234-L274 HydrophobicContact CE1-CD2 4.39Å; V236-L274 HydrophobicContact CG2-CD1 3.99Å; L272-L274 HydrophobicContact CD1-CB 4.35Å; L272-L274 HydrophobicContact CG-CB 4.32Å; L274-V326 HydrophobicContact CD2-CG1 3.92Å; L274-V356 HydrophobicContact CD1-CB 4.15Å; L274-V356 HydrophobicContact CD1-CG1 4.25Å; L274-V356 HydrophobicContact CD1-CG2 3.91Å
275P97.5Very high94.7Very high0 Ų038.6 Ų38.60%020%0.198CC..EExtended strand (participates in β ladder)trans-63.1146.6178.122.5-32.8000110.9F191 I201 M203 M204 F277 V356 F360F191-P275 HydrophobicContact CD2-CG 4.34Å; F191-P275 HydrophobicContact CE2-CG 4.21Å; I201-P275 HydrophobicContact CD1-CB 3.81Å; I201-P275 HydrophobicContact CG1-CB 4.3Å; I201-P275 HydrophobicContact CG2-CB 4.29Å; M203-P275 HydrophobicContact CE-CB 4.43Å; M203-P275 HydrophobicContact SD-CB 4.46Å; M203-P275 VanDerWaalsContact SD-N 3.38Å; M204-P275 WeakPolarHBondContact CE-O 3.39Å; P275-F277 HydrophobicContact CB-CD1 4.24Å; P275-F277 HydrophobicContact CG-CD1 4.01Å; P275-F277 HydrophobicContact CG-CE1 4.42Å; P275-F277 WeakPolarHBondContact O-CD1 3.31Å; P275-V356 VanDerWaalsContact CD-O 3.26Å; P275-V356 WeakPolarHBondContact CD-O 3.46Å; P275-V356 HydrophobicContact CG-CG1 4.39Å; P275-F360 HydrophobicContact CG-CE1 4.07Å; P275-F360 HydrophobicContact CG-CZ 4.35Å
276K95.6Very high94.7Very high14 Ų1438.8 Ų38.86%0.06120%0.199CC..  trans-90.1107.8168-165.6-168.9173.6147.20108.2P202 M204 N327 E328 L384 N387P202-K276 HydrophobicContact CB-CB 4.05Å; P202-K276 HydrophobicContact CB-CD 4.39Å; P202-K276 PolarHBondContact O-N 2.97Å; M204-K276 HydrophobicContact CG-CB 4.09Å; M204-K276 HydrophobicContact SD-CB 4.24Å; M204-K276 HydrophobicContact SD-CG 4.28Å; K276-N327 HydrophobicContact CG-CB 4.22Å; K276-E328 WeakPolarHBondContact CD-OE2 3.48Å; K276-E328 WeakPolarHBondContact CE-OE2 3.37Å; K276-E328 VanDerWaalsContact NZ-CD 3.33Å; K276-E328 IonicContact NZ-OE1 2.79Å; K276-E328 PolarHBondContact NZ-OE1 3.05Å; K276-E328 VanDerWaalsContact NZ-OE1 3.14Å; K276-E328 IonicContact NZ-OE2 3.43Å; K276-E328 PolarHBondContact NZ-OE2 3.3Å; K276-L384 HydrophobicContact CD-CB 4.14Å; K276-L384 WeakPolarHBondContact CD-O 3.24Å; K276-L384 HydrophobicContact CG-CB 3.91Å; K276-L384 HydrophobicContact CG-CD1 4.29Å; K276-L384 PolarHBondContact O-N 2.96Å; K276-L384 VanDerWaalsContact O-N 3.08Å; K276-N387 PolarHBondContact NZ-OD1 3.26Å
277F94.2Very high94.6Very high0 Ų038.6 Ų38.60%020%0.198CC..EExtended strand (participates in β ladder)trans-147.2162.2-168.975-84.8000113.9I201 F234 P275 L324 V326 F360 I378 P381 V382 L384I201-F277 HydrophobicContact CD1-CB 4.29Å; F234-F277 HydrophobicContact CZ-CZ 4.48Å; P275-F277 HydrophobicContact CB-CD1 4.24Å; P275-F277 HydrophobicContact CG-CD1 4.01Å; P275-F277 HydrophobicContact CG-CE1 4.42Å; P275-F277 WeakPolarHBondContact O-CD1 3.31Å; F277-L324 HydrophobicContact CE2-CD2 4.18Å; F277-L324 HydrophobicContact CZ-CD2 4.15Å; F277-V326 HydrophobicContact CD1-CB 3.97Å; F277-V326 HydrophobicContact CD1-CG1 4.44Å; F277-V326 HydrophobicContact CD1-CG2 4.29Å; F277-V326 HydrophobicContact CE1-CB 3.73Å; F277-V326 HydrophobicContact CE1-CG1 4.09Å; F277-V326 HydrophobicContact CE1-CG2 3.62Å; F277-V326 HydrophobicContact CE2-CG2 4.28Å; F277-V326 HydrophobicContact CZ-CB 4.21Å; F277-V326 HydrophobicContact CZ-CG2 3.61Å; F277-V326 PolarHBondContact N-O 2.62Å; F277-V326 VanDerWaalsContact N-O 3.13Å; F277-V326 PolarHBondContact O-N 3.22Å; F277-F360 HydrophobicContact CE1-CE2 4.43Å; F277-F360 AromaticContact CE1-CZ 3.74Å; F277-F360 HydrophobicContact CE1-CZ 3.74Å; F277-F360 HydrophobicContact CZ-CE2 4.23Å; F277-F360 AromaticContact CZ-CZ 3.79Å; F277-F360 HydrophobicContact CZ-CZ 3.79Å; F277-I378 HydrophobicContact CE2-CD1 4.04Å; F277-I378 HydrophobicContact CE2-CG1 4.29Å; F277-I378 HydrophobicContact CZ-CG1 4.37Å; F277-P381 HydrophobicContact CB-CB 3.5Å; F277-P381 HydrophobicContact CD1-CB 4.43Å; F277-P381 HydrophobicContact CD2-CB 4.01Å; F277-P381 HydrophobicContact CG-CB 3.74Å; F277-V382 VanDerWaalsContact CA-O 3.26Å; F277-V382 WeakPolarHBondContact CA-O 3.14Å; F277-V382 WeakPolarHBondContact CB-O 3.22Å; F277-L384 WeakPolarHBondContact O-CD1 3.28Å
278R91.2Very high94.6Very high119 Ų11935.9 Ų35.945%0.44918%0.178SC..EExtended strand (participates in β ladder)trans-122.2153.6165.363.4174.7-176.6148.71.3111.1L324 V382 L384R278-L324 CarbonylContact C-O 3.58Å; R278-L324 VanDerWaalsContact CA-O 3.22Å; R278-L324 WeakPolarHBondContact CA-O 3.14Å; R278-V382 HydrophobicContact CG-CB 4.07Å; R278-V382 HydrophobicContact CG-CG1 4.16Å; R278-V382 PolarHBondContact N-O 2.71Å; R278-V382 WeakPolarHBondContact O-CB 3.32Å; R278-V382 PolarHBondContact O-N 3.34Å; R278-L384 HydrophobicContact CB-CD1 4.42Å; R278-L384 HydrophobicContact CB-CD2 3.88Å; R278-L384 HydrophobicContact CB-CG 4.17Å; R278-L384 HydrophobicContact CG-CD2 3.82Å; R278-L384 HydrophobicContact CG-CG 4.32Å
279L88.9Confident94.7Very high15 Ų1532.2 Ų32.28%0.07916%0.162CC..EExtended strand (participates in β ladder)trans-141.8117.9166.8-17863.5000108.2D27 L29 A323 L324 I378D27-L279 HydrophobicContact CB-CD1 4.26Å; L29-L279 HydrophobicContact CB-CD2 3.82Å; L29-L279 HydrophobicContact CB-CG 4.48Å; L29-L279 HydrophobicContact CD2-CD2 4.28Å; L29-L279 HydrophobicContact CD2-CG 4.37Å; L279-A323 CarbonylContact O-C 3.54Å; L279-A323 VanDerWaalsContact O-CA 3.31Å; L279-A323 WeakPolarHBondContact O-CA 3.25Å; L279-L324 PolarHBondContact N-O 3.29Å; L279-L324 PolarHBondContact O-N 3.48Å; L279-I378 HydrophobicContact CD2-CD1 3.45Å; L279-I378 VanDerWaalsContact CD2-CD1 3.45Å
280D85.6Confident94.8Very high75 Ų7532.5 Ų32.540%0.40116%0.162SC..EExtended strand (participates in β ladder)trans-102.4133.6165.252.2-78.7000108.8A323D280-A323 HydrophobicContact CB-CB 4.42Å
281F87.6Confident94.8Very high49 Ų4936.6 Ų36.622%0.21518%0.184CC..EExtended strand (participates in β ladder)trans-142.1137-174.9-150.1-108.1000110.3D27 Y28 L29 I283 S321 V322D27-F281 WeakPolarHBondContact O-CE2 3.47Å; D27-F281 WeakPolarHBondContact O-CZ 3.41Å; Y28-F281 AromaticContact CD2-CE1 3.91Å; Y28-F281 HydrophobicContact CD2-CE1 3.91Å; Y28-F281 HydrophobicContact CD2-CZ 4.4Å; Y28-F281 HydrophobicContact CG-CE1 4.42Å; L29-F281 HydrophobicContact CB-CB 3.78Å; L29-F281 HydrophobicContact CB-CD1 4.4Å; L29-F281 HydrophobicContact CB-CG 4.15Å; L29-F281 WeakPolarHBondContact O-CD1 3.36Å; F281-I283 HydrophobicContact CD1-CG2 3.84Å; F281-I283 HydrophobicContact CE1-CG2 3.36Å; F281-I283 HydrophobicContact CZ-CG2 4.33Å; F281-S321 CarbonylContact O-C 3.58Å; F281-S321 WeakPolarHBondContact O-CA 3.44Å; F281-V322 HydrophobicContact CB-CG2 4.38Å; F281-V322 PolarHBondContact N-O 3.2Å; F281-V322 PolarHBondContact O-N 3.49Å; F281-V322 VanDerWaalsContact O-O 3.1Å
282S89Confident94.7Very high44 Ų4436.1 Ų36.131%0.30818%0.179SC..EExtended strand (participates in β ladder)trans-131.2129170.6-163.60000108.8Q319 H320 S321S282-Q319 PolarHBondContact OG-OE1 3.41Å; S282-H320 WeakPolarHBondContact CA-O 3.45Å; S282-S321 PolarHBondContact OG-OG 2.8Å
283I91.1Very high94.7Very high24 Ų2445 Ų4512%0.12321%0.213CC..EExtended strand (participates in β ladder)trans-117.3133.5177.635174.3000110.3Y28 F281 L285 Q319 H320Y28-I283 HydrophobicContact CE2-CD1 4.26Å; F281-I283 HydrophobicContact CD1-CG2 3.84Å; F281-I283 HydrophobicContact CE1-CG2 3.36Å; F281-I283 HydrophobicContact CZ-CG2 4.33Å; I283-L285 HydrophobicContact CD1-CD2 3.74Å; I283-L285 HydrophobicContact CG1-CD2 4.16Å; I283-L285 PolarHBondContact O-N 2.83Å; I283-Q319 PolarHBondContact O-OE1 2.85Å; I283-H320 HydrophobicContact CG1-CB 4.06Å; I283-H320 WeakPolarHBondContact CG1-O 3.25Å; I283-H320 PolarHBondContact N-O 2.98Å; I283-H320 PolarHBondContact O-N 3.01Å
284D93.7Very high94.7Very high82 Ų8244.4 Ų44.444%0.43921%0.209SC..EExtended strand (participates in β ladder)trans-74.6117.1162.9-168.3-42.4000108.3I286D284-I286 VanDerWaalsContact OD1-CB 3.29Å; D284-I286 WeakPolarHBondContact OD1-CB 3.44Å; D284-I286 WeakPolarHBondContact OD1-CG1 3.43Å; D284-I286 PolarHBondContact OD1-N 2.83Å
285L96.4Very high94.7Very high0 Ų047 Ų470%023%0.225CC..  trans-92.9-3.1-177.4-67.2179.8000113.5L17 V35 I283 E287 T288 L289 L318 H320L17-L285 HydrophobicContact CD1-CD2 4.42Å; V35-L285 HydrophobicContact CB-CD1 4.33Å; V35-L285 HydrophobicContact CG1-CD1 3.66Å; V35-L285 HydrophobicContact CG2-CD1 3.64Å; I283-L285 HydrophobicContact CD1-CD2 3.74Å; I283-L285 HydrophobicContact CG1-CD2 4.16Å; I283-L285 PolarHBondContact O-N 2.83Å; L285-E287 PolarHBondContact O-N 2.82Å; L285-T288 HydrophobicContact CD2-CG2 4.48Å; L285-T288 PolarHBondContact O-N 2.96Å; L285-L289 HydrophobicContact CB-CD1 4.47Å; L285-L289 HydrophobicContact CB-CG 4.29Å; L285-L289 WeakPolarHBondContact O-CB 3.31Å; L285-L289 VanDerWaalsContact O-CG 3.31Å; L285-L289 WeakPolarHBondContact O-CG 3.41Å; L285-L289 PolarHBondContact O-N 2.82Å; L285-L318 HydrophobicContact CB-CD2 3.79Å; L285-L318 HydrophobicContact CB-CG 3.92Å; L285-L318 HydrophobicContact CD1-CG 4.46Å; L285-L318 PolarHBondContact N-O 3.13Å; L285-H320 HydrophobicContact CD1-CB 3.46Å; L285-H320 VanDerWaalsContact CD1-CB 3.46Å; L285-H320 HydrophobicContact CD2-CB 4.48Å; L285-H320 HydrophobicContact CG-CB 3.88Å
286I97.5Very high94.7Very high23 Ų2347.5 Ų47.512%0.11823%0.228CC..Hα-helixtrans-58.5-53.6-175-66.8-178.2000110.5D284 T288 L289 K290 F298 Q316 L318D284-I286 VanDerWaalsContact OD1-CB 3.29Å; D284-I286 WeakPolarHBondContact OD1-CB 3.44Å; D284-I286 WeakPolarHBondContact OD1-CG1 3.43Å; D284-I286 PolarHBondContact OD1-N 2.83Å; I286-T288 VanDerWaalsContact C-N 3.34Å; I286-T288 PolarHBondContact O-N 2.85Å; I286-L289 PolarHBondContact O-N 3.05Å; I286-K290 HydrophobicContact CG2-CD 4.24Å; I286-K290 WeakPolarHBondContact O-CG 3.2Å; I286-K290 PolarHBondContact O-N 3.18Å; I286-F298 HydrophobicContact CB-CD1 4.32Å; I286-F298 HydrophobicContact CB-CE1 4.35Å; I286-F298 HydrophobicContact CD1-CD1 4.19Å; I286-F298 HydrophobicContact CG1-CD1 3.83Å; I286-F298 HydrophobicContact CG1-CE1 3.77Å; I286-F298 HydrophobicContact CG1-CZ 4.4Å; I286-F298 HydrophobicContact CG2-CB 4.08Å; I286-F298 HydrophobicContact CG2-CD1 3.9Å; I286-F298 HydrophobicContact CG2-CD2 4.04Å; I286-F298 HydrophobicContact CG2-CE1 4.36Å; I286-F298 HydrophobicContact CG2-CE2 4.45Å; I286-F298 HydrophobicContact CG2-CG 3.74Å; I286-Q316 VanDerWaalsContact CD1-O 3.31Å; I286-Q316 WeakPolarHBondContact CD1-O 3.16Å; I286-L318 HydrophobicContact CG1-CB 3.91Å
287E97Very high94.9Very high109 Ų10946.9 Ų46.951%0.50923%0.225SC..Hα-helixtrans-68.8-36.6-178-166.555.6-145.300111.9L285 L289 K290 N291L285-E287 PolarHBondContact O-N 2.82Å; E287-L289 PolarHBondContact O-N 2.83Å; E287-K290 PolarHBondContact O-N 3.23Å; E287-N291 PolarHBondContact O-N 3.03Å; E287-N291 PolarHBondContact O-ND2 2.86Å; E287-N291 VanDerWaalsContact O-ND2 3.1Å
288T96.9Very high95Very high18 Ų1847.6 Ų47.611%0.1123%0.228CC..Hα-helixtrans-57.7-49.1173.3-63.40000110.7L17 I20 L285 I286 N291 M292L17-T288 HydrophobicContact CD1-CG2 3.63Å; I20-T288 HydrophobicContact CB-CG2 4.32Å; I20-T288 HydrophobicContact CG2-CG2 3.89Å; L285-T288 HydrophobicContact CD2-CG2 4.48Å; L285-T288 PolarHBondContact O-N 2.96Å; I286-T288 VanDerWaalsContact C-N 3.34Å; I286-T288 PolarHBondContact O-N 2.85Å; T288-N291 WeakPolarHBondContact O-CB 3.34Å; T288-N291 PolarHBondContact O-N 3.07Å; T288-M292 WeakPolarHBondContact O-CG 3.34Å; T288-M292 PolarHBondContact O-N 2.94Å; T288-M292 VanDerWaalsContact O-N 3.09Å
289L98.2Very high95.4Very high0 Ų044.5 Ų44.50%022%0.221CC..Hα-helixtrans-73.8-29.2-177.4-68.3-170.8000112.9L17 L39 L285 I286 E287 N291 M292 Y293 I294 F298 L318L17-L289 HydrophobicContact CD1-CD2 4.24Å; L39-L289 HydrophobicContact CD1-CD1 4.23Å; L39-L289 HydrophobicContact CD1-CD2 4.15Å; L39-L289 HydrophobicContact CD2-CD1 4.01Å; L285-L289 HydrophobicContact CB-CD1 4.47Å; L285-L289 HydrophobicContact CB-CG 4.29Å; L285-L289 WeakPolarHBondContact O-CB 3.31Å; L285-L289 VanDerWaalsContact O-CG 3.31Å; L285-L289 WeakPolarHBondContact O-CG 3.41Å; L285-L289 PolarHBondContact O-N 2.82Å; I286-L289 PolarHBondContact O-N 3.05Å; E287-L289 PolarHBondContact O-N 2.83Å; L289-N291 VanDerWaalsContact C-N 3.31Å; L289-M292 HydrophobicContact CD2-SD 3.74Å; L289-M292 CarbonylContact O-C 3.44Å; L289-M292 VanDerWaalsContact O-C 3.26Å; L289-M292 WeakPolarHBondContact O-CA 3.41Å; L289-M292 WeakPolarHBondContact O-CB 3.5Å; L289-M292 PolarHBondContact O-N 2.89Å; L289-M292 VanDerWaalsContact O-N 3.08Å; L289-Y293 PolarHBondContact O-N 3.19Å; L289-I294 HydrophobicContact CB-CB 4.26Å; L289-I294 HydrophobicContact CB-CD1 4.37Å; L289-I294 HydrophobicContact CD1-CD1 4.4Å; L289-I294 HydrophobicContact CD2-CD1 4.3Å; L289-I294 WeakPolarHBondContact O-CA 3.41Å; L289-I294 WeakPolarHBondContact O-CB 3.45Å; L289-I294 PolarHBondContact O-N 2.97Å; L289-F298 HydrophobicContact CB-CE2 3.86Å; L289-F298 HydrophobicContact CB-CZ 4.01Å; L289-F298 HydrophobicContact CD1-CZ 4.1Å; L289-L318 HydrophobicContact CD1-CD2 3.37Å; L289-L318 HydrophobicContact CG-CD2 4.41Å
290K98.5Very high95.7Very high74 Ų7447.1 Ų47.132%0.32224%0.24SC..Hα-helixtrans-60.8-41.4168.1-76.7177.5176.9177.70111.8I286 E287 M292 Y293 I294 T295 F298I286-K290 HydrophobicContact CG2-CD 4.24Å; I286-K290 WeakPolarHBondContact O-CG 3.2Å; I286-K290 PolarHBondContact O-N 3.18Å; E287-K290 PolarHBondContact O-N 3.23Å; K290-M292 PolarHBondContact O-N 3.45Å; K290-Y293 WeakPolarHBondContact O-CA 3.5Å; K290-Y293 PolarHBondContact O-N 2.85Å; K290-I294 WeakPolarHBondContact CA-O 3.4Å; K290-I294 PolarHBondContact N-O 2.66Å; K290-T295 HydrophobicContact CB-CG2 4.27Å; K290-T295 HydrophobicContact CG-CG2 4.27Å; K290-F298 HydrophobicContact CG-CD2 3.83Å; K290-F298 HydrophobicContact CG-CE2 4.34Å
291N97.6Very high96.2Very high87 Ų8747.1 Ų47.147%0.46525%0.251SS..Hα-helixtrans-69.7-18.4173.8-71.1-39.5000112.9I20 E287 T288 L289I20-N291 HydrophobicContact CD1-CB 4.23Å; I20-N291 HydrophobicContact CG2-CB 3.84Å; E287-N291 PolarHBondContact O-N 3.03Å; E287-N291 PolarHBondContact O-ND2 2.86Å; E287-N291 VanDerWaalsContact O-ND2 3.1Å; T288-N291 WeakPolarHBondContact O-CB 3.34Å; T288-N291 PolarHBondContact O-N 3.07Å; L289-N291 VanDerWaalsContact C-N 3.31Å
292M97.1Very high96.8Very high13 Ų1350.8 Ų50.86%0.06427%0.266CS..THydrogen-bonded Turntrans-89.120.4164.8-59.9-179.87400112.9F13 D16 L17 I20 T288 L289 K290 I294F13-M292 HydrophobicContact CD2-CE 3.64Å; F13-M292 HydrophobicContact CE2-CE 3.5Å; F13-M292 HydrophobicContact CE2-SD 4.27Å; F13-M292 HydrophobicContact CZ-CE 4.3Å; D16-M292 HydrophobicContact CB-CE 3.96Å; L17-M292 HydrophobicContact CB-CE 4.49Å; L17-M292 HydrophobicContact CB-SD 4.23Å; L17-M292 HydrophobicContact CD1-SD 3.85Å; I20-M292 HydrophobicContact CD1-CG 3.41Å; I20-M292 VanDerWaalsContact CD1-CG 3.41Å; T288-M292 WeakPolarHBondContact O-CG 3.34Å; T288-M292 PolarHBondContact O-N 2.94Å; T288-M292 VanDerWaalsContact O-N 3.09Å; L289-M292 HydrophobicContact CD2-SD 3.74Å; L289-M292 CarbonylContact O-C 3.44Å; L289-M292 VanDerWaalsContact O-C 3.26Å; L289-M292 WeakPolarHBondContact O-CA 3.41Å; L289-M292 WeakPolarHBondContact O-CB 3.5Å; L289-M292 PolarHBondContact O-N 2.89Å; L289-M292 VanDerWaalsContact O-N 3.08Å; K290-M292 PolarHBondContact O-N 3.45Å; M292-I294 PolarHBondContact O-N 3.08Å
293Y97.5Very high97.2Very high187 Ų18749.5 Ų49.573%0.73326%0.259SS*.THydrogen-bonded Turntrans66.69.2177.5-50.3-75.4000116.3Q55 L289 K290 T295Q55-Y293 VanDerWaalsContact CD-O 3.31Å; Q55-Y293 WeakPolarHBondContact CG-O 3.41Å; L289-Y293 PolarHBondContact O-N 3.19Å; K290-Y293 WeakPolarHBondContact O-CA 3.5Å; K290-Y293 PolarHBondContact O-N 2.85Å; Y293-T295 PolarHBondContact O-N 3.13Å
294I98.3Very high97.5Very high0 Ų049.5 Ų49.50%026%0.259CS..  trans-84.988.7168.7-49.5178.1000108.4L39 I56 A59 L289 K290 M292 L297 F298L39-I294 HydrophobicContact CD1-CD1 3.83Å; L39-I294 HydrophobicContact CD2-CD1 4.36Å; I56-I294 HydrophobicContact CG1-CD1 4.34Å; I56-I294 HydrophobicContact CG1-CG2 3.92Å; A59-I294 HydrophobicContact CB-CD1 3.68Å; A59-I294 HydrophobicContact CB-CG1 3.75Å; L289-I294 HydrophobicContact CB-CB 4.26Å; L289-I294 HydrophobicContact CB-CD1 4.37Å; L289-I294 HydrophobicContact CD1-CD1 4.4Å; L289-I294 HydrophobicContact CD2-CD1 4.3Å; L289-I294 WeakPolarHBondContact O-CA 3.41Å; L289-I294 WeakPolarHBondContact O-CB 3.45Å; L289-I294 PolarHBondContact O-N 2.97Å; K290-I294 WeakPolarHBondContact CA-O 3.4Å; K290-I294 PolarHBondContact N-O 2.66Å; M292-I294 PolarHBondContact O-N 3.08Å; I294-L297 HydrophobicContact CG2-CB 3.83Å; I294-L297 HydrophobicContact CG2-CD2 4.07Å; I294-F298 HydrophobicContact CB-CE2 4.48Å; I294-F298 HydrophobicContact CG2-CE2 4.17Å; I294-F298 VanDerWaalsContact O-CD2 3.25Å; I294-F298 WeakPolarHBondContact O-CD2 3.46Å; I294-F298 WeakPolarHBondContact O-CE2 3.49Å
295T98.6Very high97.7Very high53 Ų5345.9 Ų45.933%0.32524%0.239SC..  trans-108.3-42.2-174.152.30000112.7Q55 K290 Y293 L297 F298 D299Q55-T295 PolarHBondContact NE2-OG1 3.22Å; K290-T295 HydrophobicContact CB-CG2 4.27Å; K290-T295 HydrophobicContact CG-CG2 4.27Å; Y293-T295 PolarHBondContact O-N 3.13Å; T295-L297 PolarHBondContact O-N 3.05Å; T295-F298 PolarHBondContact O-N 3.38Å; T295-D299 PolarHBondContact O-N 3.02Å
296D98.7Very high97.7Very high12 Ų1253 Ų536%0.06427%0.266CS..G310 helixtrans-64.9-31.4-173.6-68.70.5000111.6N51 T52 Q55 F298 D299 K302 A303N51-D296 WeakPolarHBondContact CB-OD2 3.5Å; N51-D296 PolarHBondContact ND2-OD2 3.13Å; T52-D296 HydrophobicContact CG2-CB 4.47Å; T52-D296 WeakPolarHBondContact OG1-CB 3.35Å; Q55-D296 PolarHBondContact NE2-OD1 3.5Å; D296-F298 PolarHBondContact O-N 3.1Å; D296-F298 VanDerWaalsContact O-N 3.1Å; D296-D299 PolarHBondContact O-N 3.08Å; D296-D299 VanDerWaalsContact O-N 3.13Å; D296-K302 HydrophobicContact CB-CB 4Å; D296-K302 WeakPolarHBondContact OD1-CD 3.43Å; D296-A303 WeakPolarHBondContact O-CA 3.07Å; D296-A303 WeakPolarHBondContact O-CB 3.37Å; D296-A303 PolarHBondContact O-N 3Å
297L98.3Very high97.6Very high0 Ų052.6 Ų52.60%027%0.268CS..G310 helixtrans-56.2-29.4179.8-17761.3000112.9L42 T52 I56 I294 T295 L305 V315L42-L297 HydrophobicContact CD1-CD2 4.26Å; T52-L297 HydrophobicContact CG2-CB 3.93Å; T52-L297 HydrophobicContact CG2-CD1 3.99Å; I56-L297 HydrophobicContact CD1-CD1 4.49Å; I56-L297 HydrophobicContact CD1-CD2 4.25Å; I294-L297 HydrophobicContact CG2-CB 3.83Å; I294-L297 HydrophobicContact CG2-CD2 4.07Å; T295-L297 PolarHBondContact O-N 3.05Å; L297-L305 HydrophobicContact CD1-CD1 4.32Å; L297-L305 HydrophobicContact CD1-CD2 3.82Å; L297-V315 HydrophobicContact CD1-CB 4.48Å; L297-V315 HydrophobicContact CD1-CG2 3.64Å; L297-V315 HydrophobicContact CD2-CG2 4.3Å; L297-V315 HydrophobicContact CG-CB 4.16Å; L297-V315 HydrophobicContact CG-CG2 3.78Å; L297-V315 PolarHBondContact O-N 3Å
298F98.2Very high97.5Very high16 Ų1647.4 Ų47.47%0.0724%0.244CC..G310 helixtrans-107.20.6-174.7-48.4-66000113I286 L289 K290 I294 T295 D296 H314 V315 L318I286-F298 HydrophobicContact CB-CD1 4.32Å; I286-F298 HydrophobicContact CB-CE1 4.35Å; I286-F298 HydrophobicContact CD1-CD1 4.19Å; I286-F298 HydrophobicContact CG1-CD1 3.83Å; I286-F298 HydrophobicContact CG1-CE1 3.77Å; I286-F298 HydrophobicContact CG1-CZ 4.4Å; I286-F298 HydrophobicContact CG2-CB 4.08Å; I286-F298 HydrophobicContact CG2-CD1 3.9Å; I286-F298 HydrophobicContact CG2-CD2 4.04Å; I286-F298 HydrophobicContact CG2-CE1 4.36Å; I286-F298 HydrophobicContact CG2-CE2 4.45Å; I286-F298 HydrophobicContact CG2-CG 3.74Å; L289-F298 HydrophobicContact CB-CE2 3.86Å; L289-F298 HydrophobicContact CB-CZ 4.01Å; L289-F298 HydrophobicContact CD1-CZ 4.1Å; K290-F298 HydrophobicContact CG-CD2 3.83Å; K290-F298 HydrophobicContact CG-CE2 4.34Å; I294-F298 HydrophobicContact CB-CE2 4.48Å; I294-F298 HydrophobicContact CG2-CE2 4.17Å; I294-F298 VanDerWaalsContact O-CD2 3.25Å; I294-F298 WeakPolarHBondContact O-CD2 3.46Å; I294-F298 WeakPolarHBondContact O-CE2 3.49Å; T295-F298 PolarHBondContact O-N 3.38Å; D296-F298 PolarHBondContact O-N 3.1Å; D296-F298 VanDerWaalsContact O-N 3.1Å; F298-H314 PolarHBondContact O-CD2 2.79Å; F298-V315 HydrophobicContact CD1-CB 3.88Å; F298-V315 HydrophobicContact CD1-CG1 4.02Å; F298-V315 HydrophobicContact CE1-CB 4.05Å; F298-V315 HydrophobicContact CE1-CG1 3.87Å; F298-L318 HydrophobicContact CE1-CB 4.38Å; F298-L318 HydrophobicContact CE1-CD2 4.16Å; F298-L318 HydrophobicContact CZ-CD2 4.05Å
299D98Very high97.4Very high54 Ų5446.6 Ų46.629%0.28924%0.238SC..  trans-102.8122.9-176.7-176.9-63.9000110T295 D296 A301 K302 A303T295-D299 PolarHBondContact O-N 3.02Å; D296-D299 PolarHBondContact O-N 3.08Å; D296-D299 VanDerWaalsContact O-N 3.13Å; D299-A301 PolarHBondContact O-N 3.24Å; D299-A301 WeakPolarHBondContact OD1-CA 3.2Å; D299-A301 WeakPolarHBondContact OD1-CB 3.21Å; D299-A301 PolarHBondContact OD1-N 3.41Å; D299-K302 HydrophobicContact CB-CB 4.11Å; D299-K302 HydrophobicContact CB-CG 4.45Å; D299-K302 PolarHBondContact O-N 2.83Å; D299-K302 PolarHBondContact OD1-N 2.74Å; D299-A303 WeakPolarHBondContact O-CB 3.47Å; D299-A303 PolarHBondContact O-N 3.26Å
300S96Very high97.2Very high69 Ų6952.7 Ų52.748%0.48327%0.271SS..THydrogen-bonded Turntrans-65.3-22.8-175.867.90000113.8K312S300-K312 WeakPolarHBondContact O-CE 3.13Å; S300-K312 PolarHBondContact O-NZ 2.82Å
301A97.1Very high96.9Very high76 Ų7652 Ų5263%0.62828%0.275SS*.THydrogen-bonded Turntrans-90.5-31.3178.100000112.6D299D299-A301 PolarHBondContact O-N 3.24Å; D299-A301 WeakPolarHBondContact OD1-CA 3.2Å; D299-A301 WeakPolarHBondContact OD1-CB 3.21Å; D299-A301 PolarHBondContact OD1-N 3.41Å
302K98.3Very high96.7Very high125 Ų12555.1 Ų55.154%0.54329%0.285SS..THydrogen-bonded Turntrans-103.3-22.7-171.8-58.4178.1-175.51740115D296 D299 D304D296-K302 HydrophobicContact CB-CB 4Å; D296-K302 WeakPolarHBondContact OD1-CD 3.43Å; D299-K302 HydrophobicContact CB-CB 4.11Å; D299-K302 HydrophobicContact CB-CG 4.45Å; D299-K302 PolarHBondContact O-N 2.83Å; D299-K302 PolarHBondContact OD1-N 2.74Å; K302-D304 PolarHBondContact O-N 2.84Å; K302-D304 VanDerWaalsContact O-N 3.13Å
303A98.1Very high96.6Very high18 Ų1854.8 Ų54.815%0.14928%0.284CS..  trans-57118.4-178.400000111.5D296 D299 H314D296-A303 WeakPolarHBondContact O-CA 3.07Å; D296-A303 WeakPolarHBondContact O-CB 3.37Å; D296-A303 PolarHBondContact O-N 3Å; D299-A303 WeakPolarHBondContact O-CB 3.47Å; D299-A303 PolarHBondContact O-N 3.26Å; A303-H314 HydrophobicContact CB-CB 3.51Å
304D98.1Very high96.6Very high23 Ų2347.4 Ų47.412%0.12326%0.256CS..  trans-107.388173.1-170.2-2.9000109.9P48 K49 G50 T52 K302 R306P48-D304 CarbonylContact C-O 3.41Å; P48-D304 WeakPolarHBondContact CA-O 3.47Å; K49-D304 HydrophobicContact CB-CB 4.3Å; K49-D304 VanDerWaalsContact CB-CG 3.46Å; K49-D304 VanDerWaalsContact CB-OD2 3.29Å; K49-D304 WeakPolarHBondContact CB-OD2 3.21Å; K49-D304 PolarHBondContact N-O 2.87Å; G50-D304 PolarHBondContact N-OD2 3.18Å; T52-D304 PolarHBondContact OG1-N 2.76Å; K302-D304 PolarHBondContact O-N 2.84Å; K302-D304 VanDerWaalsContact O-N 3.13Å; D304-R306 WeakPolarHBondContact OD1-CB 3.25Å; D304-R306 WeakPolarHBondContact OD1-CG 3.38Å; D304-R306 IonicContact OD1-CZ 3.54Å; D304-R306 PolarHBondContact OD1-N 2.83Å; D304-R306 IonicContact OD1-NE 3.49Å; D304-R306 PolarHBondContact OD1-NE 2.9Å; D304-R306 IonicContact OD1-NH2 2.73Å; D304-R306 IonicContact OD2-CZ 2.7Å; D304-R306 IonicContact OD2-NE 3.57Å; D304-R306 PolarHBondContact OD2-NE 3.42Å; D304-R306 IonicContact OD2-NH2 3.61Å; D304-R306 PolarHBondContact OD2-NH2 2.98Å
305L97.2Very high96.5Very high6 Ų647.4 Ų47.43%0.03126%0.256CS..  trans-105.926.3178.8-64.1-178.7000112.6G47 P48 L165 L297 G307 I308 T309 V313 V315G47-L305 CarbonylContact O-C 3.53Å; P48-L305 HydrophobicContact CB-CD2 4.26Å; P48-L305 HydrophobicContact CG-CD2 4.04Å; L165-L305 HydrophobicContact CD2-CD1 3.64Å; L297-L305 HydrophobicContact CD1-CD1 4.32Å; L297-L305 HydrophobicContact CD1-CD2 3.82Å; L305-G307 PolarHBondContact O-N 2.81Å; L305-I308 HydrophobicContact CB-CD1 4.24Å; L305-I308 HydrophobicContact CB-CG1 4.42Å; L305-I308 HydrophobicContact CD1-CD1 4.44Å; L305-I308 HydrophobicContact CD2-CD1 4.16Å; L305-I308 WeakPolarHBondContact O-CB 3.47Å; L305-I308 PolarHBondContact O-N 3.27Å; L305-T309 PolarHBondContact O-N 3.33Å; L305-V313 HydrophobicContact CB-CG2 3.95Å; L305-V313 HydrophobicContact CD1-CG2 4.05Å; L305-V315 HydrophobicContact CD1-CG2 4.49Å
306R96.9Very high96.4Very high150 Ų15047.3 Ų47.357%0.56625%0.252SS*.THydrogen-bonded Turntrans-62.4-13.7-177.6-71179.3-64.4166.2-1.5114.6K109 D304 I308 T309K109-R306 WeakPolarHBondContact CE-O 3.31Å; K109-R306 PolarHBondContact NZ-O 2.89Å; D304-R306 WeakPolarHBondContact OD1-CB 3.25Å; D304-R306 WeakPolarHBondContact OD1-CG 3.38Å; D304-R306 IonicContact OD1-CZ 3.54Å; D304-R306 PolarHBondContact OD1-N 2.83Å; D304-R306 IonicContact OD1-NE 3.49Å; D304-R306 PolarHBondContact OD1-NE 2.9Å; D304-R306 IonicContact OD1-NH2 2.73Å; D304-R306 IonicContact OD2-CZ 2.7Å; D304-R306 IonicContact OD2-NE 3.57Å; D304-R306 PolarHBondContact OD2-NE 3.42Å; D304-R306 IonicContact OD2-NH2 3.61Å; D304-R306 PolarHBondContact OD2-NH2 2.98Å; R306-I308 VanDerWaalsContact C-N 3.26Å; R306-T309 VanDerWaalsContact CA-O 3.3Å; R306-T309 WeakPolarHBondContact CA-O 3.2Å
307G95.6Very high96.2Very high14 Ų1447.3 Ų47.314%0.14425%0.252CS..THydrogen-bonded Turntrans-71.9-21.4169.900000113.6G46 G47 L305G46-G307 WeakPolarHBondContact O-CA 3.17Å; G47-G307 VanDerWaalsContact O-CA 3.23Å; G47-G307 WeakPolarHBondContact O-CA 3.16Å; G47-G307 PolarHBondContact O-N 2.69Å; L305-G307 PolarHBondContact O-N 2.81Å
308I95.3Very high96.1Very high1 Ų147.3 Ų47.31%0.00525%0.252CS..THydrogen-bonded Turntrans-90.2-52.3179.9-51.4-172.6000110.3M100 L102 I108 K109 F112 L305 R306M100-I308 HydrophobicContact CE-CD1 4.47Å; L102-I308 HydrophobicContact CD2-CG2 4.14Å; I108-I308 WeakPolarHBondContact CA-O 3.49Å; I108-I308 HydrophobicContact CG2-CG2 4.24Å; K109-I308 PolarHBondContact N-O 2.86Å; F112-I308 HydrophobicContact CD1-CG2 4.07Å; F112-I308 HydrophobicContact CD2-CG1 4.14Å; F112-I308 HydrophobicContact CE1-CB 4.46Å; F112-I308 HydrophobicContact CE1-CG1 4.31Å; F112-I308 HydrophobicContact CE1-CG2 3.81Å; F112-I308 HydrophobicContact CE2-CB 4.46Å; F112-I308 HydrophobicContact CE2-CD1 4.22Å; F112-I308 HydrophobicContact CE2-CG1 3.67Å; F112-I308 HydrophobicContact CZ-CB 4.4Å; F112-I308 HydrophobicContact CZ-CD1 3.98Å; F112-I308 HydrophobicContact CZ-CG1 3.77Å; F112-I308 HydrophobicContact CZ-CG2 4.12Å; L305-I308 HydrophobicContact CB-CD1 4.24Å; L305-I308 HydrophobicContact CB-CG1 4.42Å; L305-I308 HydrophobicContact CD1-CD1 4.44Å; L305-I308 HydrophobicContact CD2-CD1 4.16Å; L305-I308 WeakPolarHBondContact O-CB 3.47Å; L305-I308 PolarHBondContact O-N 3.27Å; R306-I308 VanDerWaalsContact C-N 3.26Å
309T94.7Very high95.9Very high0 Ų047.7 Ų47.70%025%0.254CS..BIsolated β-bridgetrans-152.1156.3-173.8174.90000110T106 K107 L305 R306 S311 V313T106-T309 HydrophobicContact CG2-CG2 3.86Å; K107-T309 WeakPolarHBondContact O-CB 3.26Å; K107-T309 PolarHBondContact O-OG1 2.92Å; L305-T309 PolarHBondContact O-N 3.33Å; R306-T309 VanDerWaalsContact CA-O 3.3Å; R306-T309 WeakPolarHBondContact CA-O 3.2Å; T309-S311 VanDerWaalsContact C-N 3.28Å; T309-S311 WeakPolarHBondContact CG2-O 3.41Å; T309-S311 WeakPolarHBondContact OG1-CB 3.39Å; T309-S311 PolarHBondContact OG1-N 2.83Å; T309-S311 PolarHBondContact OG1-OG 2.91Å; T309-V313 HydrophobicContact CG2-CB 4.47Å; T309-V313 HydrophobicContact CG2-CG1 4.03Å; T309-V313 HydrophobicContact CG2-CG2 3.53Å
310D93.9Very high95.8Very high129 Ų12945.1 Ų45.169%0.6924%0.24SC*.SBendtrans-81.2-12170.3-62.4-48.3000112.3K109K109-D310 WeakPolarHBondContact CE-OD1 3.22Å; K109-D310 WeakPolarHBondContact CE-OD2 3.4Å; K109-D310 IonicContact NZ-OD1 2.77Å; K109-D310 PolarHBondContact NZ-OD1 2.83Å; K109-D310 IonicContact NZ-OD2 3.46Å
311S92.3Very high95.6Very high58 Ų5841.9 Ų41.941%0.40622%0.217SC..SBendtrans-68144.3170.8-57.40000111.1T309 V313T309-S311 VanDerWaalsContact C-N 3.28Å; T309-S311 WeakPolarHBondContact CG2-O 3.41Å; T309-S311 WeakPolarHBondContact OG1-CB 3.39Å; T309-S311 PolarHBondContact OG1-N 2.83Å; T309-S311 PolarHBondContact OG1-OG 2.91Å; S311-V313 PolarHBondContact O-N 3.38Å; S311-V313 VanDerWaalsContact O-N 3.16Å
312K92.5Very high95.3Very high154 Ų15438.2 Ų38.267%0.6719%0.187SC*.  trans-72.9107.1173.6-173171.3176.7-179.80109.9S300S300-K312 WeakPolarHBondContact O-CE 3.13Å; S300-K312 PolarHBondContact O-NZ 2.82Å
313V95.5Very high94.8Very high6 Ų632.9 Ų32.94%0.03617%0.167CC..  trans-132.2152.8-179.5-60.20000110.9T106 L164 L305 T309 S311T106-V313 HydrophobicContact CG2-CG1 4.47Å; L164-V313 HydrophobicContact CB-CB 4.35Å; L164-V313 HydrophobicContact CB-CG1 4.18Å; L164-V313 HydrophobicContact CD1-CG1 4.45Å; L305-V313 HydrophobicContact CB-CG2 3.95Å; L305-V313 HydrophobicContact CD1-CG2 4.05Å; T309-V313 HydrophobicContact CG2-CB 4.47Å; T309-V313 HydrophobicContact CG2-CG1 4.03Å; T309-V313 HydrophobicContact CG2-CG2 3.53Å; S311-V313 PolarHBondContact O-N 3.38Å; S311-V313 VanDerWaalsContact O-N 3.16Å
314H96.3Very high94.3Very high31 Ų3132.2 Ų32.214%0.14416%0.16CC..  trans-141.9157.617364.4-67.2000108.5F298 A303 Q316F298-H314 PolarHBondContact O-CD2 2.79Å; A303-H314 HydrophobicContact CB-CB 3.51Å; H314-Q316 WeakPolarHBondContact NE2-CG 3.49Å; H314-Q316 PolarHBondContact O-N 2.98Å
315V97Very high94Very high1 Ų132.2 Ų32.21%0.00616%0.159CC..  trans-75.5119.6177.9178.10000108.5L165 L167 L297 F298 L305 V317 L318L165-V315 HydrophobicContact CD2-CG2 3.61Å; L165-V315 HydrophobicContact CG-CG2 4.06Å; L167-V315 HydrophobicContact CD1-CG1 4.1Å; L167-V315 HydrophobicContact CD1-CG2 3.79Å; L167-V315 HydrophobicContact CG-CG1 4.25Å; L167-V315 HydrophobicContact CG-CG2 4.31Å; L297-V315 HydrophobicContact CD1-CB 4.48Å; L297-V315 HydrophobicContact CD1-CG2 3.64Å; L297-V315 HydrophobicContact CD2-CG2 4.3Å; L297-V315 HydrophobicContact CG-CB 4.16Å; L297-V315 HydrophobicContact CG-CG2 3.78Å; L297-V315 PolarHBondContact O-N 3Å; F298-V315 HydrophobicContact CD1-CB 3.88Å; F298-V315 HydrophobicContact CD1-CG1 4.02Å; F298-V315 HydrophobicContact CE1-CB 4.05Å; F298-V315 HydrophobicContact CE1-CG1 3.87Å; L305-V315 HydrophobicContact CD1-CG2 4.49Å; V315-V317 VanDerWaalsContact CG1-O 3.28Å; V315-V317 WeakPolarHBondContact CG1-O 3.33Å; V315-L318 HydrophobicContact CG1-CB 4.21Å
316Q96.2Very high93.9Very high51 Ų5131.9 Ų31.924%0.23816%0.158CC..  trans-104.2-17.4177.5-73.5166.4-94.500112.6T162 T163 L165 I286 H314T162-Q316 PolarHBondContact O-NE2 2.91Å; T162-Q316 VanDerWaalsContact O-NE2 3.16Å; T162-Q316 PolarHBondContact O-OE1 3.02Å; T163-Q316 HydrophobicContact CG2-CB 4.37Å; L165-Q316 PolarHBondContact O-N 3.48Å; I286-Q316 VanDerWaalsContact CD1-O 3.31Å; I286-Q316 WeakPolarHBondContact CD1-O 3.16Å; H314-Q316 WeakPolarHBondContact NE2-CG 3.49Å; H314-Q316 PolarHBondContact O-N 2.98Å
317V94.9Very high93.7Very high11 Ų1125.1 Ų25.17%0.06713%0.133CC..EExtended strand (participates in β ladder)trans-136.9127.5179.2-178.90000108.4L159 T163 G166 L167 V315 Q319L159-V317 HydrophobicContact CD1-CG2 3.76Å; L159-V317 HydrophobicContact CD2-CG1 4.45Å; L159-V317 HydrophobicContact CD2-CG2 3.49Å; L159-V317 VanDerWaalsContact CD2-CG2 3.49Å; L159-V317 HydrophobicContact CG-CG2 4.21Å; T163-V317 HydrophobicContact CG2-CG2 4.4Å; G166-V317 CarbonylContact C-O 3.57Å; G166-V317 WeakPolarHBondContact CA-O 3.33Å; L167-V317 PolarHBondContact N-O 2.86Å; V315-V317 VanDerWaalsContact CG1-O 3.28Å; V315-V317 WeakPolarHBondContact CG1-O 3.33Å; V317-Q319 HydrophobicContact CG1-CG 3.89Å
318L96.2Very high93.6Very high1 Ų124.8 Ų24.81%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-137.398.1169.8177.860.7000109.8L38 L167 L285 I286 L289 F298 V315L38-L318 HydrophobicContact CD2-CD1 3.35Å; L167-L318 HydrophobicContact CB-CD1 3.5Å; L167-L318 HydrophobicContact CD1-CD1 4.2Å; L167-L318 VanDerWaalsContact O-CA 3.31Å; L167-L318 WeakPolarHBondContact O-CA 3.39Å; L285-L318 HydrophobicContact CB-CD2 3.79Å; L285-L318 HydrophobicContact CB-CG 3.92Å; L285-L318 HydrophobicContact CD1-CG 4.46Å; L285-L318 PolarHBondContact N-O 3.13Å; I286-L318 HydrophobicContact CG1-CB 3.91Å; L289-L318 HydrophobicContact CD1-CD2 3.37Å; L289-L318 HydrophobicContact CG-CD2 4.41Å; F298-L318 HydrophobicContact CE1-CB 4.38Å; F298-L318 HydrophobicContact CE1-CD2 4.16Å; F298-L318 HydrophobicContact CZ-CD2 4.05Å; V315-L318 HydrophobicContact CG1-CB 4.21Å
319Q95.1Very high93.5Very high24 Ų2425.7 Ų25.711%0.11213%0.132CC..EExtended strand (participates in β ladder)trans-103.1133.4-179.5-67.5-66.7-35.100110.6V154 L167 I168 N169 S282 I283 V317V154-Q319 HydrophobicContact CG2-CB 3.9Å; V154-Q319 HydrophobicContact CG2-CG 4.09Å; L167-Q319 PolarHBondContact O-N 2.99Å; I168-Q319 CarbonylContact C-O 3.49Å; I168-Q319 WeakPolarHBondContact CA-O 3.44Å; I168-Q319 HydrophobicContact CG1-CB 4.3Å; I168-Q319 HydrophobicContact CG2-CB 4.32Å; N169-Q319 PolarHBondContact N-O 2.9Å; S282-Q319 PolarHBondContact OG-OE1 3.41Å; I283-Q319 PolarHBondContact O-OE1 2.85Å; V317-Q319 HydrophobicContact CG1-CG 3.89Å
320H95Very high93.3Very high0 Ų025.7 Ų25.70%013%0.132CC..EExtended strand (participates in β ladder)trans-115.8114168.1172.672.5000109.5S31 V35 N169 S282 I283 L285 V322S31-H320 PolarHBondContact N-NE2 3Å; V35-H320 HydrophobicContact CG2-CB 4.25Å; N169-H320 WeakPolarHBondContact O-CA 3.44Å; N169-H320 PolarHBondContact OD1-CE1 2.87Å; N169-H320 PolarHBondContact OD1-ND1 2.93Å; S282-H320 WeakPolarHBondContact CA-O 3.45Å; I283-H320 HydrophobicContact CG1-CB 4.06Å; I283-H320 WeakPolarHBondContact CG1-O 3.25Å; I283-H320 PolarHBondContact N-O 2.98Å; I283-H320 PolarHBondContact O-N 3.01Å; L285-H320 HydrophobicContact CD1-CB 3.46Å; L285-H320 VanDerWaalsContact CD1-CB 3.46Å; L285-H320 HydrophobicContact CD2-CB 4.48Å; L285-H320 HydrophobicContact CG-CB 3.88Å; H320-V322 VanDerWaalsContact NE2-CG1 3.31Å; H320-V322 WeakPolarHBondContact NE2-CG1 3.47Å
321S91.4Very high93Very high0 Ų019.7 Ų19.70%010%0.1CC..EExtended strand (participates in β ladder)trans-119.1126.7-172.9-44.40000110.8I151 V154 N169 T170 F281 S282I151-S321 VanDerWaalsContact CD1-C 3.48Å; V154-S321 VanDerWaalsContact CG2-OG 3.31Å; V154-S321 WeakPolarHBondContact CG2-OG 3.38Å; N169-S321 PolarHBondContact O-N 2.85Å; T170-S321 WeakPolarHBondContact CA-O 3.32Å; F281-S321 CarbonylContact O-C 3.58Å; F281-S321 WeakPolarHBondContact O-CA 3.44Å; S282-S321 PolarHBondContact OG-OG 2.8Å
322V91.5Very high92.1Very high0 Ų018 Ų180%09%0.086CC..EExtended strand (participates in β ladder)trans-137.3147.5-177.4-76.90000110L29 I151 L171 F281 H320 F374L29-V322 HydrophobicContact CB-CG2 4.13Å; L29-V322 HydrophobicContact CD2-CB 4.31Å; L29-V322 HydrophobicContact CD2-CG2 3.88Å; L29-V322 HydrophobicContact CG-CB 4.48Å; L29-V322 HydrophobicContact CG-CG2 3.7Å; L29-V322 VanDerWaalsContact O-CG2 3.28Å; L29-V322 WeakPolarHBondContact O-CG2 3.46Å; I151-V322 VanDerWaalsContact CD1-C 3.46Å; L171-V322 HydrophobicContact CB-CG1 4.28Å; F281-V322 HydrophobicContact CB-CG2 4.38Å; F281-V322 PolarHBondContact N-O 3.2Å; F281-V322 PolarHBondContact O-N 3.49Å; F281-V322 VanDerWaalsContact O-O 3.1Å; H320-V322 VanDerWaalsContact NE2-CG1 3.31Å; H320-V322 WeakPolarHBondContact NE2-CG1 3.47Å; V322-F374 HydrophobicContact CB-CD1 4.19Å; V322-F374 HydrophobicContact CB-CE1 3.78Å; V322-F374 HydrophobicContact CG1-CD1 4.4Å; V322-F374 HydrophobicContact CG1-CE1 3.98Å
323A87.4Confident90Very high13 Ų1310.9 Ų10.911%0.1076%0.056CC..EExtended strand (participates in β ladder)trans-132.9144.217400000110.5L150 I151 L279 D280 F374L150-A323 HydrophobicContact CB-CB 3.67Å; L150-A323 HydrophobicContact CD1-CB 4Å; I151-A323 HydrophobicContact CD1-CB 4.07Å; I151-A323 HydrophobicContact CG1-CB 3.74Å; L279-A323 CarbonylContact O-C 3.54Å; L279-A323 VanDerWaalsContact O-CA 3.31Å; L279-A323 WeakPolarHBondContact O-CA 3.25Å; D280-A323 HydrophobicContact CB-CB 4.42Å; A323-F374 WeakPolarHBondContact O-CE1 3.42Å
324L88Confident87Confident3 Ų314.1 Ų14.12%0.0168%0.083CC..EExtended strand (participates in β ladder)trans-129.3120177.5-173.374.7000108.4L29 F234 F277 R278 L279 V326 V331 V364L29-L324 HydrophobicContact CD2-CB 3.79Å; F234-L324 HydrophobicContact CE2-CD1 4.49Å; F234-L324 HydrophobicContact CE2-CD2 4.03Å; F234-L324 HydrophobicContact CZ-CD2 4.43Å; F277-L324 HydrophobicContact CE2-CD2 4.18Å; F277-L324 HydrophobicContact CZ-CD2 4.15Å; R278-L324 CarbonylContact C-O 3.58Å; R278-L324 VanDerWaalsContact CA-O 3.22Å; R278-L324 WeakPolarHBondContact CA-O 3.14Å; L279-L324 PolarHBondContact N-O 3.29Å; L279-L324 PolarHBondContact O-N 3.48Å; L324-V326 HydrophobicContact CD2-CG2 4.13Å; L324-V326 HydrophobicContact CG-CG2 4.04Å; L324-V331 HydrophobicContact CD1-CG1 3.52Å; L324-V331 HydrophobicContact CD1-CG2 4.34Å; L324-V364 HydrophobicContact CD1-CG2 3.9Å
325K91.6Very high83.8Confident23 Ų2317.6 Ų17.610%0.112%0.117CC..EExtended strand (participates in β ladder)trans-120.1107.9176.1-172.7180178.9170.60108.9L150 V331 E332 L384 K388L150-K325 HydrophobicContact CD2-CD 4.26Å; K325-V331 CarbonylContact O-C 3.56Å; K325-V331 VanDerWaalsContact O-CA 3.26Å; K325-V331 WeakPolarHBondContact O-CA 3.46Å; K325-E332 PolarHBondContact O-N 3.23Å; K325-L384 HydrophobicContact CD-CD1 4.47Å; K325-L384 HydrophobicContact CG-CD1 3.61Å; K325-L384 HydrophobicContact CG-CD2 4.39Å; K325-K388 VanDerWaalsContact NZ-C 3.29Å; K325-K388 PolarHBondContact NZ-O 3.32Å; K325-K388 PolarHBondContact NZ-OXT 2.94Å
326V94.1Very high80.5Confident0 Ų020 Ų200%014%0.137CC..EExtended strand (participates in β ladder)trans-103.6120.3-176.7178.70000109.7W177 M204 F234 L274 F277 L324 V331 L384W177-V326 HydrophobicContact CZ2-CG1 4.15Å; M204-V326 HydrophobicContact CE-CG1 3.94Å; F234-V326 HydrophobicContact CE2-CG2 4.24Å; F234-V326 HydrophobicContact CZ-CG2 4.01Å; L274-V326 HydrophobicContact CD2-CG1 3.92Å; F277-V326 HydrophobicContact CD1-CB 3.97Å; F277-V326 HydrophobicContact CD1-CG1 4.44Å; F277-V326 HydrophobicContact CD1-CG2 4.29Å; F277-V326 HydrophobicContact CE1-CB 3.73Å; F277-V326 HydrophobicContact CE1-CG1 4.09Å; F277-V326 HydrophobicContact CE1-CG2 3.62Å; F277-V326 HydrophobicContact CE2-CG2 4.28Å; F277-V326 HydrophobicContact CZ-CB 4.21Å; F277-V326 HydrophobicContact CZ-CG2 3.61Å; F277-V326 PolarHBondContact N-O 2.62Å; F277-V326 VanDerWaalsContact N-O 3.13Å; F277-V326 PolarHBondContact O-N 3.22Å; L324-V326 HydrophobicContact CD2-CG2 4.13Å; L324-V326 HydrophobicContact CG-CG2 4.04Å; V326-V331 HydrophobicContact CG2-CG2 4.1Å; V326-L384 WeakPolarHBondContact O-CD1 3.38Å
327N93.9Very high77.5Confident8 Ų823.8 Ų23.84%0.04316%0.164CC..  trans-140.9-173.3179.169.719000112.9W177 K276 D329 G330 A333W177-N327 PolarHBondContact NE1-O 3.35Å; K276-N327 HydrophobicContact CG-CB 4.22Å; N327-D329 PolarHBondContact O-N 3.08Å; N327-D329 PolarHBondContact OD1-N 3.39Å; N327-G330 PolarHBondContact N-O 3.26Å; N327-G330 PolarHBondContact O-N 2.94Å; N327-G330 PolarHBondContact OD1-N 3.34Å; N327-G330 PolarHBondContact OD1-O 2.81Å; N327-G330 VanDerWaalsContact OD1-O 3.08Å; N327-A333 PolarHBondContact ND2-O 2.81Å
328E93.9Very high74.6Confident6 Ų626 Ų263%0.02818%0.177CC..SBendtrans-64.8-28.2-175-66.186.9163.800113P180 F181 N183 T186 M204 K276P180-E328 CarbonylContact C-O 3.47Å; P180-E328 VanDerWaalsContact CA-O 3.31Å; P180-E328 WeakPolarHBondContact CA-O 3.41Å; P180-E328 WeakPolarHBondContact CB-O 3.31Å; F181-E328 HydrophobicContact CB-CB 3.98Å; F181-E328 HydrophobicContact CB-CG 4.02Å; F181-E328 PolarHBondContact N-O 2.86Å; N183-E328 WeakPolarHBondContact OD1-CB 3.13Å; N183-E328 WeakPolarHBondContact OD1-CG 3.41Å; N183-E328 PolarHBondContact OD1-OE1 2.6Å; T186-E328 WeakPolarHBondContact CB-OE1 3.35Å; T186-E328 WeakPolarHBondContact CG2-OE1 3.45Å; T186-E328 WeakPolarHBondContact OG1-CG 3.44Å; T186-E328 PolarHBondContact OG1-OE1 2.79Å; M204-E328 HydrophobicContact CG-CG 4.04Å; M204-E328 VanDerWaalsContact SD-CA 3.57Å; M204-E328 HydrophobicContact SD-CB 4.22Å; M204-E328 HydrophobicContact SD-CG 3.7Å; M204-E328 PolarHBondContact SD-N 3.06Å; K276-E328 WeakPolarHBondContact CD-OE2 3.48Å; K276-E328 WeakPolarHBondContact CE-OE2 3.37Å; K276-E328 VanDerWaalsContact NZ-CD 3.33Å; K276-E328 IonicContact NZ-OE1 2.79Å; K276-E328 PolarHBondContact NZ-OE1 3.05Å; K276-E328 VanDerWaalsContact NZ-OE1 3.14Å; K276-E328 IonicContact NZ-OE2 3.43Å; K276-E328 PolarHBondContact NZ-OE2 3.3Å
329D91.5Very high71.5Confident20 Ų2033.6 Ų33.611%0.10722%0.215CC..SBendtrans-89.2-30.9-177.7-68.1-35.7000112.4K176 W177 N327 A333 V338K176-D329 CarbonylContact C-O 3.55Å; K176-D329 VanDerWaalsContact CA-O 3.31Å; K176-D329 WeakPolarHBondContact CA-O 3.45Å; W177-D329 PolarHBondContact N-O 2.86Å; N327-D329 PolarHBondContact O-N 3.08Å; N327-D329 PolarHBondContact OD1-N 3.39Å; D329-A333 HydrophobicContact CB-CB 3.55Å; D329-V338 VanDerWaalsContact OD1-CG2 3.25Å; D329-V338 WeakPolarHBondContact OD1-CG2 3.29Å
330G91.2Very high68.8Low0 Ų035.6 Ų35.60%024%0.242CC..EExtended strand (participates in β ladder)trans169.3-160.9-17500000116G175 W177 N327G175-G330 CarbonylContact O-C 3.57Å; G175-G330 WeakPolarHBondContact O-CA 3.49Å; W177-G330 VanDerWaalsContact CD1-CA 3.46Å; W177-G330 VanDerWaalsContact NE1-CA 3.28Å; N327-G330 PolarHBondContact N-O 3.26Å; N327-G330 PolarHBondContact O-N 2.94Å; N327-G330 PolarHBondContact OD1-N 3.34Å; N327-G330 PolarHBondContact OD1-O 2.81Å; N327-G330 VanDerWaalsContact OD1-O 3.08Å
331V87Confident65.8Low3 Ų342.9 Ų42.92%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-97.8114.8158.9174.20000106.8F173 K174 G175 W177 F227 F234 L324 K325 V326F173-V331 HydrophobicContact CD1-CB 4.1Å; F173-V331 HydrophobicContact CD1-CG1 3.79Å; F173-V331 HydrophobicContact CE1-CB 4.06Å; F173-V331 HydrophobicContact CE1-CG1 4.26Å; K174-V331 CarbonylContact C-O 3.57Å; K174-V331 WeakPolarHBondContact CA-O 3.08Å; G175-V331 PolarHBondContact N-O 3.13Å; G175-V331 PolarHBondContact O-N 3.23Å; W177-V331 HydrophobicContact CH2-CG2 3.9Å; W177-V331 HydrophobicContact CZ2-CG2 4.16Å; F227-V331 HydrophobicContact CE1-CB 3.88Å; F227-V331 HydrophobicContact CE1-CG2 3.77Å; F227-V331 HydrophobicContact CZ-CB 3.91Å; F227-V331 HydrophobicContact CZ-CG2 3.57Å; F234-V331 HydrophobicContact CD2-CG2 4.21Å; L324-V331 HydrophobicContact CD1-CG1 3.52Å; L324-V331 HydrophobicContact CD1-CG2 4.34Å; K325-V331 CarbonylContact O-C 3.56Å; K325-V331 VanDerWaalsContact O-CA 3.26Å; K325-V331 WeakPolarHBondContact O-CA 3.46Å; V326-V331 HydrophobicContact CG2-CG2 4.1Å
332E73.2Confident63.3Low22 Ų2245.4 Ų45.410%0.10331%0.305CS..SBendtrans39.569.4-164.2-156.7-175.2156.400115.5L150 Y172 K174 K325L150-E332 HydrophobicContact CD1-CG 4.4Å; L150-E332 WeakPolarHBondContact CD1-OE2 3.25Å; Y172-E332 WeakPolarHBondContact CD2-OE2 3.43Å; Y172-E332 WeakPolarHBondContact CE2-OE1 3.08Å; Y172-E332 WeakPolarHBondContact CE2-OE2 3.3Å; Y172-E332 PolarHBondContact OH-OE1 3Å; Y172-E332 PolarHBondContact OH-OE2 2.86Å; K174-E332 WeakPolarHBondContact CD-O 3.48Å; K174-E332 WeakPolarHBondContact CE-O 3.31Å; K174-E332 WeakPolarHBondContact CG-O 3.47Å; K325-E332 PolarHBondContact O-N 3.23Å
333A48.6Very low60.6Low5 Ų553.7 Ų53.74%0.04135%0.349CS..  trans-102.9132.3150.900000109.2K176 N327 D329K176-A333 HydrophobicContact CG-CB 3.95Å; N327-A333 PolarHBondContact ND2-O 2.81Å; D329-A333 HydrophobicContact CB-CB 3.55Å
334A32.6Very low58.6Low74 Ų7460.8 Ų60.861%0.61237%0.373SS*.  trans-105.3130.1174.300000108.5
335A29.1Very low56.5Low104 Ų10466 Ų6686%0.8641%0.409SS*.  trans43.995.2172.400000116.7
336A29.1Very low54.5Low52 Ų5270 Ų7043%0.4345%0.446SS..  trans-147.1128.3146.800000110.5V338A336-V338 PolarHBondContact O-N 3.08Å
337T32Very low52.6Low130 Ų13074.8 Ų74.880%0.79847%0.465SS*.  trans-67.792.9170-46.60000108.5M339T337-M339 PolarHBondContact O-N 2.91Å
338V34.5Very low50.8Low57 Ų5778.9 Ų78.935%0.34549%0.492SS..  trans-76.695.4174.8-178.10000109.2P180 D329 A336P180-V338 HydrophobicContact CB-CG2 4.49Å; P180-V338 HydrophobicContact CG-CG1 3.74Å; P180-V338 HydrophobicContact CG-CG2 4.27Å; D329-V338 VanDerWaalsContact OD1-CG2 3.25Å; D329-V338 WeakPolarHBondContact OD1-CG2 3.29Å; A336-V338 PolarHBondContact O-N 3.08Å
339M31.2Very low49.1Very low161 Ų16184.1 Ų84.179%0.79353%0.526SS*.  trans-86.6102160.9-96.9-163.4-78.100108.9T337T337-M339 PolarHBondContact O-N 2.91Å
340G37.4Very low47.7Very low66 Ų6685.3 Ų85.368%0.6854%0.535SS*.  trans-123.168172.600000111G342G340-G342 PolarHBondContact O-N 2.83Å
341I32.4Very low47.2Very low153 Ų15390 Ų9079%0.78557%0.568SS**  trans-77.379.4169.9-52.4175.1000107.5
342G39.9Very low47.5Very low53 Ų5391.3 Ų91.355%0.54657%0.574SS.*  trans-90.195.6166.200000109G340 R344G340-G342 PolarHBondContact O-N 2.83Å; G342-R344 PolarHBondContact O-N 3.46Å
343L34.4Very low48.6Very low174 Ų17499.1 Ų99.191%0.91160%0.603SS**  trans-50.3108.8158.6-86.2143.4000107.1
344R44.4Very low50.9Low163 Ų16398.9 Ų98.962%0.61560%0.601SS**  trans-119.5124174.8-70.1-173.1-172.8-143.48.4108.4G342 R347G342-R344 PolarHBondContact O-N 3.46Å; R344-R347 VanDerWaalsContact CZ-NH2 3.33Å
345S44.3Very low54Low111 Ų11197 Ų9778%0.77658%0.581SS**  trans-36.8148.8163.213.40000111.7R347S345-R347 PolarHBondContact O-N 3.49Å
346A50.5Low57.3Low107 Ų10792 Ų9288%0.88454%0.54SS*.  trans-3997.2-178.900000111.6
347R53.7Low60.6Low101 Ų10191.6 Ų91.638%0.38153%0.53SS..PPolyproline II helixtrans-71.4137.8167.1-72.6-178.6177.9172.3-3.7106.1M207 R344 S345M207-R347 PolarHBondContact O-NH1 3.04Å; R344-R347 VanDerWaalsContact CZ-NH2 3.33Å; S345-R347 PolarHBondContact O-N 3.49Å
348P55.8Low63.6Low94 Ų9486.9 Ų86.961%0.6150%0.499SS*.PPolyproline II helixtrans-52.313917120.8-30.2000108.7
349P58.4Low66.7Low116 Ų11684.3 Ų84.375%0.75348%0.484SS*.PPolyproline II helixtrans-52.7139178.521.1-31.4000109.2S351P349-S351 PolarHBondContact O-N 2.77Å
350P62.2Low69.8Low45 Ų4576.7 Ų76.729%0.29245%0.446SS..PPolyproline II helixtrans-59.2129.6-176.924.5-32.8000109.3M207 A271 I352M207-P350 HydrophobicContact CG-CG 4.28Å; M207-P350 HydrophobicContact SD-CG 3.8Å; A271-P350 HydrophobicContact CB-CB 4.03Å; A271-P350 HydrophobicContact CB-CG 3.79Å; P350-I352 PolarHBondContact O-N 3.16Å
351S79.9Confident72.7Confident100 Ų10073.5 Ų73.570%0.69941%0.414SS*.SBendtrans-77.9-14.9177.856.10000112.4P349P349-S351 PolarHBondContact O-N 2.77Å
352I94.4Very high75.9Confident29 Ų2966.3 Ų66.315%0.14938%0.377CS..EExtended strand (participates in β ladder)trans-130.7127.8-174.3-57.2178.4000109.3Y212 K268 Q269 V270 A271 P350Y212-I352 HydrophobicContact CD1-CD1 3.47Å; Y212-I352 VanDerWaalsContact CD1-CD1 3.47Å; Y212-I352 HydrophobicContact CD2-CG2 4.08Å; Y212-I352 HydrophobicContact CE1-CD1 3.69Å; Y212-I352 HydrophobicContact CE2-CG2 3.88Å; Y212-I352 HydrophobicContact CG-CD1 3.91Å; Y212-I352 HydrophobicContact CG-CG2 4.47Å; K268-I352 HydrophobicContact CB-CD1 3.68Å; K268-I352 HydrophobicContact CG-CD1 3.82Å; Q269-I352 PolarHBondContact O-N 3.15Å; V270-I352 CarbonylContact C-O 3.57Å; V270-I352 WeakPolarHBondContact CA-O 2.64Å; V270-I352 HydrophobicContact CG1-CG2 4.46Å; V270-I352 HydrophobicContact CG2-CB 4.24Å; V270-I352 HydrophobicContact CG2-CG2 4.3Å; A271-I352 PolarHBondContact N-O 3.19Å; P350-I352 PolarHBondContact O-N 3.16Å
353R96Very high78.6Confident187 Ų18764.1 Ų64.171%0.70635%0.352SS*.EExtended strand (participates in β ladder)trans-105.4127.6169.5-174.3171.2176179.6-9.8108.6D355R353-D355 IonicContact CZ-OD2 3.99Å; R353-D355 IonicContact NE-OD1 3.56Å; R353-D355 PolarHBondContact NE-OD1 3.05Å; R353-D355 IonicContact NE-OD2 3.59Å; R353-D355 PolarHBondContact NE-OD2 2.95Å; R353-D355 IonicContact NH2-OD1 2.72Å; R353-D355 IonicContact NH2-OD2 3.08Å; R353-D355 PolarHBondContact NH2-OD2 3.33Å
354F97.9Very high81.6Confident0 Ų055.9 Ų55.90%031%0.309CS..EExtended strand (participates in β ladder)trans-127.992.3179.8-163.5-83000108.3Y212 H221 I223 V236 L238 V270 A271 L272 S273 V356Y212-F354 HydrophobicContact CD2-CD2 4.22Å; Y212-F354 AromaticContact CE2-CD2 3.97Å; Y212-F354 HydrophobicContact CE2-CD2 3.97Å; Y212-F354 HydrophobicContact CE2-CE2 4.32Å; H221-F354 HydrophobicContact CB-CE2 4.47Å; H221-F354 AromaticContact CD2-CE2 3.47Å; H221-F354 VanDerWaalsContact CD2-CE2 3.47Å; H221-F354 WeakPolarHBondContact CD2-CE2 3.36Å; H221-F354 AromaticContact CG-CE2 3.81Å; H221-F354 AromaticContact NE2-CE2 3.62Å; I223-F354 HydrophobicContact CD1-CD1 4.27Å; I223-F354 HydrophobicContact CD1-CE1 4.3Å; I223-F354 HydrophobicContact CG1-CD1 4.06Å; I223-F354 HydrophobicContact CG1-CE1 3.75Å; I223-F354 HydrophobicContact CG1-CZ 4.06Å; I223-F354 HydrophobicContact CG2-CB 4.34Å; I223-F354 HydrophobicContact CG2-CD1 4.07Å; I223-F354 HydrophobicContact CG2-CD2 3.73Å; I223-F354 HydrophobicContact CG2-CE1 4.28Å; I223-F354 HydrophobicContact CG2-CE2 3.96Å; I223-F354 HydrophobicContact CG2-CG 3.77Å; I223-F354 HydrophobicContact CG2-CZ 4.23Å; V236-F354 HydrophobicContact CB-CE1 4.11Å; V236-F354 HydrophobicContact CG1-CE1 3.89Å; V236-F354 HydrophobicContact CG1-CZ 4.34Å; L238-F354 HydrophobicContact CB-CZ 4.33Å; L238-F354 HydrophobicContact CD1-CD1 4.21Å; L238-F354 HydrophobicContact CD1-CE1 3.63Å; L238-F354 HydrophobicContact CD1-CE2 4.41Å; L238-F354 HydrophobicContact CD1-CZ 3.75Å; L238-F354 HydrophobicContact CG-CE1 4.29Å; L238-F354 HydrophobicContact CG-CZ 4.12Å; V270-F354 HydrophobicContact CG1-CB 3.69Å; A271-F354 PolarHBondContact O-N 2.68Å; L272-F354 WeakPolarHBondContact CA-O 3.17Å; L272-F354 HydrophobicContact CD1-CB 4.43Å; L272-F354 HydrophobicContact CD1-CD1 3.79Å; L272-F354 WeakPolarHBondContact CD1-O 3.31Å; S273-F354 PolarHBondContact N-O 2.93Å; F354-V356 HydrophobicContact CD1-CG2 3.8Å; F354-V356 HydrophobicContact CE1-CG2 3.67Å
355D97.4Very high84.1Confident33 Ų3348.4 Ų48.418%0.17628%0.281CS..EExtended strand (participates in β ladder)trans-99.6113.5-178.2-68-26.9000110.4L238 S273 R353 N357L238-D355 WeakPolarHBondContact CD1-O 3.48Å; S273-D355 WeakPolarHBondContact CB-OD1 3.33Å; S273-D355 PolarHBondContact OG-OD1 3.16Å; R353-D355 IonicContact CZ-OD2 3.99Å; R353-D355 IonicContact NE-OD1 3.56Å; R353-D355 PolarHBondContact NE-OD1 3.05Å; R353-D355 IonicContact NE-OD2 3.59Å; R353-D355 PolarHBondContact NE-OD2 2.95Å; R353-D355 IonicContact NH2-OD1 2.72Å; R353-D355 IonicContact NH2-OD2 3.08Å; R353-D355 PolarHBondContact NH2-OD2 3.33Å; D355-N357 PolarHBondContact O-N 2.87Å
356V98.3Very high86.5Confident0 Ų043.1 Ų43.10%024%0.244CC..  trans-86.860.9176.8-1680000109.3V236 L238 L272 S273 L274 P275 F354 F360V236-V356 HydrophobicContact CG1-CG1 3.95Å; V236-V356 HydrophobicContact CG1-CG2 3.79Å; L238-V356 HydrophobicContact CD1-CG2 4.25Å; L272-V356 HydrophobicContact CD1-CG2 4.19Å; S273-V356 WeakPolarHBondContact O-CB 3.35Å; S273-V356 WeakPolarHBondContact O-CG2 3.34Å; S273-V356 PolarHBondContact O-N 3.04Å; L274-V356 HydrophobicContact CD1-CB 4.15Å; L274-V356 HydrophobicContact CD1-CG1 4.25Å; L274-V356 HydrophobicContact CD1-CG2 3.91Å; P275-V356 VanDerWaalsContact CD-O 3.26Å; P275-V356 WeakPolarHBondContact CD-O 3.46Å; P275-V356 HydrophobicContact CG-CG1 4.39Å; F354-V356 HydrophobicContact CD1-CG2 3.8Å; F354-V356 HydrophobicContact CE1-CG2 3.67Å; V356-F360 HydrophobicContact CG1-CB 4.19Å; V356-F360 HydrophobicContact CG1-CD1 3.32Å; V356-F360 HydrophobicContact CG1-CD2 4.17Å; V356-F360 HydrophobicContact CG1-CE1 3.57Å; V356-F360 HydrophobicContact CG1-CE2 4.37Å; V356-F360 HydrophobicContact CG1-CG 3.65Å; V356-F360 HydrophobicContact CG1-CZ 4.09Å
357N97.1Very high88.5Confident44 Ų4440.5 Ų40.524%0.23521%0.213CC..  trans-10514.2-177.468.2-5.5000113.3E190 F191 K192 M203 D355E190-N357 WeakPolarHBondContact O-CB 3.49Å; F191-N357 CarbonylContact C-O 3.56Å; F191-N357 WeakPolarHBondContact CA-O 3.47Å; K192-N357 PolarHBondContact N-O 3.17Å; M203-N357 HydrophobicContact CE-CB 4.32Å; D355-N357 PolarHBondContact O-N 2.87Å
358E96.8Very high90.4Very high30 Ų3041.3 Ų41.314%0.1422%0.223CC..BIsolated β-bridgetrans-140.8169.9173.866.1-177101.500110.2F191 K192 L238 P242 G243 F360F191-E358 VanDerWaalsContact CE2-O 3.24Å; F191-E358 WeakPolarHBondContact CE2-O 3.39Å; F191-E358 WeakPolarHBondContact CZ-O 3.19Å; K192-E358 HydrophobicContact CB-CB 4.39Å; K192-E358 VanDerWaalsContact O-CA 3.32Å; K192-E358 WeakPolarHBondContact O-CA 3.43Å; L238-E358 HydrophobicContact CD2-CG 3.78Å; P242-E358 WeakPolarHBondContact CA-OE2 3.14Å; G243-E358 PolarHBondContact N-OE2 3.3Å; E358-F360 WeakPolarHBondContact O-CD1 3.45Å
359S97.6Very high92.1Very high4 Ų437.7 Ų37.73%0.02820%0.199CC..  trans-53.1141.7177.9-57.80000112.3K192 N194 L245 I378 I379K192-S359 PolarHBondContact O-N 3.45Å; N194-S359 PolarHBondContact N-OG 2.91Å; L245-S359 WeakPolarHBondContact CD1-O 3.28Å; S359-I378 CarbonylContact C-O 3.59Å; S359-I378 WeakPolarHBondContact CA-O 3.33Å; S359-I378 VanDerWaalsContact CB-O 3.25Å; S359-I378 WeakPolarHBondContact CB-O 3.34Å; S359-I379 WeakPolarHBondContact OG-CA 3.46Å; S359-I379 PolarHBondContact OG-O 3.45Å
360F98.1Very high93.8Very high0 Ų038.2 Ų38.20%019%0.189CC..EExtended strand (participates in β ladder)trans-147.2163.3-17062.3-86.6000112.4F191 V236 L238 P275 F277 V356 E358 C362 I378F191-F360 HydrophobicContact CE2-CD1 4.06Å; F191-F360 AromaticContact CE2-CE1 3.91Å; F191-F360 HydrophobicContact CE2-CE1 3.91Å; F191-F360 HydrophobicContact CZ-CD1 4.06Å; F191-F360 HydrophobicContact CZ-CE1 4.06Å; V236-F360 HydrophobicContact CG1-CB 4.13Å; V236-F360 HydrophobicContact CG1-CD2 3.78Å; V236-F360 HydrophobicContact CG1-CE2 4.48Å; V236-F360 HydrophobicContact CG1-CG 4.13Å; L238-F360 HydrophobicContact CD2-CB 3.61Å; L238-F360 HydrophobicContact CG-CB 4.31Å; P275-F360 HydrophobicContact CG-CE1 4.07Å; P275-F360 HydrophobicContact CG-CZ 4.35Å; F277-F360 HydrophobicContact CE1-CE2 4.43Å; F277-F360 AromaticContact CE1-CZ 3.74Å; F277-F360 HydrophobicContact CE1-CZ 3.74Å; F277-F360 HydrophobicContact CZ-CE2 4.23Å; F277-F360 AromaticContact CZ-CZ 3.79Å; F277-F360 HydrophobicContact CZ-CZ 3.79Å; V356-F360 HydrophobicContact CG1-CB 4.19Å; V356-F360 HydrophobicContact CG1-CD1 3.32Å; V356-F360 HydrophobicContact CG1-CD2 4.17Å; V356-F360 HydrophobicContact CG1-CE1 3.57Å; V356-F360 HydrophobicContact CG1-CE2 4.37Å; V356-F360 HydrophobicContact CG1-CG 3.65Å; V356-F360 HydrophobicContact CG1-CZ 4.09Å; E358-F360 WeakPolarHBondContact O-CD1 3.45Å; F360-C362 HydrophobicContact CD2-CB 3.98Å; F360-C362 HydrophobicContact CE2-CB 3.81Å; F360-I378 HydrophobicContact CD1-CB 4.04Å; F360-I378 HydrophobicContact CD1-CG2 4.39Å; F360-I378 HydrophobicContact CD2-CB 4.24Å; F360-I378 HydrophobicContact CD2-CG1 4.07Å; F360-I378 HydrophobicContact CE1-CB 3.72Å; F360-I378 HydrophobicContact CE1-CG1 4.19Å; F360-I378 HydrophobicContact CE1-CG2 3.7Å; F360-I378 HydrophobicContact CE2-CB 3.94Å; F360-I378 HydrophobicContact CE2-CG1 3.52Å; F360-I378 HydrophobicContact CG-CB 4.3Å; F360-I378 HydrophobicContact CZ-CB 3.67Å; F360-I378 HydrophobicContact CZ-CG1 3.6Å; F360-I378 HydrophobicContact CZ-CG2 3.79Å; F360-I378 PolarHBondContact N-O 3.37Å; F360-I378 PolarHBondContact O-N 3.19Å
361I98.2Very high95.3Very high0 Ų036.2 Ų36.20%018%0.176CC..EExtended strand (participates in β ladder)trans-100.3139.1168.1-55.5-53.6000108.5V236 I237 L245 A248 L252 Y363 G376 R377V236-I361 WeakPolarHBondContact CA-O 3.27Å; I237-I361 HydrophobicContact CB-CB 4.23Å; I237-I361 PolarHBondContact N-O 2.86Å; I237-I361 PolarHBondContact O-N 3.01Å; L245-I361 HydrophobicContact CD1-CD1 4.17Å; L245-I361 HydrophobicContact CD1-CG1 4.25Å; A248-I361 HydrophobicContact CB-CB 4.43Å; A248-I361 HydrophobicContact CB-CG1 3.69Å; L252-I361 HydrophobicContact CB-CD1 4.31Å; L252-I361 HydrophobicContact CB-CG2 4.03Å; L252-I361 HydrophobicContact CD2-CD1 4.01Å; I361-Y363 HydrophobicContact CG2-CD2 4.36Å; I361-Y363 HydrophobicContact CG2-CE2 3.51Å; I361-G376 CarbonylContact C-O 3.53Å; I361-G376 WeakPolarHBondContact CA-O 3.47Å; I361-G376 WeakPolarHBondContact CG2-O 3.33Å; I361-R377 HydrophobicContact CD1-CB 3.77Å; I361-R377 HydrophobicContact CD1-CG 3.76Å
362C98Very high96Very high2 Ų231.9 Ų31.91%0.01415%0.146CC..EExtended strand (participates in β ladder)trans-134.9156.1175.768.30000113.7F234 I235 F360 G376F234-C362 HydrophobicContact CE1-CB 4.35Å; F234-C362 HydrophobicContact CE2-CB 4.04Å; F234-C362 HydrophobicContact CZ-CB 3.66Å; I235-C362 CarbonylContact O-C 3.52Å; I235-C362 WeakPolarHBondContact O-CA 3.42Å; I235-C362 WeakPolarHBondContact O-CB 3.35Å; F360-C362 HydrophobicContact CD2-CB 3.98Å; F360-C362 HydrophobicContact CE2-CB 3.81Å; C362-G376 PolarHBondContact N-O 2.79Å; C362-G376 PolarHBondContact O-N 3Å
363Y97.9Very high96Very high6 Ų630.5 Ų30.52%0.02414%0.139CC..EExtended strand (participates in β ladder)trans-138.2146.2173.2-56-97.4000111.3F234 I235 I237 V251 L252 L258 I361 F374 A375F234-Y363 CarbonylContact C-O 3.47Å; F234-Y363 WeakPolarHBondContact CA-O 3.47Å; F234-Y363 WeakPolarHBondContact CD2-O 3.33Å; I235-Y363 HydrophobicContact CB-CD2 4.3Å; I235-Y363 HydrophobicContact CG2-CD2 4.24Å; I235-Y363 PolarHBondContact N-O 3.06Å; I235-Y363 PolarHBondContact O-N 3.38Å; I237-Y363 HydrophobicContact CD1-CD2 4.34Å; I237-Y363 HydrophobicContact CD1-CE2 3.7Å; I237-Y363 HydrophobicContact CG1-CE2 4.47Å; V251-Y363 VanDerWaalsContact C-OH 3.28Å; V251-Y363 PolarHBondContact O-OH 3.3Å; L252-Y363 WeakPolarHBondContact CA-OH 3.26Å; L252-Y363 HydrophobicContact CD1-CE1 4.42Å; L252-Y363 PolarHBondContact N-OH 3.15Å; L258-Y363 HydrophobicContact CD1-CD2 4.25Å; L258-Y363 HydrophobicContact CD1-CE2 4.13Å; L258-Y363 HydrophobicContact CD2-CD1 3.68Å; L258-Y363 HydrophobicContact CD2-CD2 3.92Å; L258-Y363 HydrophobicContact CD2-CE1 3.81Å; L258-Y363 HydrophobicContact CD2-CE2 4.07Å; L258-Y363 HydrophobicContact CD2-CG 3.71Å; I361-Y363 HydrophobicContact CG2-CD2 4.36Å; I361-Y363 HydrophobicContact CG2-CE2 3.51Å; Y363-F374 WeakPolarHBondContact CA-O 3.41Å; Y363-F374 WeakPolarHBondContact CB-O 3.37Å; Y363-F374 WeakPolarHBondContact CD1-O 3.26Å; Y363-A375 HydrophobicContact CD1-CB 3.57Å; Y363-A375 HydrophobicContact CE1-CB 3.46Å; Y363-A375 VanDerWaalsContact CE1-CB 3.46Å
364V96.2Very high95.9Very high2 Ų221.7 Ų21.71%0.01211%0.106CC..EExtended strand (participates in β ladder)trans-94115.7151.4179.50000105.9F173 F227 F234 L324 S372 L373 F374F173-V364 HydrophobicContact CD1-CG1 3.84Å; F173-V364 HydrophobicContact CD1-CG2 4.29Å; F173-V364 HydrophobicContact CD2-CG1 4.18Å; F173-V364 HydrophobicContact CE1-CG1 3.72Å; F173-V364 HydrophobicContact CE2-CG1 4.07Å; F173-V364 HydrophobicContact CG-CG1 4.07Å; F173-V364 HydrophobicContact CZ-CG1 3.84Å; F227-V364 HydrophobicContact CE2-CG1 4.24Å; F234-V364 HydrophobicContact CD2-CG2 4.13Å; L324-V364 HydrophobicContact CD1-CG2 3.9Å; V364-S372 CarbonylContact O-C 3.54Å; V364-L373 HydrophobicContact CB-CB 4.28Å; V364-L373 HydrophobicContact CG1-CB 4.15Å; V364-L373 HydrophobicContact CG1-CD1 4Å; V364-L373 HydrophobicContact CG1-CG 4.45Å; V364-L373 PolarHBondContact O-N 2.86Å; V364-F374 HydrophobicContact CB-CB 4.14Å; V364-F374 HydrophobicContact CB-CD2 3.87Å; V364-F374 HydrophobicContact CB-CG 4.43Å; V364-F374 HydrophobicContact CG2-CB 4.18Å; V364-F374 HydrophobicContact CG2-CD2 3.95Å; V364-F374 HydrophobicContact CG2-CG 4.33Å; V364-F374 PolarHBondContact N-O 2.73Å; V364-F374 VanDerWaalsContact N-O 3.14Å; V364-F374 PolarHBondContact O-N 2.87Å
365Y96.6Very high95.9Very high5 Ų521.7 Ų21.72%0.0211%0.106CC..EExtended strand (participates in β ladder)trans-114136-169.1-171.9-103.8000111.8F232 S233 I235 L258 V262 K367 K370 T371F232-Y365 VanDerWaalsContact CA-O 3.29Å; F232-Y365 WeakPolarHBondContact CA-O 3.39Å; S233-Y365 PolarHBondContact N-O 2.84Å; S233-Y365 PolarHBondContact O-N 2.83Å; I235-Y365 HydrophobicContact CD1-CD1 4.18Å; I235-Y365 HydrophobicContact CD1-CD2 4.26Å; I235-Y365 HydrophobicContact CD1-CG 3.75Å; L258-Y365 HydrophobicContact CD2-CD2 3.66Å; L258-Y365 HydrophobicContact CD2-CE2 3.83Å; L258-Y365 HydrophobicContact CG-CD2 4.39Å; L258-Y365 HydrophobicContact CG-CE2 4.21Å; V262-Y365 HydrophobicContact CB-CE1 4.39Å; V262-Y365 HydrophobicContact CG1-CD1 4.39Å; V262-Y365 HydrophobicContact CG1-CE1 3.92Å; V262-Y365 HydrophobicContact CG2-CD1 4.48Å; V262-Y365 HydrophobicContact CG2-CE1 4.22Å; Y365-K367 HydrophobicContact CD1-CG 3.98Å; Y365-K367 HydrophobicContact CE1-CG 4.24Å; Y365-K370 WeakPolarHBondContact OH-CA 3.45Å; Y365-K370 WeakPolarHBondContact OH-CB 3.41Å; Y365-K370 PolarHBondContact OH-O 3.22Å; Y365-T371 VanDerWaalsContact CD2-O 3.3Å; Y365-T371 WeakPolarHBondContact CD2-O 3.21Å
366D95Very high95.8Very high0 Ų020.1 Ų20.10%010%0.097CC..EExtended strand (participates in β ladder)trans-96.6110.2171.6-174.3-28.7000109.8R231 F232 I368 L369 K370 T371 L373R231-D366 WeakPolarHBondContact CG-OD1 3.38Å; R231-D366 IonicContact CZ-OD1 2.68Å; R231-D366 IonicContact CZ-OD2 3.94Å; R231-D366 VanDerWaalsContact NE-CG 3.32Å; R231-D366 IonicContact NE-OD1 2.78Å; R231-D366 PolarHBondContact NE-OD1 2.66Å; R231-D366 VanDerWaalsContact NE-OD1 3.14Å; R231-D366 IonicContact NE-OD2 3.88Å; R231-D366 PolarHBondContact NE-OD2 2.91Å; R231-D366 IonicContact NH2-OD1 2.99Å; R231-D366 IonicContact NH2-OD2 2.71Å; R231-D366 PolarHBondContact NH2-OD2 3.14Å; F232-D366 HydrophobicContact CD1-CB 4.15Å; F232-D366 HydrophobicContact CE1-CB 4Å; D366-I368 VanDerWaalsContact C-N 3.3Å; D366-I368 PolarHBondContact O-N 2.87Å; D366-I368 WeakPolarHBondContact OD1-CA 3.32Å; D366-I368 WeakPolarHBondContact OD1-CB 3.38Å; D366-I368 PolarHBondContact OD1-N 2.91Å; D366-L369 HydrophobicContact CB-CB 4.3Å; D366-L369 PolarHBondContact OD1-N 3.26Å; D366-L369 WeakPolarHBondContact OD2-CD1 3.37Å; D366-K370 WeakPolarHBondContact O-CA 3.49Å; D366-K370 PolarHBondContact O-N 2.94Å; D366-T371 HydrophobicContact CB-CG2 4.46Å; D366-T371 PolarHBondContact N-O 3.43Å; D366-T371 PolarHBondContact O-N 2.64Å; D366-L373 HydrophobicContact CB-CD2 4.37Å; D366-L373 HydrophobicContact CB-CG 4.44Å
367K94Very high95.8Very high52 Ų5220.3 Ų20.323%0.22610%0.098CC..THydrogen-bonded Turntrans-71.1-22.7-178.4-65.5-173.8175-172.40113.6E211 R231 S233 Y365E211-K367 IonicContact OE1-NZ 3.14Å; E211-K367 PolarHBondContact OE1-NZ 3.3Å; E211-K367 IonicContact OE2-NZ 2.91Å; E211-K367 PolarHBondContact OE2-NZ 3.49Å; R231-K367 WeakPolarHBondContact O-CB 3.45Å; R231-K367 WeakPolarHBondContact O-CG 3.24Å; R231-K367 PolarHBondContact O-N 2.84Å; S233-K367 WeakPolarHBondContact OG-CE 3.31Å; Y365-K367 HydrophobicContact CD1-CG 3.98Å; Y365-K367 HydrophobicContact CE1-CG 4.24Å
368I92.3Very high95.7Very high118 Ų11818.2 Ų18.261%0.6059%0.087SC*.THydrogen-bonded Turntrans-82.6-51.1179.9-62.8-62.4000110R231 D366 K370R231-I368 HydrophobicContact CB-CG1 4.38Å; R231-I368 HydrophobicContact CG-CB 4.33Å; R231-I368 HydrophobicContact CG-CG1 3.85Å; D366-I368 VanDerWaalsContact C-N 3.3Å; D366-I368 PolarHBondContact O-N 2.87Å; D366-I368 WeakPolarHBondContact OD1-CA 3.32Å; D366-I368 WeakPolarHBondContact OD1-CB 3.38Å; D366-I368 PolarHBondContact OD1-N 2.91Å; I368-K370 PolarHBondContact O-N 2.71Å
369L92.8Very high95.7Very high19 Ų1917 Ų1710%0.0998%0.081CC..THydrogen-bonded Turntrans-76.8-11.1176.3-64.8-179.1000113Y10 L79 L83 D366 T371Y10-L369 WeakPolarHBondContact CE2-O 3.43Å; Y10-L369 PolarHBondContact OH-O 3.45Å; L79-L369 HydrophobicContact CD2-CD1 4.21Å; L79-L369 HydrophobicContact CD2-CD2 4.36Å; L83-L369 HydrophobicContact CD2-CD1 3.69Å; L83-L369 HydrophobicContact CG-CD1 4.04Å; D366-L369 HydrophobicContact CB-CB 4.3Å; D366-L369 PolarHBondContact OD1-N 3.26Å; D366-L369 WeakPolarHBondContact OD2-CD1 3.37Å; L369-T371 VanDerWaalsContact C-N 3.3Å; L369-T371 HydrophobicContact CB-CG2 3.88Å; L369-T371 PolarHBondContact O-N 3.33Å
370K94Very high95.6Very high127 Ų12720.9 Ų20.955%0.55210%0.098SC*.THydrogen-bonded Turntrans53.944.4-176.4-60.2-178.1-178.41780112.3N11 Y365 D366 I368N11-K370 PolarHBondContact ND2-O 2.78Å; Y365-K370 WeakPolarHBondContact OH-CA 3.45Å; Y365-K370 WeakPolarHBondContact OH-CB 3.41Å; Y365-K370 PolarHBondContact OH-O 3.22Å; D366-K370 WeakPolarHBondContact O-CA 3.49Å; D366-K370 PolarHBondContact O-N 2.94Å; I368-K370 PolarHBondContact O-N 2.71Å
371T93.1Very high95.4Very high2 Ų221 Ų211%0.01210%0.098CC..EExtended strand (participates in β ladder)trans-140.1158.9-175.2-160.10000112.4Y10 N11 Y365 D366 L369Y10-T371 HydrophobicContact CD2-CG2 4.39Å; Y10-T371 HydrophobicContact CE2-CG2 4.16Å; N11-T371 WeakPolarHBondContact OD1-CB 3.46Å; N11-T371 PolarHBondContact OD1-OG1 2.79Å; Y365-T371 VanDerWaalsContact CD2-O 3.3Å; Y365-T371 WeakPolarHBondContact CD2-O 3.21Å; D366-T371 HydrophobicContact CB-CG2 4.46Å; D366-T371 PolarHBondContact N-O 3.43Å; D366-T371 PolarHBondContact O-N 2.64Å; L369-T371 VanDerWaalsContact C-N 3.3Å; L369-T371 HydrophobicContact CB-CG2 3.88Å; L369-T371 PolarHBondContact O-N 3.33Å
372S94Very high95.1Very high9 Ų923.9 Ų23.96%0.06312%0.116CC..EExtended strand (participates in β ladder)trans-84.3123.2174.354.50000111V364V364-S372 CarbonylContact O-C 3.54Å
373L94Very high94.8Very high0 Ų026 Ų260%013%0.129CC..EExtended strand (participates in β ladder)trans-72.2-36.6163.9-57.2-175.4000110.9S31 I33 L83 I94 F173 F232 V364 D366S31-L373 WeakPolarHBondContact CA-O 3.46Å; S31-L373 WeakPolarHBondContact CB-O 3.49Å; S31-L373 PolarHBondContact OG-O 2.94Å; I33-L373 HydrophobicContact CG2-CD2 4.19Å; L83-L373 HydrophobicContact CD2-CD2 3.54Å; I94-L373 HydrophobicContact CD1-CD1 3.45Å; I94-L373 VanDerWaalsContact CD1-CD1 3.45Å; I94-L373 HydrophobicContact CD1-CD2 4.28Å; I94-L373 HydrophobicContact CG1-CD1 4.07Å; F173-L373 HydrophobicContact CD2-CD1 3.9Å; F173-L373 HydrophobicContact CE2-CD1 4.17Å; F232-L373 HydrophobicContact CD1-CD1 3.79Å; F232-L373 HydrophobicContact CE1-CD1 3.67Å; F232-L373 HydrophobicContact CZ-CD1 4.48Å; V364-L373 HydrophobicContact CB-CB 4.28Å; V364-L373 HydrophobicContact CG1-CB 4.15Å; V364-L373 HydrophobicContact CG1-CD1 4Å; V364-L373 HydrophobicContact CG1-CG 4.45Å; V364-L373 PolarHBondContact O-N 2.86Å; D366-L373 HydrophobicContact CB-CD2 4.37Å; D366-L373 HydrophobicContact CB-CG 4.44Å
374F95.4Very high94.3Very high3 Ų326.2 Ų26.21%0.01313%0.131CC..EExtended strand (participates in β ladder)trans-134.8143.3171.9-67.8-106.7000108.7L29 S30 L171 F173 V322 A323 Y363 V364L29-F374 HydrophobicContact CD1-CB 4.25Å; L29-F374 HydrophobicContact CD1-CD1 4.13Å; L29-F374 HydrophobicContact CD2-CD1 4.29Å; L29-F374 HydrophobicContact CG-CD1 4.26Å; S30-F374 CarbonylContact O-C 3.55Å; S30-F374 WeakPolarHBondContact O-CA 3.49Å; L171-F374 HydrophobicContact CD2-CD2 4.01Å; L171-F374 HydrophobicContact CD2-CE1 4.29Å; L171-F374 HydrophobicContact CD2-CE2 3.07Å; L171-F374 HydrophobicContact CD2-CZ 3.27Å; F173-F374 HydrophobicContact CB-CD2 4.37Å; F173-F374 HydrophobicContact CB-CE2 3.44Å; F173-F374 VanDerWaalsContact CB-CE2 3.44Å; F173-F374 HydrophobicContact CB-CZ 4.08Å; F173-F374 HydrophobicContact CG-CE2 4.42Å; V322-F374 HydrophobicContact CB-CD1 4.19Å; V322-F374 HydrophobicContact CB-CE1 3.78Å; V322-F374 HydrophobicContact CG1-CD1 4.4Å; V322-F374 HydrophobicContact CG1-CE1 3.98Å; A323-F374 WeakPolarHBondContact O-CE1 3.42Å; Y363-F374 WeakPolarHBondContact CA-O 3.41Å; Y363-F374 WeakPolarHBondContact CB-O 3.37Å; Y363-F374 WeakPolarHBondContact CD1-O 3.26Å; V364-F374 HydrophobicContact CB-CB 4.14Å; V364-F374 HydrophobicContact CB-CD2 3.87Å; V364-F374 HydrophobicContact CB-CG 4.43Å; V364-F374 HydrophobicContact CG2-CB 4.18Å; V364-F374 HydrophobicContact CG2-CD2 3.95Å; V364-F374 HydrophobicContact CG2-CG 4.33Å; V364-F374 PolarHBondContact N-O 2.73Å; V364-F374 VanDerWaalsContact N-O 3.14Å; V364-F374 PolarHBondContact O-N 2.87Å
375A97.2Very high93.2Very high0 Ų031.4 Ų31.40%016%0.163CC..EExtended strand (participates in β ladder)trans-133.4129.7171.400000108.2L18 L29 S30 L252 Y363L18-A375 HydrophobicContact CD1-CB 3.91Å; L18-A375 HydrophobicContact CD2-CB 3.88Å; L29-A375 WeakPolarHBondContact CA-O 3.44Å; S30-A375 PolarHBondContact N-O 2.94Å; S30-A375 PolarHBondContact O-N 2.9Å; L252-A375 HydrophobicContact CD1-CB 3.79Å; Y363-A375 HydrophobicContact CD1-CB 3.57Å; Y363-A375 HydrophobicContact CE1-CB 3.46Å; Y363-A375 VanDerWaalsContact CE1-CB 3.46Å
376G96.1Very high91.5Very high0 Ų036.7 Ų36.70%019%0.192CC..EExtended strand (participates in β ladder)trans-153152.3-175.100000115.4Y28 I361 C362Y28-G376 CarbonylContact O-C 3.59Å; Y28-G376 WeakPolarHBondContact O-CA 3.47Å; I361-G376 CarbonylContact C-O 3.53Å; I361-G376 WeakPolarHBondContact CA-O 3.47Å; I361-G376 WeakPolarHBondContact CG2-O 3.33Å; C362-G376 PolarHBondContact N-O 2.79Å; C362-G376 PolarHBondContact O-N 3Å
377R97Very high89.4Confident3 Ų342 Ų421%0.01122%0.22CC..EExtended strand (participates in β ladder)trans-107121.7168.8-177.4-175.8-52.7112.4-2.5107.9A22 G24 N26 D27 Y28 L245 D249 L252 I361 I379A22-R377 VanDerWaalsContact O-CZ 3.29Å; A22-R377 PolarHBondContact O-NH1 3.43Å; A22-R377 PolarHBondContact O-NH2 3.49Å; G24-R377 PolarHBondContact O-NH1 2.96Å; N26-R377 WeakPolarHBondContact O-CD 3.41Å; N26-R377 PolarHBondContact O-NH1 3.28Å; D27-R377 WeakPolarHBondContact CA-O 3.35Å; Y28-R377 PolarHBondContact N-O 3.11Å; Y28-R377 PolarHBondContact O-N 3.48Å; L245-R377 HydrophobicContact CD2-CG 3.93Å; D249-R377 IonicContact OD1-CZ 3.36Å; D249-R377 IonicContact OD1-NE 4Å; D249-R377 PolarHBondContact OD1-NE 2.98Å; D249-R377 IonicContact OD1-NH2 3.45Å; D249-R377 PolarHBondContact OD1-NH2 3.26Å; D249-R377 IonicContact OD2-CZ 2.69Å; D249-R377 IonicContact OD2-NH2 3.18Å; D249-R377 PolarHBondContact OD2-NH2 3.19Å; L252-R377 HydrophobicContact CD2-CB 3.78Å; I361-R377 HydrophobicContact CD1-CB 3.77Å; I361-R377 HydrophobicContact CD1-CG 3.76Å; R377-I379 HydrophobicContact CG-CD1 3.87Å; R377-I379 HydrophobicContact CG-CG1 4.17Å
378I96.3Very high86.7Confident1 Ų150.8 Ų50.81%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-108.798.2177.8-47-57.4000107.8F277 L279 S359 F360 P381F277-I378 HydrophobicContact CE2-CD1 4.04Å; F277-I378 HydrophobicContact CE2-CG1 4.29Å; F277-I378 HydrophobicContact CZ-CG1 4.37Å; L279-I378 HydrophobicContact CD2-CD1 3.45Å; L279-I378 VanDerWaalsContact CD2-CD1 3.45Å; S359-I378 CarbonylContact C-O 3.59Å; S359-I378 WeakPolarHBondContact CA-O 3.33Å; S359-I378 VanDerWaalsContact CB-O 3.25Å; S359-I378 WeakPolarHBondContact CB-O 3.34Å; F360-I378 HydrophobicContact CD1-CB 4.04Å; F360-I378 HydrophobicContact CD1-CG2 4.39Å; F360-I378 HydrophobicContact CD2-CB 4.24Å; F360-I378 HydrophobicContact CD2-CG1 4.07Å; F360-I378 HydrophobicContact CE1-CB 3.72Å; F360-I378 HydrophobicContact CE1-CG1 4.19Å; F360-I378 HydrophobicContact CE1-CG2 3.7Å; F360-I378 HydrophobicContact CE2-CB 3.94Å; F360-I378 HydrophobicContact CE2-CG1 3.52Å; F360-I378 HydrophobicContact CG-CB 4.3Å; F360-I378 HydrophobicContact CZ-CB 3.67Å; F360-I378 HydrophobicContact CZ-CG1 3.6Å; F360-I378 HydrophobicContact CZ-CG2 3.79Å; F360-I378 PolarHBondContact N-O 3.37Å; F360-I378 PolarHBondContact O-N 3.19Å; I378-P381 HydrophobicContact CG2-CB 3.85Å; I378-P381 HydrophobicContact CG2-CG 4.24Å
379I96.4Very high86.4Confident4 Ų447.5 Ų47.52%0.02124%0.241CC..SBendtrans-78-57.9171.5-58.3-61.7000109.3T25 N26 D27 F191 P193 L245 S359 R377T25-I379 WeakPolarHBondContact O-CD1 3.39Å; T25-I379 WeakPolarHBondContact O-CG1 3.44Å; N26-I379 VanDerWaalsContact C-CG1 3.43Å; D27-I379 WeakPolarHBondContact OD1-CA 3.37Å; D27-I379 WeakPolarHBondContact OD1-CB 3.45Å; D27-I379 PolarHBondContact OD1-N 2.87Å; F191-I379 WeakPolarHBondContact CE1-O 3.43Å; P193-I379 WeakPolarHBondContact CA-O 3.38Å; P193-I379 VanDerWaalsContact CB-O 3.31Å; P193-I379 WeakPolarHBondContact CB-O 3.43Å; L245-I379 HydrophobicContact CD2-CD1 3.41Å; L245-I379 VanDerWaalsContact CD2-CD1 3.41Å; S359-I379 WeakPolarHBondContact OG-CA 3.46Å; S359-I379 PolarHBondContact OG-O 3.45Å; R377-I379 HydrophobicContact CG-CD1 3.87Å; R377-I379 HydrophobicContact CG-CG1 4.17Å
380K94.9Very high86Confident86 Ų8648.9 Ų48.937%0.37425%0.248SC..SBendtrans-13496.5-177.4-173.4178.3-179.71750110.2D27 P193 I199D27-K380 PolarHBondContact OD1-N 3.44Å; D27-K380 VanDerWaalsContact OD1-N 3.08Å; P193-K380 HydrophobicContact CB-CB 4.18Å; P193-K380 HydrophobicContact CB-CG 4.45Å; P193-K380 HydrophobicContact CG-CB 4.31Å; P193-K380 HydrophobicContact CG-CD 4.47Å; P193-K380 HydrophobicContact CG-CG 4.05Å; I199-K380 HydrophobicContact CD1-CG 4.01Å
381P93.5Very high85.6Confident2 Ų244.6 Ų44.61%0.01323%0.231CC..PPolyproline II helixtrans-63140179.624.2-30.1000111.2F191 I201 F277 I378 P383F191-P381 HydrophobicContact CD1-CG 4.02Å; F191-P381 HydrophobicContact CD2-CG 4.11Å; F191-P381 HydrophobicContact CE1-CG 3.87Å; F191-P381 HydrophobicContact CE2-CG 3.94Å; F191-P381 HydrophobicContact CG-CG 4.14Å; F191-P381 HydrophobicContact CZ-CG 3.8Å; I201-P381 HydrophobicContact CD1-CB 3.86Å; I201-P381 HydrophobicContact CD1-CG 3.65Å; F277-P381 HydrophobicContact CB-CB 3.5Å; F277-P381 HydrophobicContact CD1-CB 4.43Å; F277-P381 HydrophobicContact CD2-CB 4.01Å; F277-P381 HydrophobicContact CG-CB 3.74Å; I378-P381 HydrophobicContact CG2-CB 3.85Å; I378-P381 HydrophobicContact CG2-CG 4.24Å; P381-P383 VanDerWaalsContact O-CD 3.31Å; P381-P383 WeakPolarHBondContact O-CD 3.28Å
382V92.4Very high85.2Confident61 Ų6147.1 Ų47.137%0.3724%0.244SC..EExtended strand (participates in β ladder)trans-79.7116.8170.9-1790000108.5F277 R278 L384F277-V382 VanDerWaalsContact CA-O 3.26Å; F277-V382 WeakPolarHBondContact CA-O 3.14Å; F277-V382 WeakPolarHBondContact CB-O 3.22Å; R278-V382 HydrophobicContact CG-CB 4.07Å; R278-V382 HydrophobicContact CG-CG1 4.16Å; R278-V382 PolarHBondContact N-O 2.71Å; R278-V382 WeakPolarHBondContact O-CB 3.32Å; R278-V382 PolarHBondContact O-N 3.34Å; V382-L384 PolarHBondContact O-N 3.39Å
383P92.4Very high84.6Confident46 Ų4649.5 Ų49.530%0.29926%0.256SS..EExtended strand (participates in β ladder)trans-58.4135.5-178.9-2636.1000112.7I201 P381 T385I201-P383 HydrophobicContact CB-CG 4.34Å; I201-P383 HydrophobicContact CD1-CB 4.25Å; I201-P383 HydrophobicContact CD1-CG 4.04Å; I201-P383 HydrophobicContact CG1-CB 3.89Å; I201-P383 HydrophobicContact CG1-CG 3.94Å; P381-P383 VanDerWaalsContact O-CD 3.31Å; P381-P383 WeakPolarHBondContact O-CD 3.28Å; P383-T385 HydrophobicContact CB-CG2 4.31Å; P383-T385 PolarHBondContact O-N 3.18Å
384L86.7Confident84Confident10 Ų1052.8 Ų52.85%0.05227%0.273CS..  trans-94.289.5167.8-75.5174.4000109.7K276 F277 R278 K325 V326 V382K276-L384 HydrophobicContact CD-CB 4.14Å; K276-L384 WeakPolarHBondContact CD-O 3.24Å; K276-L384 HydrophobicContact CG-CB 3.91Å; K276-L384 HydrophobicContact CG-CD1 4.29Å; K276-L384 PolarHBondContact O-N 2.96Å; K276-L384 VanDerWaalsContact O-N 3.08Å; F277-L384 WeakPolarHBondContact O-CD1 3.28Å; R278-L384 HydrophobicContact CB-CD1 4.42Å; R278-L384 HydrophobicContact CB-CD2 3.88Å; R278-L384 HydrophobicContact CB-CG 4.17Å; R278-L384 HydrophobicContact CG-CD2 3.82Å; R278-L384 HydrophobicContact CG-CG 4.32Å; K325-L384 HydrophobicContact CD-CD1 4.47Å; K325-L384 HydrophobicContact CG-CD1 3.61Å; K325-L384 HydrophobicContact CG-CD2 4.39Å; V326-L384 WeakPolarHBondContact O-CD1 3.38Å; V382-L384 PolarHBondContact O-N 3.39Å
385T73.8Confident83.2Confident111 Ų11156.4 Ų56.468%0.68129%0.291SS*.  trans-80.1-23.1179.752.40000113.2P383P383-T385 HydrophobicContact CB-CG2 4.31Å; P383-T385 PolarHBondContact O-N 3.18Å
386N59.3Low82.1Confident117 Ų11760.7 Ų60.763%0.62631%0.313SS*.SBendtrans-122.9150.8177.3-74.8-28.8000111.1K388N386-K388 PolarHBondContact O-N 2.72Å
387N51.4Low80.9Confident111 Ų11165.8 Ų65.859%0.59434%0.34SS*.  trans-72.9-1.4174.6-77.3-12.3000113.8K276K276-N387 PolarHBondContact NZ-OD1 3.26Å
388K36.9Very low79.5Confident237 Ų23771.5 Ų71.5100%1.0337%0.369SS*.  trans-80.70176-71.2-171.8177.1-1780110.6K325 N386K325-K388 VanDerWaalsContact NZ-C 3.29Å; K325-K388 PolarHBondContact NZ-O 3.32Å; K325-K388 PolarHBondContact NZ-OXT 2.94Å; N386-K388 PolarHBondContact O-N 2.72Å

Retrieved 388 of 388 residues in 1783.8 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).