A0A096M0P4_POEFO Loading...

Secretion regulating guanine nucleotide exchange factor

AlphaFold DB , UniProt , Accession A0A096M0P4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 421 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
1M38.6Very low59.2Low232 Ų232107.5 Ų107.5100%1.14355%0.545SS*.  095.80-93.6174.8-174.300106.6T3M1-T3 PolarHBondContact O-N 2.66Å
2E34.5Very low62.3Low165 Ų165103.3 Ų103.377%0.77152%0.519SS*.  trans-70.9111.5170.8-75.8178.3163.500107.6H4E2-H4 PolarHBondContact O-N 3.1Å; E2-H4 VanDerWaalsContact O-N 3.07Å; E2-H4 IonicContact OE2-CE1 3.79Å
3T37.4Very low65.1Low129 Ų12995.4 Ų95.479%0.79148%0.479SS*.  trans-71.894.6168.746.20000107.4M1 S5M1-T3 PolarHBondContact O-N 2.66Å; T3-S5 PolarHBondContact O-N 2.9Å; T3-S5 VanDerWaalsContact O-N 3.08Å
4H42.2Very low67.5Low152 Ų15288.6 Ų88.670%0.70445%0.445SS*.  trans-70.2102.6167.3-67-47.6000108E2 R6E2-H4 PolarHBondContact O-N 3.1Å; E2-H4 VanDerWaalsContact O-N 3.07Å; E2-H4 IonicContact OE2-CE1 3.79Å; H4-R6 PolarHBondContact O-N 3.08Å
5S50.1Low69.5Low90 Ų9082.7 Ų82.763%0.62942%0.415SS*.  trans-60.6106.8164.153.90000107.8T3 L7T3-S5 PolarHBondContact O-N 2.9Å; T3-S5 VanDerWaalsContact O-N 3.08Å; S5-L7 PolarHBondContact O-N 3.32Å
6R54.7Low71.4Confident153 Ų15378.1 Ų78.158%0.57740%0.395SS*.  trans-78.3114.9173.4-165.2175.6-175-154.8-3.1107.1H4 T8 D43H4-R6 PolarHBondContact O-N 3.08Å; R6-T8 PolarHBondContact O-N 3.03Å; R6-D43 IonicContact CZ-OD2 2.98Å; R6-D43 IonicContact NH1-OD2 2.71Å; R6-D43 PolarHBondContact NH1-OD2 2.67Å; R6-D43 VanDerWaalsContact NH2-CB 3.28Å; R6-D43 VanDerWaalsContact NH2-CG 3.29Å; R6-D43 IonicContact NH2-OD2 2.7Å; R6-D43 PolarHBondContact NH2-OD2 3.18Å
7L57.4Low72.9Confident111 Ų11173.5 Ų73.558%0.58137%0.371SS*.EExtended strand (participates in β ladder)trans-66.9112.6169-77.8158.3000107.4S5 F9S5-L7 PolarHBondContact O-N 3.32Å; L7-F9 HydrophobicContact CB-CZ 4.49Å
8T71.1Confident74.3Confident40 Ų4073.3 Ų73.325%0.24538%0.378CS..EExtended strand (participates in β ladder)trans-97.7138.1170.235.50000108.6R6 V386R6-T8 PolarHBondContact O-N 3.03Å; T8-V386 PolarHBondContact N-O 3.44Å; T8-V386 PolarHBondContact O-N 2.72Å; T8-V386 PolarHBondContact OG1-O 2.94Å
9F81.3Confident75.6Confident74 Ų7474.7 Ų74.733%0.32538%0.379SS..EExtended strand (participates in β ladder)trans-106.6136.9178-64.9-78.3000109.8L7 T45 V371 V383 C384L7-F9 HydrophobicContact CB-CZ 4.49Å; F9-T45 HydrophobicContact CE2-CG2 4.28Å; F9-V371 HydrophobicContact CD1-CG2 3.9Å; F9-V371 HydrophobicContact CE1-CG1 4.49Å; F9-V371 HydrophobicContact CE1-CG2 3.8Å; F9-V383 HydrophobicContact CB-CG1 3.84Å; F9-V383 HydrophobicContact CD1-CG1 4.11Å; F9-V383 HydrophobicContact CG-CG1 4.31Å; F9-C384 WeakPolarHBondContact CA-O 3.37Å
10C89.8Confident76.7Confident29 Ų2971 Ų7120%0.19636%0.36CS..EExtended strand (participates in β ladder)trans-117.9136.5176.2-68.60000109.8Y12 L35 V383 C384 V386C10-Y12 HydrophobicContact CB-CD2 4.33Å; C10-Y12 HydrophobicContact CB-CE2 3.76Å; C10-L35 HydrophobicContact CB-CD1 3.72Å; C10-V383 CarbonylContact O-C 3.52Å; C10-V383 WeakPolarHBondContact O-CA 3.49Å; C10-C384 PolarHBondContact N-O 3.45Å; C10-C384 PolarHBondContact O-N 2.97Å; C10-V386 HydrophobicContact CB-CG2 4.23Å; C10-V386 VanDerWaalsContact SG-CG2 3.56Å
11L94.4Very high77.7Confident7 Ų767.8 Ų67.84%0.03734%0.344CS..EExtended strand (participates in β ladder)trans-92.1117.5172.517863.4000109.2S36 V49 V58 L87 M381 V383L11-S36 PolarHBondContact O-N 2.79Å; L11-V49 HydrophobicContact CD1-CG1 4.15Å; L11-V58 HydrophobicContact CD2-CG2 3.98Å; L11-L87 HydrophobicContact CD2-CD1 4.1Å; L11-M381 HydrophobicContact CD1-CB 4.3Å; L11-V383 HydrophobicContact CD1-CG2 4.09Å
12Y96.5Very high80.6Confident57 Ų5756.9 Ų56.922%0.22429%0.29CS..EExtended strand (participates in β ladder)trans-101.2137.5168.2-68.3-96.3000109.1C10 P33 W34 L35 L368 M381 A382 C384C10-Y12 HydrophobicContact CB-CD2 4.33Å; C10-Y12 HydrophobicContact CB-CE2 3.76Å; Y12-P33 HydrophobicContact CD1-CB 4.21Å; Y12-W34 CarbonylContact C-O 3.54Å; Y12-W34 VanDerWaalsContact CA-O 3.31Å; Y12-W34 WeakPolarHBondContact CA-O 3.18Å; Y12-L35 HydrophobicContact CE1-CB 4.46Å; Y12-L368 HydrophobicContact CD1-CD2 4.15Å; Y12-L368 HydrophobicContact CD2-CD2 4.06Å; Y12-L368 HydrophobicContact CE1-CD2 4.07Å; Y12-L368 HydrophobicContact CE2-CD2 3.98Å; Y12-L368 HydrophobicContact CG-CD2 4.15Å; Y12-M381 CarbonylContact O-C 3.5Å; Y12-M381 VanDerWaalsContact O-CA 3.29Å; Y12-M381 WeakPolarHBondContact O-CA 3.4Å; Y12-A382 PolarHBondContact N-O 3.22Å; Y12-A382 PolarHBondContact O-N 3.02Å; Y12-C384 HydrophobicContact CD2-CB 4.09Å; Y12-C384 HydrophobicContact CE2-CB 3.98Å
13A98Very high83.6Confident1 Ų149.1 Ų49.11%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-137.9145175.600000110.7L22 Q24 W34 S36 S380 M381A13-L22 HydrophobicContact CB-CB 4.01Å; A13-L22 HydrophobicContact CB-CD2 3.87Å; A13-L22 HydrophobicContact CB-CG 4.45Å; A13-Q24 PolarHBondContact O-NE2 2.72Å; A13-W34 PolarHBondContact N-O 3.48Å; A13-W34 PolarHBondContact O-N 3.06Å; A13-W34 VanDerWaalsContact O-N 3.16Å; A13-S36 WeakPolarHBondContact CB-OG 3.3Å; A13-S380 VanDerWaalsContact CA-O 3.28Å; A13-S380 WeakPolarHBondContact CA-O 3.46Å; A13-M381 HydrophobicContact CB-CG 4.02Å
14W98.6Very high86.4Confident0 Ų043.4 Ų43.40%022%0.218CC..EExtended strand (participates in β ladder)trans-154.9169.3179.264.794.9000111.9Q30 V32 P33 L333 L340 M350 V365 H379 S380 A382W14-Q30 HydrophobicContact CB-CB 4.21Å; W14-Q30 WeakPolarHBondContact CB-O 3.42Å; W14-V32 VanDerWaalsContact CB-O 3.27Å; W14-V32 WeakPolarHBondContact CB-O 3.47Å; W14-P33 HydrophobicContact CD2-CB 4.14Å; W14-P33 HydrophobicContact CD2-CG 3.89Å; W14-P33 HydrophobicContact CE3-CB 3.63Å; W14-P33 HydrophobicContact CE3-CG 3.81Å; W14-P33 HydrophobicContact CG-CG 4.44Å; W14-P33 HydrophobicContact CZ3-CB 4.04Å; W14-P33 HydrophobicContact CZ3-CG 4.15Å; W14-L333 HydrophobicContact CH2-CD1 4.21Å; W14-L333 HydrophobicContact CZ2-CD1 4.11Å; W14-L333 HydrophobicContact CZ2-CD2 3.91Å; W14-L340 HydrophobicContact CH2-CD2 3.65Å; W14-L340 HydrophobicContact CZ2-CD2 4.06Å; W14-M350 PolarHBondContact NE1-O 3.07Å; W14-V365 HydrophobicContact CZ2-CG1 4.33Å; W14-H379 CarbonylContact O-C 3.57Å; W14-H379 VanDerWaalsContact O-CA 3.29Å; W14-H379 WeakPolarHBondContact O-CA 3.38Å; W14-H379 VanDerWaalsContact O-CB 3.31Å; W14-H379 WeakPolarHBondContact O-CB 3.37Å; W14-S380 PolarHBondContact N-O 2.85Å; W14-S380 VanDerWaalsContact NE1-CB 3.34Å; W14-S380 PolarHBondContact O-N 3.19Å; W14-A382 HydrophobicContact CH2-CB 3.92Å; W14-A382 HydrophobicContact CZ3-CB 3.92Å
15G98.6Very high88.9Confident0 Ų040 Ų400%021%0.211CC..EExtended strand (participates in β ladder)trans102.9-150.5-173.200000112.5D29 Q30 H348G15-D29 WeakPolarHBondContact O-CA 3.32Å; G15-Q30 WeakPolarHBondContact CA-O 3.28Å; G15-Q30 PolarHBondContact N-O 2.98Å; G15-Q30 PolarHBondContact O-N 3.22Å; G15-H348 CarbonylContact C-O 3.17Å; G15-H348 VanDerWaalsContact C-O 3.28Å; G15-H348 VanDerWaalsContact CA-O 3.25Å; G15-H348 WeakPolarHBondContact CA-O 3.44Å
16A98.6Very high91.1Very high10 Ų1038.2 Ų38.28%0.08319%0.193CC..  trans-63135.9179.400000111.7Q21 D29 H348 G378A16-Q21 VanDerWaalsContact C-NE2 3.3Å; A16-Q21 WeakPolarHBondContact O-CG 3.35Å; A16-Q21 PolarHBondContact O-NE2 2.83Å; A16-D29 WeakPolarHBondContact CA-OD1 3.36Å; A16-H348 HydrophobicContact CB-CB 3.8Å; A16-G378 VanDerWaalsContact CB-O 3.27Å; A16-G378 WeakPolarHBondContact CB-O 3.16Å; A16-G378 PolarHBondContact N-O 2.81Å
17N98.5Very high93.2Very high0 Ų034.6 Ų34.60%019%0.188CC..  trans-138.713.8-176.5-164.229.5000114.4Y19 G20 Q21 L22 H26 V27 D28 D29N17-Y19 PolarHBondContact O-N 3.21Å; N17-G20 PolarHBondContact O-N 3.46Å; N17-G20 WeakPolarHBondContact OD1-CA 3.29Å; N17-Q21 VanDerWaalsContact CA-CD 3.43Å; N17-Q21 PolarHBondContact O-OE1 2.93Å; N17-Q21 PolarHBondContact OD1-N 3.39Å; N17-L22 HydrophobicContact CB-CB 4.46Å; N17-L22 HydrophobicContact CB-CD1 3.59Å; N17-L22 HydrophobicContact CB-CG 3.65Å; N17-L22 VanDerWaalsContact CG-CG 3.46Å; N17-L22 WeakPolarHBondContact OD1-CB 3.36Å; N17-L22 WeakPolarHBondContact OD1-CG 3.18Å; N17-L22 PolarHBondContact OD1-N 2.52Å; N17-H26 PolarHBondContact ND2-ND1 2.93Å; N17-H26 PolarHBondContact ND2-O 2.92Å; N17-V27 CarbonylContact C-O 3.57Å; N17-V27 CarbonylContact O-C 3.41Å; N17-V27 VanDerWaalsContact O-C 3.3Å; N17-V27 WeakPolarHBondContact O-CA 3.27Å; N17-V27 WeakPolarHBondContact O-CB 3.18Å; N17-D28 WeakPolarHBondContact CB-O 3.42Å; N17-D28 PolarHBondContact ND2-O 2.92Å; N17-D29 PolarHBondContact N-OD1 2.89Å
18S98Very high95.1Very high70 Ų7034.3 Ų34.349%0.4919%0.187SC..THydrogen-bonded Turntrans-57.4-13.1-173.1-42.70000115.6
19Y98.1Very high96.4Very high100 Ų10034.7 Ų34.739%0.39219%0.187SC..THydrogen-bonded Turntrans-117.65.8176.8-53.7-72.3000113.6N17 G69 Q70N17-Y19 PolarHBondContact O-N 3.21Å; Y19-G69 CarbonylContact O-C 3.24Å; Y19-G69 VanDerWaalsContact O-C 3.24Å; Y19-G69 WeakPolarHBondContact O-CA 3.47Å; Y19-Q70 HydrophobicContact CD1-CB 4.12Å; Y19-Q70 HydrophobicContact CD1-CG 3.87Å; Y19-Q70 HydrophobicContact CD2-CB 4.12Å; Y19-Q70 HydrophobicContact CD2-CG 4.37Å; Y19-Q70 HydrophobicContact CE1-CG 4.29Å; Y19-Q70 VanDerWaalsContact CE1-NE2 3.32Å; Y19-Q70 HydrophobicContact CG-CB 3.69Å; Y19-Q70 HydrophobicContact CG-CG 3.93Å; Y19-Q70 VanDerWaalsContact CZ-NE2 3.27Å
20G98.1Very high97.2Very high0 Ų032.7 Ų32.70%018%0.179CC..SBendtrans81.617.7-176.800000114.4N17 L22 G23N17-G20 PolarHBondContact O-N 3.46Å; N17-G20 WeakPolarHBondContact OD1-CA 3.29Å; G20-L22 PolarHBondContact O-N 3.32Å; G20-L22 VanDerWaalsContact O-N 3.13Å; G20-G23 PolarHBondContact O-N 3.26Å
21Q98.3Very high97.5Very high4 Ų432.8 Ų32.82%0.01918%0.18CC..THydrogen-bonded Turntrans-62.6-15.3-179.259.9-95.845.200114.4A16 N17 G23 G54 S56 C68A16-Q21 VanDerWaalsContact C-NE2 3.3Å; A16-Q21 WeakPolarHBondContact O-CG 3.35Å; A16-Q21 PolarHBondContact O-NE2 2.83Å; N17-Q21 VanDerWaalsContact CA-CD 3.43Å; N17-Q21 PolarHBondContact O-OE1 2.93Å; N17-Q21 PolarHBondContact OD1-N 3.39Å; Q21-G23 VanDerWaalsContact C-N 3.3Å; Q21-G54 WeakPolarHBondContact CB-O 3.42Å; Q21-S56 WeakPolarHBondContact O-CB 3.44Å; Q21-S56 PolarHBondContact O-OG 2.89Å; Q21-C68 PolarHBondContact O-SG 3.16Å
22L98.4Very high97.6Very high3 Ų335.5 Ų35.52%0.01620%0.197CC..THydrogen-bonded Turntrans-80.6-11.4174.1-55.8-173.4000112.9A13 N17 G20 Q24 Q30 S36 H379A13-L22 HydrophobicContact CB-CB 4.01Å; A13-L22 HydrophobicContact CB-CD2 3.87Å; A13-L22 HydrophobicContact CB-CG 4.45Å; N17-L22 HydrophobicContact CB-CB 4.46Å; N17-L22 HydrophobicContact CB-CD1 3.59Å; N17-L22 HydrophobicContact CB-CG 3.65Å; N17-L22 VanDerWaalsContact CG-CG 3.46Å; N17-L22 WeakPolarHBondContact OD1-CB 3.36Å; N17-L22 WeakPolarHBondContact OD1-CG 3.18Å; N17-L22 PolarHBondContact OD1-N 2.52Å; G20-L22 PolarHBondContact O-N 3.32Å; G20-L22 VanDerWaalsContact O-N 3.13Å; L22-Q24 HydrophobicContact CB-CG 4Å; L22-Q24 PolarHBondContact O-N 3.32Å; L22-Q30 HydrophobicContact CD1-CB 3.86Å; L22-Q30 HydrophobicContact CD1-CG 3.64Å; L22-S36 WeakPolarHBondContact O-CB 3.26Å; L22-S36 PolarHBondContact O-OG 3.16Å; L22-H379 HydrophobicContact CD2-CB 3.71Å
23G97.1Very high97.7Very high1 Ų133.7 Ų33.71%0.0119%0.192CC..  trans66.834.3179.100000113.4G20 Q21 D37 S85G20-G23 PolarHBondContact O-N 3.26Å; Q21-G23 VanDerWaalsContact C-N 3.3Å; G23-D37 PolarHBondContact O-N 3.06Å; G23-S85 CarbonylContact C-O 3.3Å; G23-S85 VanDerWaalsContact CA-O 3.22Å; G23-S85 WeakPolarHBondContact CA-O 3.29Å
24Q96.6Very high97.5Very high9 Ų940 Ų404%0.04222%0.216CC..SBendtrans-109.813.1-171.4-70164.6-2.100113.6A13 L22 H26 Q30 W34 S85A13-Q24 PolarHBondContact O-NE2 2.72Å; L22-Q24 HydrophobicContact CB-CG 4Å; L22-Q24 PolarHBondContact O-N 3.32Å; Q24-H26 WeakPolarHBondContact CB-NE2 3.13Å; Q24-H26 PolarHBondContact O-CD2 3.12Å; Q24-H26 PolarHBondContact O-N 2.96Å; Q24-H26 VanDerWaalsContact O-N 3.1Å; Q24-H26 PolarHBondContact OE1-CE1 3.3Å; Q24-H26 VanDerWaalsContact OE1-CE1 3.29Å; Q24-Q30 VanDerWaalsContact OE1-CG 3.29Å; Q24-W34 PolarHBondContact NE2-O 3.46Å; Q24-S85 PolarHBondContact N-O 2.7Å; Q24-S85 VanDerWaalsContact N-O 3.15Å
25S95.9Very high97.2Very high81 Ų8144 Ų4457%0.56624%0.236SC*.SBendtrans66.8-3.6-176.876.30000116.4S85S25-S85 PolarHBondContact N-O 3.06Å
26H95.9Very high96.8Very high53 Ų5344.1 Ų44.125%0.24524%0.237CC..SBendtrans-125.7175.7171.261.876.6000111.1N17 Q24 D28 Q30N17-H26 PolarHBondContact ND2-ND1 2.93Å; N17-H26 PolarHBondContact ND2-O 2.92Å; Q24-H26 WeakPolarHBondContact CB-NE2 3.13Å; Q24-H26 PolarHBondContact O-CD2 3.12Å; Q24-H26 PolarHBondContact O-N 2.96Å; Q24-H26 VanDerWaalsContact O-N 3.1Å; Q24-H26 PolarHBondContact OE1-CE1 3.3Å; Q24-H26 VanDerWaalsContact OE1-CE1 3.29Å; H26-D28 PolarHBondContact ND1-N 3.16Å; H26-Q30 PolarHBondContact CE1-NE2 2.81Å; H26-Q30 VanDerWaalsContact CE1-NE2 3.35Å
27V97.6Very high96.2Very high76 Ų7646.7 Ų46.746%0.46125%0.249SC..  trans-117.69.2-176.1-61.70000114.1N17N17-V27 CarbonylContact C-O 3.57Å; N17-V27 CarbonylContact O-C 3.41Å; N17-V27 VanDerWaalsContact O-C 3.3Å; N17-V27 WeakPolarHBondContact O-CA 3.27Å; N17-V27 WeakPolarHBondContact O-CB 3.18Å
28D97.6Very high95.4Very high105 Ų10548.3 Ų48.356%0.56126%0.261SS*.  trans-78.5133.7177-56.1-55.2000112N17 H26 Q30N17-D28 WeakPolarHBondContact CB-O 3.42Å; N17-D28 PolarHBondContact ND2-O 2.92Å; H26-D28 PolarHBondContact ND1-N 3.16Å; D28-Q30 PolarHBondContact O-NE2 3.01Å
29D98Very high94.8Very high48 Ų4848.8 Ų48.826%0.25726%0.264SS..  trans-57.2146.7174.1-68.80.3000110.9G15 A16 N17 H348G15-D29 WeakPolarHBondContact O-CA 3.32Å; A16-D29 WeakPolarHBondContact CA-OD1 3.36Å; N17-D29 PolarHBondContact N-OD1 2.89Å; D29-H348 IonicContact OD2-CE1 3.7Å; D29-H348 IonicContact OD2-CG 3.58Å; D29-H348 IonicContact OD2-ND1 3.45Å; D29-H348 PolarHBondContact OD2-ND1 3.15Å
30Q97.7Very high94.1Very high32 Ų3245.2 Ų45.215%0.1526%0.255CS..EExtended strand (participates in β ladder)trans-121.5118.7-179.9-63.7-58.2-50.200110.2W14 G15 L22 Q24 H26 D28 V32 W34W14-Q30 HydrophobicContact CB-CB 4.21Å; W14-Q30 WeakPolarHBondContact CB-O 3.42Å; G15-Q30 WeakPolarHBondContact CA-O 3.28Å; G15-Q30 PolarHBondContact N-O 2.98Å; G15-Q30 PolarHBondContact O-N 3.22Å; L22-Q30 HydrophobicContact CD1-CB 3.86Å; L22-Q30 HydrophobicContact CD1-CG 3.64Å; Q24-Q30 VanDerWaalsContact OE1-CG 3.29Å; H26-Q30 PolarHBondContact CE1-NE2 2.81Å; H26-Q30 VanDerWaalsContact CE1-NE2 3.35Å; D28-Q30 PolarHBondContact O-NE2 3.01Å; Q30-V32 VanDerWaalsContact C-N 3.3Å; Q30-W34 HydrophobicContact CG-CB 4.26Å
31C97.2Very high93.5Very high32 Ų3245.7 Ų45.722%0.21626%0.258CS..EExtended strand (participates in β ladder)trans-86.9-1178.5-60.70000113.7G352 D353 G354C31-G352 CarbonylContact O-C 3.56Å; C31-G352 VanDerWaalsContact O-CA 3.23Å; C31-G352 WeakPolarHBondContact O-CA 3.38Å; C31-D353 PolarHBondContact O-N 2.68Å; C31-G354 VanDerWaalsContact O-CA 3.31Å; C31-G354 WeakPolarHBondContact O-CA 3.33Å; C31-G354 PolarHBondContact O-N 3.3Å
32V97.1Very high92.6Very high64 Ų6452.2 Ų52.239%0.38829%0.288SS..EExtended strand (participates in β ladder)trans-133.5151176.8-64.20000109.3W14 Q30 W34W14-V32 VanDerWaalsContact CB-O 3.27Å; W14-V32 WeakPolarHBondContact CB-O 3.47Å; Q30-V32 VanDerWaalsContact C-N 3.3Å; V32-W34 PolarHBondContact O-N 3.47Å; V32-W34 VanDerWaalsContact O-N 3.13Å
33P97Very high91.6Very high19 Ų1957.1 Ų57.112%0.12331%0.314CS..EExtended strand (participates in β ladder)trans-53.6120.2173.6-25.733.5000111.8Y12 W14 G352 V365 L368Y12-P33 HydrophobicContact CD1-CB 4.21Å; W14-P33 HydrophobicContact CD2-CB 4.14Å; W14-P33 HydrophobicContact CD2-CG 3.89Å; W14-P33 HydrophobicContact CE3-CB 3.63Å; W14-P33 HydrophobicContact CE3-CG 3.81Å; W14-P33 HydrophobicContact CG-CG 4.44Å; W14-P33 HydrophobicContact CZ3-CB 4.04Å; W14-P33 HydrophobicContact CZ3-CG 4.15Å; P33-G352 WeakPolarHBondContact CD-O 3.33Å; P33-V365 HydrophobicContact CG-CG1 3.46Å; P33-V365 VanDerWaalsContact CG-CG1 3.46Å; P33-L368 HydrophobicContact CB-CD1 3.7Å; P33-L368 HydrophobicContact CG-CD1 3.82Å
34W94.9Very high91.2Very high134 Ų13460.4 Ų60.451%0.50833%0.327SS..EExtended strand (participates in β ladder)trans-123143.8-179.9-168.1-79.6000110.7Y12 A13 Q24 Q30 V32 S36Y12-W34 CarbonylContact C-O 3.54Å; Y12-W34 VanDerWaalsContact CA-O 3.31Å; Y12-W34 WeakPolarHBondContact CA-O 3.18Å; A13-W34 PolarHBondContact N-O 3.48Å; A13-W34 PolarHBondContact O-N 3.06Å; A13-W34 VanDerWaalsContact O-N 3.16Å; Q24-W34 PolarHBondContact NE2-O 3.46Å; Q30-W34 HydrophobicContact CG-CB 4.26Å; V32-W34 PolarHBondContact O-N 3.47Å; V32-W34 VanDerWaalsContact O-N 3.13Å; W34-S36 PolarHBondContact O-N 3.27Å
35L93Very high90.9Very high83 Ų8363.2 Ų63.244%0.43534%0.344SS..EExtended strand (participates in β ladder)trans-68121.9-176.9-17668000110.6C10 Y12C10-L35 HydrophobicContact CB-CD1 3.72Å; Y12-L35 HydrophobicContact CE1-CB 4.46Å
36S89.4Confident90.8Very high3 Ų360.2 Ų60.22%0.02132%0.323CS..  trans-75.2151.9172.2-59.80000111.5L11 A13 L22 W34 S38L11-S36 PolarHBondContact O-N 2.79Å; A13-S36 WeakPolarHBondContact CB-OG 3.3Å; L22-S36 WeakPolarHBondContact O-CB 3.26Å; L22-S36 PolarHBondContact O-OG 3.16Å; W34-S36 PolarHBondContact O-N 3.27Å; S36-S38 PolarHBondContact O-N 3.49Å
37D86.7Confident90.8Very high63 Ų6362.7 Ų62.734%0.33733%0.33SS..  trans-69.397.7170.2-176.60.9000109.3G23 S39G23-D37 PolarHBondContact O-N 3.06Å; D37-S39 WeakPolarHBondContact OD1-CB 3.28Å; D37-S39 PolarHBondContact OD1-N 3.41Å; D37-S39 PolarHBondContact OD1-OG 3.24Å
38S81.4Confident90.7Very high34 Ų3460.5 Ų60.524%0.23832%0.317CS..  trans-99.213.7-179.645.60000112.4S36 A40 L41S36-S38 PolarHBondContact O-N 3.49Å; S38-A40 PolarHBondContact O-N 2.73Å; S38-L41 WeakPolarHBondContact O-CB 3.24Å; S38-L41 PolarHBondContact O-N 3.4Å
39S84.9Confident90.8Very high81 Ų8155.8 Ų55.857%0.56629%0.292SS*.G310 helixtrans-54.8-3617759.90000112.3D37 L41 Q42D37-S39 WeakPolarHBondContact OD1-CB 3.28Å; D37-S39 PolarHBondContact OD1-N 3.41Å; D37-S39 PolarHBondContact OD1-OG 3.24Å; S39-L41 VanDerWaalsContact C-N 3.25Å; S39-L41 PolarHBondContact O-N 3.35Å; S39-Q42 VanDerWaalsContact O-CG 3.22Å; S39-Q42 WeakPolarHBondContact O-CG 3.21Å; S39-Q42 PolarHBondContact O-N 3.07Å
40A83.4Confident90.8Very high25 Ų2555.3 Ų55.321%0.20729%0.289CS..G310 helixtrans-62.4-28.5175.500000113.6S38 F66 L87S38-A40 PolarHBondContact O-N 2.73Å; A40-F66 HydrophobicContact CB-CD1 4.04Å; A40-F66 HydrophobicContact CB-CE1 4.05Å; A40-F66 WeakPolarHBondContact O-CE1 3.27Å; A40-L87 HydrophobicContact CB-CB 4.08Å; A40-L87 WeakPolarHBondContact CB-O 3.02Å
41L84.8Confident90.8Very high10 Ų1054 Ų545%0.05229%0.285CS..G310 helixtrans-74.5-26.4-179.9-60.6178.2000112S38 S39 D43 R44 V46 V58 T60 F66 L87S38-L41 WeakPolarHBondContact O-CB 3.24Å; S38-L41 PolarHBondContact O-N 3.4Å; S39-L41 VanDerWaalsContact C-N 3.25Å; S39-L41 PolarHBondContact O-N 3.35Å; L41-D43 PolarHBondContact O-N 3.28Å; L41-R44 WeakPolarHBondContact O-CB 3.27Å; L41-R44 VanDerWaalsContact O-CD 3.26Å; L41-R44 WeakPolarHBondContact O-CD 3.25Å; L41-R44 WeakPolarHBondContact O-CG 3.49Å; L41-R44 PolarHBondContact O-N 2.88Å; L41-R44 PolarHBondContact O-NH1 3.25Å; L41-R44 VanDerWaalsContact O-NH1 3.09Å; L41-V46 HydrophobicContact CD1-CG2 4.01Å; L41-V58 HydrophobicContact CD1-CG1 4.39Å; L41-V58 HydrophobicContact CD2-CG1 4.19Å; L41-T60 HydrophobicContact CD2-CG2 4.3Å; L41-F66 HydrophobicContact CD2-CB 4.23Å; L41-F66 HydrophobicContact CD2-CD1 4.1Å; L41-F66 HydrophobicContact CD2-CD2 3.44Å; L41-F66 VanDerWaalsContact CD2-CD2 3.44Å; L41-F66 HydrophobicContact CD2-CE1 4.32Å; L41-F66 HydrophobicContact CD2-CE2 3.72Å; L41-F66 HydrophobicContact CD2-CG 3.65Å; L41-F66 HydrophobicContact CD2-CZ 4.14Å; L41-L87 HydrophobicContact CD1-CD1 4.25Å; L41-L87 HydrophobicContact CD2-CD1 4.48Å; L41-L87 HydrophobicContact CG-CD1 4.19Å
42Q80.6Confident90.9Very high141 Ų14152.7 Ų52.766%0.65928%0.276SS*.THydrogen-bonded Turntrans44.654.4177-51.8173.30.900113.4S39 R44S39-Q42 VanDerWaalsContact O-CG 3.22Å; S39-Q42 WeakPolarHBondContact O-CG 3.21Å; S39-Q42 PolarHBondContact O-N 3.07Å; Q42-R44 VanDerWaalsContact C-N 3.29Å; Q42-R44 PolarHBondContact O-N 2.76Å
43D77.3Confident90.9Very high105 Ų10550.2 Ų50.256%0.56126%0.263SS*.THydrogen-bonded Turntrans6810.2-177.5-53.2-36.1000116.8R6 L41R6-D43 IonicContact CZ-OD2 2.98Å; R6-D43 IonicContact NH1-OD2 2.71Å; R6-D43 PolarHBondContact NH1-OD2 2.67Å; R6-D43 VanDerWaalsContact NH2-CB 3.28Å; R6-D43 VanDerWaalsContact NH2-CG 3.29Å; R6-D43 IonicContact NH2-OD2 2.7Å; R6-D43 PolarHBondContact NH2-OD2 3.18Å; L41-D43 PolarHBondContact O-N 3.28Å
44R87.6Confident91Very high71 Ų7149.3 Ų49.327%0.26826%0.257SS..PPolyproline II helixtrans-63.8137.7173.4-72.3167.5178.481.6-8.5111.7L41 Q42 T60 E64L41-R44 WeakPolarHBondContact O-CB 3.27Å; L41-R44 VanDerWaalsContact O-CD 3.26Å; L41-R44 WeakPolarHBondContact O-CD 3.25Å; L41-R44 WeakPolarHBondContact O-CG 3.49Å; L41-R44 PolarHBondContact O-N 2.88Å; L41-R44 PolarHBondContact O-NH1 3.25Å; L41-R44 VanDerWaalsContact O-NH1 3.09Å; Q42-R44 VanDerWaalsContact C-N 3.29Å; Q42-R44 PolarHBondContact O-N 2.76Å; R44-T60 HydrophobicContact CB-CG2 3.85Å; R44-E64 WeakPolarHBondContact CD-OE2 3.42Å; R44-E64 IonicContact CZ-OE1 2.73Å; R44-E64 IonicContact CZ-OE2 3.02Å; R44-E64 IonicContact NE-OE1 2.8Å; R44-E64 PolarHBondContact NE-OE1 2.86Å; R44-E64 IonicContact NE-OE2 3.31Å; R44-E64 PolarHBondContact NE-OE2 2.83Å; R44-E64 IonicContact NH2-OE1 3.73Å; R44-E64 PolarHBondContact NH2-OE1 3.23Å; R44-E64 IonicContact NH2-OE2 3.73Å
45T90.4Very high91.2Very high67 Ų6742.9 Ų42.941%0.41123%0.233SC..PPolyproline II helixtrans-71.9128.5172.5-52.10000110.2F9 T60 E61F9-T45 HydrophobicContact CE2-CG2 4.28Å; T45-T60 CarbonylContact O-C 3.53Å; T45-T60 VanDerWaalsContact O-CA 3.24Å; T45-T60 WeakPolarHBondContact O-CA 3.39Å; T45-T60 WeakPolarHBondContact O-CB 3.47Å; T45-E61 HydrophobicContact CG2-CG 3.8Å; T45-E61 PolarHBondContact O-N 3.27Å
46V94Very high91.4Very high18 Ų1839 Ų3911%0.10921%0.213CC..EExtended strand (participates in β ladder)trans-86132.4176.9-178.10000110L41 V49 V58 L372 V383L41-V46 HydrophobicContact CD1-CG2 4.01Å; V46-V49 HydrophobicContact CG1-CG1 3.83Å; V46-V58 HydrophobicContact CB-CG1 4.36Å; V46-V58 HydrophobicContact CG1-CG1 3.6Å; V46-V58 HydrophobicContact CG2-CG1 3.81Å; V46-L372 HydrophobicContact CG1-CD2 3.82Å; V46-V383 HydrophobicContact CB-CG1 4.38Å; V46-V383 HydrophobicContact CB-CG2 4.03Å; V46-V383 HydrophobicContact CG1-CG2 3.84Å; V46-V383 HydrophobicContact CG2-CG2 4.41Å
47R95.3Very high91.9Very high105 Ų10538.9 Ų38.940%0.39621%0.212SC..EExtended strand (participates in β ladder)trans-102.8-43.7-179.9-175.4-174.7176.284.13.9112.4L59 E61 L372R47-L59 PolarHBondContact N-O 3.25Å; R47-E61 HydrophobicContact CB-CG 4.08Å; R47-E61 WeakPolarHBondContact CD-OE2 3.48Å; R47-E61 WeakPolarHBondContact CG-OE1 3.41Å; R47-E61 IonicContact CZ-OE2 2.76Å; R47-E61 IonicContact NH1-OE1 3.7Å; R47-E61 IonicContact NH1-OE2 2.85Å; R47-E61 PolarHBondContact NH1-OE2 3.34Å; R47-L372 WeakPolarHBondContact O-CD2 3.48Å
48V97.4Very high92.4Very high31 Ų3136 Ų3619%0.18820%0.196CC..EExtended strand (participates in β ladder)trans-138.3141.9179.7-175.90000109.5D50 L59 V100V48-D50 HydrophobicContact CG1-CB 4.5Å; V48-L59 HydrophobicContact CB-CB 3.95Å; V48-L59 HydrophobicContact CB-CD2 4.24Å; V48-L59 HydrophobicContact CG2-CD2 4Å; V48-L59 PolarHBondContact N-O 2.69Å; V48-L59 VanDerWaalsContact N-O 3.11Å; V48-L59 PolarHBondContact O-N 2.88Å; V48-V100 HydrophobicContact CB-CG2 4.41Å; V48-V100 HydrophobicContact CG1-CG2 3.79Å
49V98.1Very high93.2Very high6 Ų634.3 Ų34.34%0.03619%0.185CC..EExtended strand (participates in β ladder)trans-124.3129.8163.8-73.50000107.9L11 V46 V57 V58 L372 G374 M381 V383L11-V49 HydrophobicContact CD1-CG1 4.15Å; V46-V49 HydrophobicContact CG1-CG1 3.83Å; V49-V57 WeakPolarHBondContact CA-O 3.45Å; V49-V58 HydrophobicContact CG1-CG1 4.23Å; V49-V58 HydrophobicContact CG1-CG2 4.21Å; V49-L372 HydrophobicContact CG1-CD2 4.41Å; V49-L372 HydrophobicContact CG2-CD2 3.97Å; V49-L372 HydrophobicContact CG2-CG 3.99Å; V49-G374 WeakPolarHBondContact O-CA 3.33Å; V49-M381 HydrophobicContact CB-CB 4.45Å; V49-M381 HydrophobicContact CB-SD 4.44Å; V49-M381 HydrophobicContact CG2-CB 4.38Å; V49-V383 HydrophobicContact CG1-CG2 3.95Å
50D98.6Very high93.8Very high37 Ų3730.5 Ų30.520%0.19816%0.158CC..EExtended strand (participates in β ladder)trans-147.2160-178.9-169.930000109.8V48 V57 V100 A101 C102V48-D50 HydrophobicContact CG1-CB 4.5Å; D50-V57 PolarHBondContact N-O 3.21Å; D50-V57 PolarHBondContact O-N 3.25Å; D50-V100 HydrophobicContact CB-CG2 3.74Å; D50-A101 VanDerWaalsContact OD2-CA 3.26Å; D50-A101 WeakPolarHBondContact OD2-CA 3.21Å; D50-C102 PolarHBondContact OD2-N 3.24Å; D50-C102 PolarHBondContact OD2-SG 3.02Å
51G98.2Very high94.3Very high6 Ų633.1 Ų33.16%0.06217%0.166CC..EExtended strand (participates in β ladder)trans-150.1150.3-176.500000113.7H55 C102 C375 G376G51-H55 CarbonylContact C-O 2.98Å; G51-H55 WeakPolarHBondContact CA-O 3.37Å; G51-C102 WeakPolarHBondContact O-CB 3.46Å; G51-C375 PolarHBondContact N-O 3.33Å; G51-G376 VanDerWaalsContact C-CA 3.43Å; G51-G376 VanDerWaalsContact O-CA 3.31Å; G51-G376 WeakPolarHBondContact O-CA 3.4Å
52G98.4Very high94.7Very high3 Ų335.4 Ų35.43%0.03118%0.183CC..  trans-97.6-153.917400000113.3G54 H55 G103 A377G52-G54 VanDerWaalsContact C-N 3.31Å; G52-G54 PolarHBondContact O-N 2.82Å; G52-H55 VanDerWaalsContact CA-CE1 3.48Å; G52-H55 WeakPolarHBondContact CA-CE1 3.31Å; G52-H55 PolarHBondContact N-O 2.81Å; G52-G103 WeakPolarHBondContact CA-O 3.35Å; G52-A377 PolarHBondContact O-N 2.9Å
53G98.2Very high95.4Very high12 Ų1228.9 Ų28.912%0.12415%0.154CC..SBendtrans-59.1-40.8178.500000113.6G103 W104G53-G103 PolarHBondContact N-O 3.2Å; G53-W104 VanDerWaalsContact CA-CZ3 3.49Å; G53-W104 VanDerWaalsContact CA-O 3.3Å; G53-W104 WeakPolarHBondContact CA-O 3.27Å; G53-W104 PolarHBondContact N-O 2.85Å
54G98.3Very high96.3Very high0 Ų026.4 Ų26.40%014%0.139CC..SBendtrans-150.425.5-177.700000113.3Q21 G52 G69 Q70Q21-G54 WeakPolarHBondContact CB-O 3.42Å; G52-G54 VanDerWaalsContact C-N 3.31Å; G52-G54 PolarHBondContact O-N 2.82Å; G54-G69 WeakPolarHBondContact O-CA 3.14Å; G54-Q70 WeakPolarHBondContact O-CB 3.3Å; G54-Q70 PolarHBondContact O-N 2.87Å
55H98.8Very high96.8Very high0 Ų023 Ų230%013%0.126CC..EExtended strand (participates in β ladder)trans-141.2160.317768.4-80000111.1G51 G52 C68 Q75 L76 T107 H379G51-H55 CarbonylContact C-O 2.98Å; G51-H55 WeakPolarHBondContact CA-O 3.37Å; G52-H55 VanDerWaalsContact CA-CE1 3.48Å; G52-H55 WeakPolarHBondContact CA-CE1 3.31Å; G52-H55 PolarHBondContact N-O 2.81Å; H55-C68 CarbonylContact C-O 3.51Å; H55-C68 VanDerWaalsContact CA-O 3.24Å; H55-C68 WeakPolarHBondContact CA-O 3.5Å; H55-C68 WeakPolarHBondContact CB-O 3.33Å; H55-Q75 HydrophobicContact CB-CG 4.4Å; H55-L76 HydrophobicContact CB-CD2 3.53Å; H55-T107 PolarHBondContact NE2-OG1 2.71Å; H55-H379 PolarHBondContact O-CE1 2.99Å
56S98.8Very high97.2Very high2 Ų220.1 Ų20.11%0.01411%0.108CC..EExtended strand (participates in β ladder)trans-127.9149.7179.1-61.40000110.7Q21 V67 C68 H379Q21-S56 WeakPolarHBondContact O-CB 3.44Å; Q21-S56 PolarHBondContact O-OG 2.89Å; S56-V67 WeakPolarHBondContact O-CA 3.47Å; S56-C68 PolarHBondContact N-O 3.41Å; S56-C68 PolarHBondContact O-N 3.31Å; S56-C68 VanDerWaalsContact O-N 3.12Å; S56-H379 PolarHBondContact OG-NE2 2.69Å
57V98.7Very high97.4Very high0 Ų019.4 Ų19.40%010%0.103CC..EExtended strand (participates in β ladder)trans-131.2128.5178.7-174.30000108.9V49 D50 V65 F66 V67 V100 C102 T107V49-V57 WeakPolarHBondContact CA-O 3.45Å; D50-V57 PolarHBondContact N-O 3.21Å; D50-V57 PolarHBondContact O-N 3.25Å; V57-V65 HydrophobicContact CG1-CG1 3.59Å; V57-F66 CarbonylContact C-O 3.54Å; V57-F66 WeakPolarHBondContact CA-O 3.28Å; V57-V67 HydrophobicContact CG1-CG1 4.35Å; V57-V67 HydrophobicContact CG2-CG1 4.18Å; V57-V100 HydrophobicContact CG1-CB 4.27Å; V57-V100 HydrophobicContact CG1-CG1 3.98Å; V57-V100 HydrophobicContact CG1-CG2 4.22Å; V57-C102 WeakPolarHBondContact CG2-SG 3.28Å; V57-T107 HydrophobicContact CG2-CG2 4.09Å
58V98.2Very high97.6Very high1 Ų114.5 Ų14.51%0.0069%0.085CC..EExtended strand (participates in β ladder)trans-117.2114.9175.6-1760000107.8L11 L41 V46 V49 F66 L87L11-V58 HydrophobicContact CD2-CG2 3.98Å; L41-V58 HydrophobicContact CD1-CG1 4.39Å; L41-V58 HydrophobicContact CD2-CG1 4.19Å; V46-V58 HydrophobicContact CB-CG1 4.36Å; V46-V58 HydrophobicContact CG1-CG1 3.6Å; V46-V58 HydrophobicContact CG2-CG1 3.81Å; V49-V58 HydrophobicContact CG1-CG1 4.23Å; V49-V58 HydrophobicContact CG1-CG2 4.21Å; V58-F66 HydrophobicContact CB-CB 4.25Å; V58-F66 PolarHBondContact N-O 3.2Å; V58-F66 PolarHBondContact O-N 3.42Å; V58-L87 HydrophobicContact CG2-CD1 4.39Å; V58-L87 HydrophobicContact CG2-CD2 3.85Å
59L97.9Very high97.7Very high0 Ų013 Ų130%08%0.076CC..EExtended strand (participates in β ladder)trans-98.9131174.8176.462.9000109.4R47 V48 V65 V97 V100R47-L59 PolarHBondContact N-O 3.25Å; V48-L59 HydrophobicContact CB-CB 3.95Å; V48-L59 HydrophobicContact CB-CD2 4.24Å; V48-L59 HydrophobicContact CG2-CD2 4Å; V48-L59 PolarHBondContact N-O 2.69Å; V48-L59 VanDerWaalsContact N-O 3.11Å; V48-L59 PolarHBondContact O-N 2.88Å; L59-V65 HydrophobicContact CD1-CG2 3.84Å; L59-V97 HydrophobicContact CD1-CB 3.68Å; L59-V97 HydrophobicContact CD1-CG1 3.78Å; L59-V97 HydrophobicContact CD2-CG1 4.18Å; L59-V100 HydrophobicContact CB-CG1 4.39Å; L59-V100 HydrophobicContact CD2-CG1 4.41Å
60T96.1Very high97.7Very high1 Ų113.4 Ų13.41%0.0068%0.077CC..EExtended strand (participates in β ladder)trans-93.9164.7177.260.40000112.4L41 R44 T45 S62 G63 E64 F66L41-T60 HydrophobicContact CD2-CG2 4.3Å; R44-T60 HydrophobicContact CB-CG2 3.85Å; T45-T60 CarbonylContact O-C 3.53Å; T45-T60 VanDerWaalsContact O-CA 3.24Å; T45-T60 WeakPolarHBondContact O-CA 3.39Å; T45-T60 WeakPolarHBondContact O-CB 3.47Å; T60-S62 PolarHBondContact O-N 3.47Å; T60-S62 PolarHBondContact OG1-OG 3.3Å; T60-G63 WeakPolarHBondContact O-CA 3.28Å; T60-G63 PolarHBondContact O-N 2.92Å; T60-E64 PolarHBondContact N-O 3.37Å; T60-E64 WeakPolarHBondContact OG1-CA 3.49Å; T60-E64 WeakPolarHBondContact OG1-CB 3.22Å; T60-E64 PolarHBondContact OG1-N 3.44Å; T60-E64 PolarHBondContact OG1-O 3Å; T60-F66 HydrophobicContact CG2-CD2 3.97Å; T60-F66 HydrophobicContact CG2-CE2 3.7Å
61E94.1Very high97.7Very high80 Ų8011.6 Ų11.637%0.3747%0.068SC..THydrogen-bonded Turntrans-67.9-15.5173.6-71.3-67.2178.500113.4T45 R47 R96T45-E61 HydrophobicContact CG2-CG 3.8Å; T45-E61 PolarHBondContact O-N 3.27Å; R47-E61 HydrophobicContact CB-CG 4.08Å; R47-E61 WeakPolarHBondContact CD-OE2 3.48Å; R47-E61 WeakPolarHBondContact CG-OE1 3.41Å; R47-E61 IonicContact CZ-OE2 2.76Å; R47-E61 IonicContact NH1-OE1 3.7Å; R47-E61 IonicContact NH1-OE2 2.85Å; R47-E61 PolarHBondContact NH1-OE2 3.34Å; E61-R96 PolarHBondContact O-NH2 2.89Å
62S93.9Very high97.7Very high57 Ų5715.3 Ų15.340%0.3998%0.083SC..THydrogen-bonded Turntrans-80.1-9168.447.10000112.3T60 E64 R96T60-S62 PolarHBondContact O-N 3.47Å; T60-S62 PolarHBondContact OG1-OG 3.3Å; S62-E64 WeakPolarHBondContact CB-OE2 3.29Å; S62-E64 PolarHBondContact OG-OE2 2.84Å; S62-R96 WeakPolarHBondContact O-CD 3.29Å; S62-R96 WeakPolarHBondContact O-CG 3.43Å; S62-R96 PolarHBondContact O-NE 2.87Å
63G96.2Very high97.7Very high4 Ų420.2 Ų20.24%0.04110%0.101CC..  trans78.117.4-174.900000114.4T60 V97T60-G63 WeakPolarHBondContact O-CA 3.28Å; T60-G63 PolarHBondContact O-N 2.92Å; G63-V97 WeakPolarHBondContact CA-O 3.46Å; G63-V97 PolarHBondContact O-N 3.14Å
64E96.3Very high97.7Very high53 Ų5319.6 Ų19.625%0.24810%0.095CC..  trans-76.2140.6166.5-64.2162.29800109.7R44 T60 S62 F66 L89R44-E64 WeakPolarHBondContact CD-OE2 3.42Å; R44-E64 IonicContact CZ-OE1 2.73Å; R44-E64 IonicContact CZ-OE2 3.02Å; R44-E64 IonicContact NE-OE1 2.8Å; R44-E64 PolarHBondContact NE-OE1 2.86Å; R44-E64 IonicContact NE-OE2 3.31Å; R44-E64 PolarHBondContact NE-OE2 2.83Å; R44-E64 IonicContact NH2-OE1 3.73Å; R44-E64 PolarHBondContact NH2-OE1 3.23Å; R44-E64 IonicContact NH2-OE2 3.73Å; T60-E64 PolarHBondContact N-O 3.37Å; T60-E64 WeakPolarHBondContact OG1-CA 3.49Å; T60-E64 WeakPolarHBondContact OG1-CB 3.22Å; T60-E64 PolarHBondContact OG1-N 3.44Å; T60-E64 PolarHBondContact OG1-O 3Å; S62-E64 WeakPolarHBondContact CB-OE2 3.29Å; S62-E64 PolarHBondContact OG-OE2 2.84Å; E64-F66 HydrophobicContact CB-CE2 3.92Å; E64-L89 HydrophobicContact CB-CD1 4.04Å; E64-L89 HydrophobicContact CG-CD1 4.48Å
65V98Very high97.7Very high1 Ų119.6 Ų19.61%0.00610%0.095CC..EExtended strand (participates in β ladder)trans-112.7124.3-177.2177.10000109.4V57 L59 V67 C90 V92 V97 L109V57-V65 HydrophobicContact CG1-CG1 3.59Å; L59-V65 HydrophobicContact CD1-CG2 3.84Å; V65-V67 HydrophobicContact CG1-CG1 3.96Å; V65-C90 HydrophobicContact CB-CB 4.06Å; V65-C90 HydrophobicContact CG1-CB 3.99Å; V65-C90 WeakPolarHBondContact O-CB 3.29Å; V65-C90 PolarHBondContact O-N 3.21Å; V65-V92 HydrophobicContact CB-CG2 4.17Å; V65-V92 HydrophobicContact CG2-CG2 4.18Å; V65-V97 HydrophobicContact CG2-CB 3.78Å; V65-V97 HydrophobicContact CG2-CG1 3.94Å; V65-V97 HydrophobicContact CG2-CG2 3.66Å; V65-L109 HydrophobicContact CG1-CD2 4.28Å; V65-L109 HydrophobicContact CG2-CD1 4.47Å; V65-L109 HydrophobicContact CG2-CD2 4.38Å
66F98Very high97.7Very high6 Ų619.7 Ų19.73%0.02610%0.096CC..EExtended strand (participates in β ladder)trans-111.5142.2173.8-62.6-100.7000110A40 L41 V57 V58 T60 E64 L87 Q88 L89A40-F66 HydrophobicContact CB-CD1 4.04Å; A40-F66 HydrophobicContact CB-CE1 4.05Å; A40-F66 WeakPolarHBondContact O-CE1 3.27Å; L41-F66 HydrophobicContact CD2-CB 4.23Å; L41-F66 HydrophobicContact CD2-CD1 4.1Å; L41-F66 HydrophobicContact CD2-CD2 3.44Å; L41-F66 VanDerWaalsContact CD2-CD2 3.44Å; L41-F66 HydrophobicContact CD2-CE1 4.32Å; L41-F66 HydrophobicContact CD2-CE2 3.72Å; L41-F66 HydrophobicContact CD2-CG 3.65Å; L41-F66 HydrophobicContact CD2-CZ 4.14Å; V57-F66 CarbonylContact C-O 3.54Å; V57-F66 WeakPolarHBondContact CA-O 3.28Å; V58-F66 HydrophobicContact CB-CB 4.25Å; V58-F66 PolarHBondContact N-O 3.2Å; V58-F66 PolarHBondContact O-N 3.42Å; T60-F66 HydrophobicContact CG2-CD2 3.97Å; T60-F66 HydrophobicContact CG2-CE2 3.7Å; E64-F66 HydrophobicContact CB-CE2 3.92Å; F66-L87 HydrophobicContact CB-CB 4.37Å; F66-L87 HydrophobicContact CB-CD2 4.19Å; F66-Q88 CarbonylContact C-O 3.2Å; F66-Q88 VanDerWaalsContact CA-O 3.22Å; F66-Q88 WeakPolarHBondContact CA-O 3.4Å; F66-L89 HydrophobicContact CD1-CB 4.33Å; F66-L89 HydrophobicContact CE1-CB 4.12Å; F66-L89 HydrophobicContact CE1-CD1 4.19Å; F66-L89 HydrophobicContact CE2-CD1 4.27Å; F66-L89 HydrophobicContact CZ-CD1 4.03Å
67V98.7Very high97.7Very high3 Ų319.7 Ų19.72%0.01810%0.095CC..EExtended strand (participates in β ladder)trans-137.9147.9-170.3-64.60000111.2S56 V57 V65 L76 L78 Q88 C90S56-V67 WeakPolarHBondContact O-CA 3.47Å; V57-V67 HydrophobicContact CG1-CG1 4.35Å; V57-V67 HydrophobicContact CG2-CG1 4.18Å; V65-V67 HydrophobicContact CG1-CG1 3.96Å; V67-L76 HydrophobicContact CB-CB 4.12Å; V67-L76 HydrophobicContact CB-CD2 4.1Å; V67-L76 HydrophobicContact CG2-CB 3.78Å; V67-L78 HydrophobicContact CG2-CD1 4.1Å; V67-L78 HydrophobicContact CG2-CD2 3.71Å; V67-L78 HydrophobicContact CG2-CG 3.9Å; V67-Q88 WeakPolarHBondContact CG2-O 3.18Å; V67-Q88 PolarHBondContact N-O 3.32Å; V67-Q88 PolarHBondContact O-N 3.01Å; V67-C90 HydrophobicContact CG1-CB 4.25Å; V67-C90 HydrophobicContact CG2-CB 4.34Å
68C98.6Very high97.7Very high2 Ų220.7 Ų20.71%0.01410%0.101CC..EExtended strand (participates in β ladder)trans-152.1166.516963.40000111.6Q21 H55 S56 V84 T86 L87Q21-C68 PolarHBondContact O-SG 3.16Å; H55-C68 CarbonylContact C-O 3.51Å; H55-C68 VanDerWaalsContact CA-O 3.24Å; H55-C68 WeakPolarHBondContact CA-O 3.5Å; H55-C68 WeakPolarHBondContact CB-O 3.33Å; S56-C68 PolarHBondContact N-O 3.41Å; S56-C68 PolarHBondContact O-N 3.31Å; S56-C68 VanDerWaalsContact O-N 3.12Å; C68-V84 HydrophobicContact CB-CG2 4.34Å; C68-T86 WeakPolarHBondContact CB-O 3.44Å; C68-L87 HydrophobicContact CB-CD2 4.32Å
69G98.7Very high97.6Very high0 Ų023 Ų230%012%0.124CC..EExtended strand (participates in β ladder)trans107.6-150.2176.600000114Y19 G54 D83 V84Y19-G69 CarbonylContact O-C 3.24Å; Y19-G69 VanDerWaalsContact O-C 3.24Å; Y19-G69 WeakPolarHBondContact O-CA 3.47Å; G54-G69 WeakPolarHBondContact O-CA 3.14Å; G69-D83 WeakPolarHBondContact O-CA 3.44Å; G69-V84 PolarHBondContact N-O 3.08Å; G69-V84 PolarHBondContact O-N 3.47Å
70Q98.8Very high97.6Very high13 Ų1326.2 Ų26.26%0.06114%0.139CC..  trans-62.7135.4179.8-164.3178.139.700111.5Y19 G54 H72 Q75 D83Y19-Q70 HydrophobicContact CD1-CB 4.12Å; Y19-Q70 HydrophobicContact CD1-CG 3.87Å; Y19-Q70 HydrophobicContact CD2-CB 4.12Å; Y19-Q70 HydrophobicContact CD2-CG 4.37Å; Y19-Q70 HydrophobicContact CE1-CG 4.29Å; Y19-Q70 VanDerWaalsContact CE1-NE2 3.32Å; Y19-Q70 HydrophobicContact CG-CB 3.69Å; Y19-Q70 HydrophobicContact CG-CG 3.93Å; Y19-Q70 VanDerWaalsContact CZ-NE2 3.27Å; G54-Q70 WeakPolarHBondContact O-CB 3.3Å; G54-Q70 PolarHBondContact O-N 2.87Å; Q70-H72 VanDerWaalsContact CD-CD2 3.5Å; Q70-H72 VanDerWaalsContact CG-CD2 3.46Å; Q70-H72 WeakPolarHBondContact CG-CD2 3.45Å; Q70-H72 PolarHBondContact NE2-CD2 3.31Å; Q70-H72 PolarHBondContact NE2-NE2 2.98Å; Q70-H72 VanDerWaalsContact NE2-NE2 3.13Å; Q70-Q75 WeakPolarHBondContact O-CG 3.3Å; Q70-Q75 PolarHBondContact O-NE2 2.8Å; Q70-Q75 VanDerWaalsContact O-NE2 3.13Å; Q70-D83 WeakPolarHBondContact CA-OD1 3.47Å
71N98.7Very high97.7Very high0 Ų028.6 Ų28.60%016%0.156CC..  trans-143.610-175.9-161.625.6000114.3R73 G74 Q75 L76 H80 S81 T82 D83N71-R73 PolarHBondContact O-N 2.83Å; N71-G74 PolarHBondContact O-N 2.94Å; N71-G74 WeakPolarHBondContact OD1-CA 3.3Å; N71-Q75 VanDerWaalsContact CA-OE1 3.23Å; N71-Q75 PolarHBondContact OD1-N 2.97Å; N71-L76 HydrophobicContact CB-CB 4.43Å; N71-L76 HydrophobicContact CB-CD1 3.59Å; N71-L76 HydrophobicContact CB-CG 3.67Å; N71-L76 VanDerWaalsContact CG-CG 3.46Å; N71-L76 WeakPolarHBondContact OD1-CB 3.27Å; N71-L76 WeakPolarHBondContact OD1-CG 3.28Å; N71-L76 PolarHBondContact OD1-N 2.98Å; N71-H80 PolarHBondContact ND2-ND1 3.15Å; N71-H80 PolarHBondContact ND2-O 2.7Å; N71-S81 CarbonylContact C-O 3.35Å; N71-S81 CarbonylContact O-C 3.27Å; N71-S81 VanDerWaalsContact O-C 3.27Å; N71-S81 WeakPolarHBondContact O-CA 3.29Å; N71-S81 WeakPolarHBondContact O-CB 3.34Å; N71-S81 VanDerWaalsContact O-O 3.08Å; N71-T82 WeakPolarHBondContact CB-O 3.5Å; N71-T82 PolarHBondContact ND2-O 3.44Å; N71-D83 PolarHBondContact N-OD1 2.96Å
72H98.2Very high97.9Very high83 Ų8329.5 Ų29.538%0.38417%0.167SC..THydrogen-bonded Turntrans-61.4-10.6-178.873.875.6000115Q70 S81 D83Q70-H72 VanDerWaalsContact CD-CD2 3.5Å; Q70-H72 VanDerWaalsContact CG-CD2 3.46Å; Q70-H72 WeakPolarHBondContact CG-CD2 3.45Å; Q70-H72 PolarHBondContact NE2-CD2 3.31Å; Q70-H72 PolarHBondContact NE2-NE2 2.98Å; Q70-H72 VanDerWaalsContact NE2-NE2 3.13Å; H72-S81 WeakPolarHBondContact CA-O 3.34Å; H72-S81 PolarHBondContact N-O 3.34Å; H72-D83 PolarHBondContact N-OD1 2.83Å
73R98.3Very high98.2Very high106 Ų10630 Ų3040%0.417%0.165SC..THydrogen-bonded Turntrans-106.80.2169.4-60.7-56.7-174.5-174.6-3.1113.3N71 D105 G120 H135N71-R73 PolarHBondContact O-N 2.83Å; R73-D105 HydrophobicContact CG-CB 4.41Å; R73-G120 CarbonylContact O-C 3.24Å; R73-G120 VanDerWaalsContact O-C 3.24Å; R73-G120 VanDerWaalsContact O-CA 3.23Å; R73-G120 WeakPolarHBondContact O-CA 3.32Å; R73-H135 HydrophobicContact CB-CB 4.46Å; R73-H135 WeakPolarHBondContact O-CB 3.41Å; R73-H135 PolarHBondContact O-CD2 3.23Å
74G98.4Very high98.2Very high0 Ų030.5 Ų30.50%017%0.168CC..SBendtrans8217.1-174.200000114N71 L76 G77 G120 S136N71-G74 PolarHBondContact O-N 2.94Å; N71-G74 WeakPolarHBondContact OD1-CA 3.3Å; G74-L76 PolarHBondContact O-N 2.85Å; G74-G77 PolarHBondContact O-N 3.14Å; G74-G120 PolarHBondContact O-N 2.91Å; G74-S136 CarbonylContact C-O 3.57Å; G74-S136 VanDerWaalsContact O-O 3.14Å
75Q98.6Very high98.3Very high0 Ų029.9 Ų29.90%017%0.169CC..THydrogen-bonded Turntrans-64.3-11.4-174.660.5-97.853.400114.3H55 Q70 N71 T107 C119 G120H55-Q75 HydrophobicContact CB-CG 4.4Å; Q70-Q75 WeakPolarHBondContact O-CG 3.3Å; Q70-Q75 PolarHBondContact O-NE2 2.8Å; Q70-Q75 VanDerWaalsContact O-NE2 3.13Å; N71-Q75 VanDerWaalsContact CA-OE1 3.23Å; N71-Q75 PolarHBondContact OD1-N 2.97Å; Q75-T107 WeakPolarHBondContact O-CB 3.24Å; Q75-T107 PolarHBondContact O-OG1 3.26Å; Q75-C119 PolarHBondContact O-SG 2.9Å; Q75-G120 VanDerWaalsContact CA-CA 3.49Å
76L98.7Very high98.2Very high2 Ų231.8 Ų31.81%0.0118%0.181CC..THydrogen-bonded Turntrans-87-13.9174.2-53.9-172.1000113.1H55 V67 N71 G74 L78 V84 C90H55-L76 HydrophobicContact CB-CD2 3.53Å; V67-L76 HydrophobicContact CB-CB 4.12Å; V67-L76 HydrophobicContact CB-CD2 4.1Å; V67-L76 HydrophobicContact CG2-CB 3.78Å; N71-L76 HydrophobicContact CB-CB 4.43Å; N71-L76 HydrophobicContact CB-CD1 3.59Å; N71-L76 HydrophobicContact CB-CG 3.67Å; N71-L76 VanDerWaalsContact CG-CG 3.46Å; N71-L76 WeakPolarHBondContact OD1-CB 3.27Å; N71-L76 WeakPolarHBondContact OD1-CG 3.28Å; N71-L76 PolarHBondContact OD1-N 2.98Å; G74-L76 PolarHBondContact O-N 2.85Å; L76-L78 VanDerWaalsContact C-N 3.27Å; L76-L78 HydrophobicContact CB-CD1 3.8Å; L76-L78 HydrophobicContact CB-CG 3.83Å; L76-L78 HydrophobicContact CD1-CD1 3.8Å; L76-L78 HydrophobicContact CG-CD1 4.48Å; L76-L78 PolarHBondContact O-N 3.02Å; L76-V84 HydrophobicContact CD1-CG2 3.52Å; L76-C90 PolarHBondContact O-SG 2.92Å; L76-C90 VanDerWaalsContact O-SG 3.42Å
77G98.3Very high98.2Very high1 Ų132 Ų321%0.0118%0.182CC..  trans68.321.2-179.800000114.8G74 G79 P91 C119 A137G74-G77 PolarHBondContact O-N 3.14Å; G77-G79 VanDerWaalsContact C-N 3.32Å; G77-G79 PolarHBondContact O-N 2.87Å; G77-P91 WeakPolarHBondContact O-CD 3.39Å; G77-C119 PolarHBondContact N-SG 3.49Å; G77-A137 CarbonylContact C-O 3.04Å; G77-A137 WeakPolarHBondContact CA-O 3.37Å
78L98.2Very high98.1Very high22 Ų2235 Ų3512%0.11520%0.196CC..SBendtrans-82.7-0.2-174-66.7171.1000114.6V67 L76 H80 V84 Q88 A137V67-L78 HydrophobicContact CG2-CD1 4.1Å; V67-L78 HydrophobicContact CG2-CD2 3.71Å; V67-L78 HydrophobicContact CG2-CG 3.9Å; L76-L78 VanDerWaalsContact C-N 3.27Å; L76-L78 HydrophobicContact CB-CD1 3.8Å; L76-L78 HydrophobicContact CB-CG 3.83Å; L76-L78 HydrophobicContact CD1-CD1 3.8Å; L76-L78 HydrophobicContact CG-CD1 4.48Å; L76-L78 PolarHBondContact O-N 3.02Å; L78-H80 PolarHBondContact O-N 3.23Å; L78-V84 HydrophobicContact CD1-CG1 4.14Å; L78-V84 HydrophobicContact CD1-CG2 4.16Å; L78-Q88 HydrophobicContact CD1-CB 4.42Å; L78-Q88 HydrophobicContact CD2-CB 4.06Å; L78-A137 PolarHBondContact N-O 3.28Å
79G97.9Very high98Very high48 Ų4839.4 Ų39.450%0.49522%0.219SC..SBendtrans783.3-172.200000114.3G77 A137G77-G79 VanDerWaalsContact C-N 3.32Å; G77-G79 PolarHBondContact O-N 2.87Å; G79-A137 WeakPolarHBondContact CA-O 3.29Å; G79-A137 PolarHBondContact N-O 3.41Å
80H98.1Very high97.9Very high69 Ų6939.6 Ų39.632%0.31922%0.22SC..SBendtrans-140.3169.9172.263.173.4000111.3N71 L78 T82 A137N71-H80 PolarHBondContact ND2-ND1 3.15Å; N71-H80 PolarHBondContact ND2-O 2.7Å; L78-H80 PolarHBondContact O-N 3.23Å; H80-T82 PolarHBondContact CE1-O 2.89Å; H80-T82 PolarHBondContact ND1-N 2.98Å; H80-T82 PolarHBondContact ND1-O 2.9Å; H80-A137 WeakPolarHBondContact O-CB 3.33Å
81S98Very high97.7Very high51 Ų5142.1 Ų42.136%0.35724%0.238SC..  trans-113.818.9-176.6-52.90000114.6N71 H72N71-S81 CarbonylContact C-O 3.35Å; N71-S81 CarbonylContact O-C 3.27Å; N71-S81 VanDerWaalsContact O-C 3.27Å; N71-S81 WeakPolarHBondContact O-CA 3.29Å; N71-S81 WeakPolarHBondContact O-CB 3.34Å; N71-S81 VanDerWaalsContact O-O 3.08Å; H72-S81 WeakPolarHBondContact CA-O 3.34Å; H72-S81 PolarHBondContact N-O 3.34Å
82T98.4Very high97.1Very high99 Ų9943.1 Ų43.161%0.60724%0.244SC*.  trans-86.7134174.3-51.80000111.2N71 H80N71-T82 WeakPolarHBondContact CB-O 3.5Å; N71-T82 PolarHBondContact ND2-O 3.44Å; H80-T82 PolarHBondContact CE1-O 2.89Å; H80-T82 PolarHBondContact ND1-N 2.98Å; H80-T82 PolarHBondContact ND1-O 2.9Å
83D98.4Very high96.2Very high67 Ų6745.4 Ų45.436%0.35826%0.258SS..  trans-60.9146.6174.4-61.4-3.2000110.9G69 Q70 N71 H72G69-D83 WeakPolarHBondContact O-CA 3.44Å; Q70-D83 WeakPolarHBondContact CA-OD1 3.47Å; N71-D83 PolarHBondContact N-OD1 2.96Å; H72-D83 PolarHBondContact N-OD1 2.83Å
84V98Very high95.5Very high15 Ų1548.1 Ų48.19%0.09128%0.281CS..EExtended strand (participates in β ladder)trans-134.6126.1-179.6-53.80000110.5C68 G69 L76 L78 Q88C68-V84 HydrophobicContact CB-CG2 4.34Å; G69-V84 PolarHBondContact N-O 3.08Å; G69-V84 PolarHBondContact O-N 3.47Å; L76-V84 HydrophobicContact CD1-CG2 3.52Å; L78-V84 HydrophobicContact CD1-CG1 4.14Å; L78-V84 HydrophobicContact CD1-CG2 4.16Å; V84-Q88 HydrophobicContact CB-CG 4.44Å; V84-Q88 HydrophobicContact CG2-CG 4.22Å
85S97.3Very high95Very high39 Ų3951.4 Ų51.427%0.27330%0.296SS..EExtended strand (participates in β ladder)trans-934.1-17558.60000114.6G23 Q24 S25G23-S85 CarbonylContact C-O 3.3Å; G23-S85 VanDerWaalsContact CA-O 3.22Å; G23-S85 WeakPolarHBondContact CA-O 3.29Å; Q24-S85 PolarHBondContact N-O 2.7Å; Q24-S85 VanDerWaalsContact N-O 3.15Å; S25-S85 PolarHBondContact N-O 3.06Å
86T96.4Very high94.9Very high41 Ų4156.1 Ų56.125%0.25231%0.313SS..EExtended strand (participates in β ladder)trans-129.2156.517557.50000109.8C68 Q88C68-T86 WeakPolarHBondContact CB-O 3.44Å; T86-Q88 PolarHBondContact O-N 2.93Å
87L97.3Very high94.8Very high10 Ų1056 Ų565%0.05231%0.313CS..EExtended strand (participates in β ladder)trans-63.4126178.6-72.2173.7000110.8L11 A40 L41 V58 F66 C68L11-L87 HydrophobicContact CD2-CD1 4.1Å; A40-L87 HydrophobicContact CB-CB 4.08Å; A40-L87 WeakPolarHBondContact CB-O 3.02Å; L41-L87 HydrophobicContact CD1-CD1 4.25Å; L41-L87 HydrophobicContact CD2-CD1 4.48Å; L41-L87 HydrophobicContact CG-CD1 4.19Å; V58-L87 HydrophobicContact CG2-CD1 4.39Å; V58-L87 HydrophobicContact CG2-CD2 3.85Å; F66-L87 HydrophobicContact CB-CB 4.37Å; F66-L87 HydrophobicContact CB-CD2 4.19Å; C68-L87 HydrophobicContact CB-CD2 4.32Å
88Q97.3Very high94.8Very high68 Ų6857 Ų5732%0.31832%0.321SS..EExtended strand (participates in β ladder)trans-121144.1174.8-63.5-167.6-2.400110.7F66 V67 L78 V84 T86 C90F66-Q88 CarbonylContact C-O 3.2Å; F66-Q88 VanDerWaalsContact CA-O 3.22Å; F66-Q88 WeakPolarHBondContact CA-O 3.4Å; V67-Q88 WeakPolarHBondContact CG2-O 3.18Å; V67-Q88 PolarHBondContact N-O 3.32Å; V67-Q88 PolarHBondContact O-N 3.01Å; L78-Q88 HydrophobicContact CD1-CB 4.42Å; L78-Q88 HydrophobicContact CD2-CB 4.06Å; V84-Q88 HydrophobicContact CB-CG 4.44Å; V84-Q88 HydrophobicContact CG2-CG 4.22Å; T86-Q88 PolarHBondContact O-N 2.93Å; Q88-C90 PolarHBondContact O-N 3.15Å
89L96.6Very high94.8Very high93 Ų9358.7 Ų58.749%0.48733%0.33SS..EExtended strand (participates in β ladder)trans-70.5119.3176.3179.164.1000109.9E64 F66E64-L89 HydrophobicContact CB-CD1 4.04Å; E64-L89 HydrophobicContact CG-CD1 4.48Å; F66-L89 HydrophobicContact CD1-CB 4.33Å; F66-L89 HydrophobicContact CE1-CB 4.12Å; F66-L89 HydrophobicContact CE1-CD1 4.19Å; F66-L89 HydrophobicContact CE2-CD1 4.27Å; F66-L89 HydrophobicContact CZ-CD1 4.03Å
90C97.1Very high94.9Very high5 Ų556.8 Ų56.83%0.03431%0.309CS..  trans-71.5128.4171.1-1730000109.4V65 V67 L76 Q88 V92V65-C90 HydrophobicContact CB-CB 4.06Å; V65-C90 HydrophobicContact CG1-CB 3.99Å; V65-C90 WeakPolarHBondContact O-CB 3.29Å; V65-C90 PolarHBondContact O-N 3.21Å; V67-C90 HydrophobicContact CG1-CB 4.25Å; V67-C90 HydrophobicContact CG2-CB 4.34Å; L76-C90 PolarHBondContact O-SG 2.92Å; L76-C90 VanDerWaalsContact O-SG 3.42Å; Q88-C90 PolarHBondContact O-N 3.15Å; C90-V92 HydrophobicContact CB-CG2 4.25Å; C90-V92 PolarHBondContact O-N 2.94Å
91P94.4Very high94.9Very high66 Ų6653.9 Ų53.943%0.42930%0.296SS..  trans-75.369-177.732.1-36.9000112.1G77 L93G77-P91 WeakPolarHBondContact O-CD 3.39Å; P91-L93 PolarHBondContact O-N 3.1Å
92V86.1Confident94.9Very high21 Ų2152 Ų5213%0.12728%0.284CS..  trans-81.469.8174.1-164.80000109.7V65 C90 N94 H95 V97 L109 L117 L139V65-V92 HydrophobicContact CB-CG2 4.17Å; V65-V92 HydrophobicContact CG2-CG2 4.18Å; C90-V92 HydrophobicContact CB-CG2 4.25Å; C90-V92 PolarHBondContact O-N 2.94Å; V92-N94 PolarHBondContact O-N 3.24Å; V92-H95 HydrophobicContact CG1-CB 3.99Å; V92-V97 HydrophobicContact CB-CG2 4.42Å; V92-V97 HydrophobicContact CG1-CG2 3.81Å; V92-V97 HydrophobicContact CG2-CG2 4.24Å; V92-L109 HydrophobicContact CG2-CD1 3.84Å; V92-L117 HydrophobicContact CG1-CD1 4.12Å; V92-L139 HydrophobicContact CB-CD1 4.19Å; V92-L139 HydrophobicContact CG1-CD1 4.21Å; V92-L139 HydrophobicContact CG2-CD1 3.74Å
93L77.9Confident94.9Very high130 Ų13047.6 Ų47.668%0.68126%0.257SS*.THydrogen-bonded Turntrans-65.8133.2-175.6-61.1176.2000111.1P91 H95P91-L93 PolarHBondContact O-N 3.1Å; L93-H95 PolarHBondContact O-CD2 3.15Å; L93-H95 VanDerWaalsContact O-CD2 3.22Å; L93-H95 PolarHBondContact O-N 3.47Å
94N84Confident94.9Very high164 Ų16449 Ų4988%0.87726%0.257SS*.THydrogen-bonded Turntrans66.89.8174.4-48.4-58.3000116.8V92V92-N94 PolarHBondContact O-N 3.24Å
95H88.8Confident95Very high69 Ų6949.1 Ų49.132%0.31926%0.258SS..  trans-129.7137.8175.3-57.3-79.7000111.2V92 L93 T111 Q115V92-H95 HydrophobicContact CG1-CB 3.99Å; L93-H95 PolarHBondContact O-CD2 3.15Å; L93-H95 VanDerWaalsContact O-CD2 3.22Å; L93-H95 PolarHBondContact O-N 3.47Å; H95-T111 HydrophobicContact CB-CG2 3.71Å; H95-Q115 PolarHBondContact CE1-OE1 2.93Å
96R95.4Very high95Very high98 Ų9847.3 Ų47.337%0.3725%0.245SC..  trans-91.6123.8166.5-172.7171.9173.4-87.22.7108.5E61 S62 T111 D112E61-R96 PolarHBondContact O-NH2 2.89Å; S62-R96 WeakPolarHBondContact O-CD 3.29Å; S62-R96 WeakPolarHBondContact O-CG 3.43Å; S62-R96 PolarHBondContact O-NE 2.87Å; R96-T111 CarbonylContact O-C 3.33Å; R96-T111 VanDerWaalsContact O-CA 3.26Å; R96-T111 WeakPolarHBondContact O-CA 3.37Å; R96-T111 WeakPolarHBondContact O-CB 3.43Å; R96-D112 WeakPolarHBondContact CB-OD2 3.4Å; R96-D112 WeakPolarHBondContact CD-OD2 3.43Å; R96-D112 WeakPolarHBondContact CG-OD2 3.37Å; R96-D112 IonicContact CZ-OD2 2.69Å; R96-D112 IonicContact NE-OD2 3.05Å; R96-D112 IonicContact NH1-OD1 3.61Å; R96-D112 PolarHBondContact NH1-OD1 2.95Å; R96-D112 IonicContact NH1-OD2 3.52Å; R96-D112 PolarHBondContact NH1-OD2 2.81Å; R96-D112 PolarHBondContact O-N 2.85Å
97V98.3Very high95.1Very high0 Ų045.5 Ų45.50%023%0.234CC..EExtended strand (participates in β ladder)trans-84.5132179.5-178.80000109.7L59 G63 V65 V92 N99 V100 L109L59-V97 HydrophobicContact CD1-CB 3.68Å; L59-V97 HydrophobicContact CD1-CG1 3.78Å; L59-V97 HydrophobicContact CD2-CG1 4.18Å; G63-V97 WeakPolarHBondContact CA-O 3.46Å; G63-V97 PolarHBondContact O-N 3.14Å; V65-V97 HydrophobicContact CG2-CB 3.78Å; V65-V97 HydrophobicContact CG2-CG1 3.94Å; V65-V97 HydrophobicContact CG2-CG2 3.66Å; V92-V97 HydrophobicContact CB-CG2 4.42Å; V92-V97 HydrophobicContact CG1-CG2 3.81Å; V92-V97 HydrophobicContact CG2-CG2 4.24Å; V97-N99 WeakPolarHBondContact CG1-O 3.28Å; V97-V100 HydrophobicContact CG1-CG1 3.98Å; V97-L109 HydrophobicContact CG1-CB 4.19Å; V97-L109 HydrophobicContact CG2-CB 4.32Å; V97-L109 HydrophobicContact CG2-CD1 4.46Å
98A97.8Very high95.2Very high21 Ų2145 Ų4517%0.17423%0.231CC..EExtended strand (participates in β ladder)trans-99.6-35.1-178.800000112.5L110 D112A98-L110 PolarHBondContact N-O 3.04Å; A98-D112 VanDerWaalsContact CB-OD1 3.28Å; A98-D112 WeakPolarHBondContact CB-OD1 3.27Å
99N98.2Very high95.3Very high59 Ų5941.9 Ų41.932%0.31622%0.217SC..EExtended strand (participates in β ladder)trans-155.4161.3-178.4-154.9-2000111.6V97 L110V97-N99 WeakPolarHBondContact CG1-O 3.28Å; N99-L110 HydrophobicContact CB-CB 4.22Å; N99-L110 HydrophobicContact CB-CD2 4.32Å; N99-L110 PolarHBondContact N-O 2.88Å; N99-L110 PolarHBondContact O-N 3.36Å
100V98.5Very high95.4Very high8 Ų837.8 Ų37.85%0.04820%0.195CC..EExtended strand (participates in β ladder)trans-133.5152.9180-58.90000110.3V48 D50 V57 L59 V97 L108 L109V48-V100 HydrophobicContact CB-CG2 4.41Å; V48-V100 HydrophobicContact CG1-CG2 3.79Å; D50-V100 HydrophobicContact CB-CG2 3.74Å; V57-V100 HydrophobicContact CG1-CB 4.27Å; V57-V100 HydrophobicContact CG1-CG1 3.98Å; V57-V100 HydrophobicContact CG1-CG2 4.22Å; L59-V100 HydrophobicContact CB-CG1 4.39Å; L59-V100 HydrophobicContact CD2-CG1 4.41Å; V97-V100 HydrophobicContact CG1-CG1 3.98Å; V100-L108 WeakPolarHBondContact CA-O 3.33Å; V100-L109 HydrophobicContact CB-CD2 4.28Å; V100-L109 HydrophobicContact CG1-CD2 3.57Å
101A98.7Very high95.5Very high7 Ų737.7 Ų37.76%0.05820%0.195CC..EExtended strand (participates in β ladder)trans-144.6125.3168.600000110.3D50 L108 V152 A154D50-A101 VanDerWaalsContact OD2-CA 3.26Å; D50-A101 WeakPolarHBondContact OD2-CA 3.21Å; A101-L108 HydrophobicContact CB-CB 4.42Å; A101-L108 PolarHBondContact N-O 3.39Å; A101-L108 PolarHBondContact O-N 3.1Å; A101-V152 HydrophobicContact CB-CG1 3.94Å; A101-V152 HydrophobicContact CB-CG2 4.22Å; A101-A154 HydrophobicContact CB-CB 4.05Å
102C98.7Very high95.5Very high13 Ų1338.7 Ų38.79%0.08820%0.196CC..EExtended strand (participates in β ladder)trans-106.7127.1-176.9-550000111D50 G51 V57 A154D50-C102 PolarHBondContact OD2-N 3.24Å; D50-C102 PolarHBondContact OD2-SG 3.02Å; G51-C102 WeakPolarHBondContact O-CB 3.46Å; V57-C102 WeakPolarHBondContact CG2-SG 3.28Å; C102-A154 VanDerWaalsContact C-CB 3.44Å
103G98.6Very high96Very high5 Ų541.5 Ų41.55%0.05222%0.217CC..  trans-94.1-160.7170.500000111.5G52 G53 F106 A154 G155G52-G103 WeakPolarHBondContact CA-O 3.35Å; G53-G103 PolarHBondContact N-O 3.2Å; G103-F106 PolarHBondContact N-O 3.4Å; G103-A154 VanDerWaalsContact N-CB 3.33Å; G103-G155 WeakPolarHBondContact CA-O 3.38Å
104W98.4Very high97Very high96 Ų9635.9 Ų35.936%0.36419%0.19SC..SBendtrans-60.1-53.9178.9-174.5-108.1000112.6G53 L156 W268 A377G53-W104 VanDerWaalsContact CA-CZ3 3.49Å; G53-W104 VanDerWaalsContact CA-O 3.3Å; G53-W104 WeakPolarHBondContact CA-O 3.27Å; G53-W104 PolarHBondContact N-O 2.85Å; W104-L156 HydrophobicContact CB-CD1 3.79Å; W104-L156 HydrophobicContact CB-CG 4.35Å; W104-L156 VanDerWaalsContact CB-O 3.22Å; W104-L156 WeakPolarHBondContact CB-O 3.4Å; W104-L156 HydrophobicContact CD2-CD1 3.93Å; W104-L156 HydrophobicContact CE3-CD1 3.88Å; W104-L156 HydrophobicContact CG-CD1 3.94Å; W104-W268 HydrophobicContact CD2-CZ2 4.46Å; W104-W268 AromaticContact CE3-CH2 3.54Å; W104-W268 HydrophobicContact CE3-CH2 3.54Å; W104-W268 AromaticContact CE3-CZ2 3.32Å; W104-W268 HydrophobicContact CE3-CZ2 3.32Å; W104-W268 AromaticContact CH2-CH2 3.94Å; W104-W268 HydrophobicContact CH2-CH2 3.94Å; W104-W268 HydrophobicContact CH2-CZ2 4.45Å; W104-W268 AromaticContact CZ3-CH2 3.2Å; W104-W268 HydrophobicContact CZ3-CH2 3.2Å; W104-W268 AromaticContact CZ3-CZ2 3.33Å; W104-W268 HydrophobicContact CZ3-CZ2 3.33Å; W104-A377 HydrophobicContact CE3-CB 4.24Å; W104-A377 HydrophobicContact CZ3-CB 3.78Å
105D98.5Very high97.6Very high19 Ų1931.5 Ų31.510%0.10217%0.165CC..SBendtrans-136.728-170.761.4-8.8000112R73 S121 Q126R73-D105 HydrophobicContact CG-CB 4.41Å; D105-S121 VanDerWaalsContact O-CB 3.29Å; D105-S121 WeakPolarHBondContact O-CB 3.47Å; D105-S121 PolarHBondContact O-N 3.17Å; D105-S121 WeakPolarHBondContact OD1-CB 3.46Å; D105-S121 WeakPolarHBondContact OD2-CB 3.3Å; D105-S121 PolarHBondContact OD2-OG 2.87Å; D105-Q126 PolarHBondContact OD1-NE2 2.87Å
106F98.9Very high98.1Very high0 Ų028.4 Ų28.40%015%0.15CC..EExtended strand (participates in β ladder)trans-153.4159.3178.876.1-77.7000112.1G103 L108 C119 Q126 L127 A154 G155 S159G103-F106 PolarHBondContact N-O 3.4Å; F106-L108 HydrophobicContact CD2-CD2 4.15Å; F106-L108 HydrophobicContact CD2-CG 4.15Å; F106-L108 HydrophobicContact CE2-CD1 4.02Å; F106-L108 HydrophobicContact CE2-CD2 4.12Å; F106-L108 HydrophobicContact CE2-CG 3.86Å; F106-C119 WeakPolarHBondContact CA-O 3.3Å; F106-C119 WeakPolarHBondContact CB-O 3.45Å; F106-Q126 HydrophobicContact CB-CG 4.29Å; F106-Q126 HydrophobicContact CD1-CB 4.29Å; F106-Q126 HydrophobicContact CD1-CG 3.48Å; F106-Q126 VanDerWaalsContact CD1-CG 3.48Å; F106-Q126 HydrophobicContact CD2-CG 4.11Å; F106-Q126 HydrophobicContact CE1-CB 3.98Å; F106-Q126 HydrophobicContact CE1-CG 3.67Å; F106-Q126 HydrophobicContact CE2-CB 4.3Å; F106-Q126 HydrophobicContact CE2-CG 4.31Å; F106-Q126 HydrophobicContact CG-CG 3.69Å; F106-Q126 HydrophobicContact CZ-CB 4Å; F106-Q126 HydrophobicContact CZ-CG 4.09Å; F106-L127 HydrophobicContact CB-CD2 3.68Å; F106-L127 HydrophobicContact CD2-CD2 4.13Å; F106-L127 HydrophobicContact CG-CD2 4.27Å; F106-A154 HydrophobicContact CE1-CB 4.44Å; F106-A154 HydrophobicContact CE2-CB 3.77Å; F106-A154 HydrophobicContact CZ-CB 3.58Å; F106-G155 WeakPolarHBondContact CE1-O 3.48Å; F106-S159 WeakPolarHBondContact CE2-OG 3.46Å; F106-S159 WeakPolarHBondContact CZ-OG 3.26Å
107T98.9Very high98.2Very high3 Ų324.2 Ų24.22%0.01814%0.135CC..EExtended strand (participates in β ladder)trans-131.3139.7-176.4-56.40000110.1H55 V57 Q75 L109 A118 C119H55-T107 PolarHBondContact NE2-OG1 2.71Å; V57-T107 HydrophobicContact CG2-CG2 4.09Å; Q75-T107 WeakPolarHBondContact O-CB 3.24Å; Q75-T107 PolarHBondContact O-OG1 3.26Å; T107-L109 HydrophobicContact CG2-CD2 3.79Å; T107-L109 HydrophobicContact CG2-CG 4.43Å; T107-A118 WeakPolarHBondContact O-CA 3.43Å; T107-C119 PolarHBondContact N-O 3.16Å; T107-C119 PolarHBondContact O-N 2.78Å
108L98.9Very high98.2Very high0 Ų024.2 Ų24.20%014%0.135CC..EExtended strand (participates in β ladder)trans-116.1129.3173.2-58.5179.2000109.5V100 A101 F106 L116 L117 A118 V152 A154 W171V100-L108 WeakPolarHBondContact CA-O 3.33Å; A101-L108 HydrophobicContact CB-CB 4.42Å; A101-L108 PolarHBondContact N-O 3.39Å; A101-L108 PolarHBondContact O-N 3.1Å; F106-L108 HydrophobicContact CD2-CD2 4.15Å; F106-L108 HydrophobicContact CD2-CG 4.15Å; F106-L108 HydrophobicContact CE2-CD1 4.02Å; F106-L108 HydrophobicContact CE2-CD2 4.12Å; F106-L108 HydrophobicContact CE2-CG 3.86Å; L108-L116 HydrophobicContact CB-CD1 4.17Å; L108-L117 CarbonylContact C-O 3.6Å; L108-L117 WeakPolarHBondContact CA-O 3.39Å; L108-A118 HydrophobicContact CD2-CB 3.6Å; L108-V152 HydrophobicContact CB-CG2 3.89Å; L108-V152 HydrophobicContact CD1-CG2 3.35Å; L108-V152 HydrophobicContact CG-CG2 4.26Å; L108-A154 HydrophobicContact CD1-CB 4.25Å; L108-W171 HydrophobicContact CD1-CZ2 4.45Å
109L98.8Very high98.3Very high2 Ų223.3 Ų23.31%0.0113%0.127CC..EExtended strand (participates in β ladder)trans-115.8119176.4-50.7-179.5000109.2V65 V92 V97 V100 T107 L117 L139V65-L109 HydrophobicContact CG1-CD2 4.28Å; V65-L109 HydrophobicContact CG2-CD1 4.47Å; V65-L109 HydrophobicContact CG2-CD2 4.38Å; V92-L109 HydrophobicContact CG2-CD1 3.84Å; V97-L109 HydrophobicContact CG1-CB 4.19Å; V97-L109 HydrophobicContact CG2-CB 4.32Å; V97-L109 HydrophobicContact CG2-CD1 4.46Å; V100-L109 HydrophobicContact CB-CD2 4.28Å; V100-L109 HydrophobicContact CG1-CD2 3.57Å; T107-L109 HydrophobicContact CG2-CD2 3.79Å; T107-L109 HydrophobicContact CG2-CG 4.43Å; L109-L117 HydrophobicContact CB-CB 4.3Å; L109-L117 PolarHBondContact N-O 3.27Å; L109-L117 PolarHBondContact O-N 2.88Å; L109-L139 HydrophobicContact CD1-CD1 4.02Å; L109-L139 HydrophobicContact CD1-CD2 3.6Å; L109-L139 HydrophobicContact CD1-CG 4.49Å; L109-L139 HydrophobicContact CG-CD2 4.33Å
110L98.7Very high98.3Very high7 Ų720.5 Ų20.54%0.03711%0.112CC..EExtended strand (participates in β ladder)trans-95.2120175.1177.459000109.3A98 N99 V149 V152A98-L110 PolarHBondContact N-O 3.04Å; N99-L110 HydrophobicContact CB-CB 4.22Å; N99-L110 HydrophobicContact CB-CD2 4.32Å; N99-L110 PolarHBondContact N-O 2.88Å; N99-L110 PolarHBondContact O-N 3.36Å; L110-V149 HydrophobicContact CD1-CB 3.64Å; L110-V149 HydrophobicContact CD1-CG1 3.76Å; L110-V149 HydrophobicContact CD2-CG1 4.24Å; L110-V152 HydrophobicContact CB-CG1 4.18Å
111T98.3Very high98.3Very high3 Ų320.2 Ų20.22%0.01811%0.111CC..EExtended strand (participates in β ladder)trans-81163.3177.772.70000112.1H95 R96 S113 G114 Q115 L117H95-T111 HydrophobicContact CB-CG2 3.71Å; R96-T111 CarbonylContact O-C 3.33Å; R96-T111 VanDerWaalsContact O-CA 3.26Å; R96-T111 WeakPolarHBondContact O-CA 3.37Å; R96-T111 WeakPolarHBondContact O-CB 3.43Å; T111-S113 PolarHBondContact O-N 3.49Å; T111-S113 PolarHBondContact OG1-N 3.16Å; T111-S113 PolarHBondContact OG1-OG 2.59Å; T111-G114 PolarHBondContact O-N 2.96Å; T111-Q115 HydrophobicContact CG2-CB 4.24Å; T111-Q115 PolarHBondContact N-O 3.41Å; T111-Q115 WeakPolarHBondContact OG1-CB 3.19Å; T111-Q115 PolarHBondContact OG1-N 2.94Å; T111-Q115 PolarHBondContact OG1-O 2.79Å; T111-L117 HydrophobicContact CG2-CD1 4.23Å; T111-L117 HydrophobicContact CG2-CG 4.35Å
112D96.3Very high98.3Very high87 Ų8720.1 Ų20.147%0.46511%0.11SC..THydrogen-bonded Turntrans-61.8-26173.2-71.6-39.2000113.5R96 A98 G114R96-D112 WeakPolarHBondContact CB-OD2 3.4Å; R96-D112 WeakPolarHBondContact CD-OD2 3.43Å; R96-D112 WeakPolarHBondContact CG-OD2 3.37Å; R96-D112 IonicContact CZ-OD2 2.69Å; R96-D112 IonicContact NE-OD2 3.05Å; R96-D112 IonicContact NH1-OD1 3.61Å; R96-D112 PolarHBondContact NH1-OD1 2.95Å; R96-D112 IonicContact NH1-OD2 3.52Å; R96-D112 PolarHBondContact NH1-OD2 2.81Å; R96-D112 PolarHBondContact O-N 2.85Å; A98-D112 VanDerWaalsContact CB-OD1 3.28Å; A98-D112 WeakPolarHBondContact CB-OD1 3.27Å; D112-G114 PolarHBondContact O-N 3.11Å
113S96.3Very high98.2Very high81 Ų8122.4 Ų22.457%0.56613%0.129SC*.THydrogen-bonded Turntrans-77.6-0.7174.758.80000113.1T111 Q115T111-S113 PolarHBondContact O-N 3.49Å; T111-S113 PolarHBondContact OG1-N 3.16Å; T111-S113 PolarHBondContact OG1-OG 2.59Å; S113-Q115 VanDerWaalsContact C-N 3.31Å
114G97.6Very high98.2Very high11 Ų1124.9 Ų24.911%0.11314%0.139CC..SBendtrans7517.4-176.100000113.8T111 D112 V149T111-G114 PolarHBondContact O-N 2.96Å; D112-G114 PolarHBondContact O-N 3.11Å; G114-V149 WeakPolarHBondContact CA-O 3.26Å; G114-V149 PolarHBondContact O-N 3.33Å
115Q97.6Very high98.1Very high72 Ų7220.3 Ų20.334%0.33612%0.121SC..  trans-81.7139.5171.7-172.5176.21500109.6H95 T111 S113 L117H95-Q115 PolarHBondContact CE1-OE1 2.93Å; T111-Q115 HydrophobicContact CG2-CB 4.24Å; T111-Q115 PolarHBondContact N-O 3.41Å; T111-Q115 WeakPolarHBondContact OG1-CB 3.19Å; T111-Q115 PolarHBondContact OG1-N 2.94Å; T111-Q115 PolarHBondContact OG1-O 2.79Å; S113-Q115 VanDerWaalsContact C-N 3.31Å; Q115-L117 HydrophobicContact CG-CD2 4.29Å
116L98.4Very high98.1Very high4 Ų419.4 Ų19.42%0.02112%0.117CC..EExtended strand (participates in β ladder)trans-103123.4176.2-171.164.7000110.2L108 V142 L145 V152 W171L108-L116 HydrophobicContact CB-CD1 4.17Å; L116-V142 HydrophobicContact CB-CB 4.21Å; L116-V142 HydrophobicContact CB-CG2 4.28Å; L116-V142 HydrophobicContact CD2-CB 4.27Å; L116-V142 HydrophobicContact CD2-CG2 4.03Å; L116-V142 HydrophobicContact CG-CB 4.38Å; L116-V142 HydrophobicContact CG-CG2 3.99Å; L116-V142 PolarHBondContact O-N 2.81Å; L116-L145 HydrophobicContact CB-CD1 4.37Å; L116-L145 HydrophobicContact CD2-CD1 3.81Å; L116-V152 HydrophobicContact CD1-CB 4.35Å; L116-V152 HydrophobicContact CD1-CG2 3.96Å; L116-W171 HydrophobicContact CD2-CH2 3.59Å; L116-W171 HydrophobicContact CD2-CZ2 3.68Å
117L98.4Very high98.1Very high11 Ų1119.4 Ų19.46%0.05812%0.117CC..EExtended strand (participates in β ladder)trans-108.2149.3171.7-51.7177.8000109.6V92 L108 L109 T111 Q115 L139 L140 A141V92-L117 HydrophobicContact CG1-CD1 4.12Å; L108-L117 CarbonylContact C-O 3.6Å; L108-L117 WeakPolarHBondContact CA-O 3.39Å; L109-L117 HydrophobicContact CB-CB 4.3Å; L109-L117 PolarHBondContact N-O 3.27Å; L109-L117 PolarHBondContact O-N 2.88Å; T111-L117 HydrophobicContact CG2-CD1 4.23Å; T111-L117 HydrophobicContact CG2-CG 4.35Å; Q115-L117 HydrophobicContact CG-CD2 4.29Å; L117-L139 HydrophobicContact CB-CB 4.49Å; L117-L139 HydrophobicContact CD1-CD1 4.49Å; L117-L140 CarbonylContact C-O 3.28Å; L117-L140 VanDerWaalsContact CA-O 3.29Å; L117-L140 WeakPolarHBondContact CA-O 3.39Å; L117-A141 HydrophobicContact CD2-CB 4.06Å
118A98.6Very high98.1Very high0 Ų019.3 Ų19.30%012%0.116CC..EExtended strand (participates in β ladder)trans-142.3143.6-177.600000112T107 L108 L127 L140 V142T107-A118 WeakPolarHBondContact O-CA 3.43Å; L108-A118 HydrophobicContact CD2-CB 3.6Å; A118-L127 HydrophobicContact CB-CB 4Å; A118-L127 HydrophobicContact CB-CD2 4.08Å; A118-L140 PolarHBondContact N-O 3.22Å; A118-L140 PolarHBondContact O-N 2.83Å; A118-V142 HydrophobicContact CB-CG2 4.04Å
119C98.8Very high97.9Very high1 Ų119.9 Ų19.91%0.00712%0.12CC..EExtended strand (participates in β ladder)trans-144.2167.9171.261.90000111Q75 G77 F106 T107 L127 L139Q75-C119 PolarHBondContact O-SG 2.9Å; G77-C119 PolarHBondContact N-SG 3.49Å; F106-C119 WeakPolarHBondContact CA-O 3.3Å; F106-C119 WeakPolarHBondContact CB-O 3.45Å; T107-C119 PolarHBondContact N-O 3.16Å; T107-C119 PolarHBondContact O-N 2.78Å; C119-L127 VanDerWaalsContact O-CD2 3.25Å; C119-L127 WeakPolarHBondContact O-CD2 3.47Å; C119-L139 HydrophobicContact CB-CD2 4.06Å
120G98.8Very high97.3Very high0 Ų021.7 Ų21.70%014%0.138CC..EExtended strand (participates in β ladder)trans100-149.6-176.800000113.8R73 G74 Q75 H135 S136R73-G120 CarbonylContact O-C 3.24Å; R73-G120 VanDerWaalsContact O-C 3.24Å; R73-G120 VanDerWaalsContact O-CA 3.23Å; R73-G120 WeakPolarHBondContact O-CA 3.32Å; G74-G120 PolarHBondContact O-N 2.91Å; Q75-G120 VanDerWaalsContact CA-CA 3.49Å; G120-H135 CarbonylContact O-C 3.59Å; G120-H135 WeakPolarHBondContact O-CA 3.35Å; G120-H135 VanDerWaalsContact O-CB 3.29Å; G120-H135 WeakPolarHBondContact O-CB 3.45Å; G120-S136 PolarHBondContact N-O 2.83Å; G120-S136 PolarHBondContact O-N 2.87Å
121S98.6Very high96.4Very high2 Ų228.5 Ų28.51%0.01417%0.17CC..EExtended strand (participates in β ladder)trans-70137.1-175.9-170.90000112.5D105 Q126 L127D105-S121 VanDerWaalsContact O-CB 3.29Å; D105-S121 WeakPolarHBondContact O-CB 3.47Å; D105-S121 PolarHBondContact O-N 3.17Å; D105-S121 WeakPolarHBondContact OD1-CB 3.46Å; D105-S121 WeakPolarHBondContact OD2-CB 3.3Å; D105-S121 PolarHBondContact OD2-OG 2.87Å; S121-Q126 VanDerWaalsContact O-CG 3.26Å; S121-Q126 WeakPolarHBondContact O-CG 3.35Å; S121-Q126 PolarHBondContact O-NE2 2.93Å; S121-Q126 PolarHBondContact OG-NE2 2.89Å; S121-L127 WeakPolarHBondContact O-CD2 3.16Å; S121-L127 WeakPolarHBondContact O-CG 3.05Å
122N98.3Very high96.1Very high6 Ų634.7 Ų34.73%0.03221%0.208CC..  trans-12420.3171-157.539.6000112.4F124 G125 Q126 L127 V133 T134N122-F124 PolarHBondContact O-N 3.02Å; N122-F124 VanDerWaalsContact O-N 3.13Å; N122-G125 PolarHBondContact O-N 2.94Å; N122-G125 WeakPolarHBondContact OD1-CA 3.38Å; N122-Q126 VanDerWaalsContact C-OE1 3.31Å; N122-Q126 PolarHBondContact OD1-N 2.79Å; N122-L127 HydrophobicContact CB-CB 4.31Å; N122-L127 HydrophobicContact CB-CD1 3.78Å; N122-L127 HydrophobicContact CB-CG 3.75Å; N122-L127 WeakPolarHBondContact OD1-CB 3.33Å; N122-L127 PolarHBondContact OD1-N 2.89Å; N122-V133 HydrophobicContact CB-CG1 4.45Å; N122-V133 WeakPolarHBondContact CB-O 3.23Å; N122-V133 PolarHBondContact ND2-O 3.46Å; N122-T134 CarbonylContact C-O 3.38Å; N122-T134 VanDerWaalsContact CA-O 3.32Å; N122-T134 WeakPolarHBondContact CA-O 3.17Å; N122-T134 WeakPolarHBondContact CB-O 3.13Å; N122-T134 PolarHBondContact N-O 2.96Å
123A97.2Very high96.1Very high60 Ų6032.5 Ų32.550%0.49620%0.197SC..THydrogen-bonded Turntrans-57.8-29.8-177.600000113.2T134A123-T134 PolarHBondContact N-O 3.02Å
124F97.4Very high96Very high58 Ų5833.1 Ų33.125%0.25420%0.198SC..THydrogen-bonded Turntrans-104.54.5176.5-62.3-89.4000112.3N122 Q126 R157 G172 T173N122-F124 PolarHBondContact O-N 3.02Å; N122-F124 VanDerWaalsContact O-N 3.13Å; F124-Q126 VanDerWaalsContact C-N 3.31Å; F124-R157 HydrophobicContact CB-CB 4.15Å; F124-R157 HydrophobicContact CD1-CB 4.5Å; F124-R157 HydrophobicContact CD2-CB 4.03Å; F124-R157 HydrophobicContact CD2-CG 3.79Å; F124-R157 VanDerWaalsContact CE2-CD 3.46Å; F124-R157 HydrophobicContact CE2-CG 4.09Å; F124-R157 HydrophobicContact CG-CB 3.94Å; F124-R157 HydrophobicContact CG-CG 4.19Å; F124-G172 CarbonylContact O-C 3.48Å; F124-G172 VanDerWaalsContact O-CA 3.24Å; F124-G172 WeakPolarHBondContact O-CA 3.28Å; F124-T173 WeakPolarHBondContact CD1-OG1 3.19Å; F124-T173 PolarHBondContact O-N 2.95Å; F124-T173 PolarHBondContact O-OG1 3.38Å
125G98.1Very high96Very high0 Ų036.2 Ų36.20%021%0.209CC..SBendtrans76.915.6-172.300000113.6N122 L127 G128 W171N122-G125 PolarHBondContact O-N 2.94Å; N122-G125 WeakPolarHBondContact OD1-CA 3.38Å; G125-L127 PolarHBondContact O-N 2.82Å; G125-G128 PolarHBondContact O-N 3.16Å; G125-W171 VanDerWaalsContact O-CD1 3.32Å
126Q98.3Very high96.1Very high0 Ų033.6 Ų33.60%020%0.199CC..THydrogen-bonded Turntrans-69.5-15.6-172.166-90.643.400114.5D105 F106 S121 N122 F124 G128 S159 W171D105-Q126 PolarHBondContact OD1-NE2 2.87Å; F106-Q126 HydrophobicContact CB-CG 4.29Å; F106-Q126 HydrophobicContact CD1-CB 4.29Å; F106-Q126 HydrophobicContact CD1-CG 3.48Å; F106-Q126 VanDerWaalsContact CD1-CG 3.48Å; F106-Q126 HydrophobicContact CD2-CG 4.11Å; F106-Q126 HydrophobicContact CE1-CB 3.98Å; F106-Q126 HydrophobicContact CE1-CG 3.67Å; F106-Q126 HydrophobicContact CE2-CB 4.3Å; F106-Q126 HydrophobicContact CE2-CG 4.31Å; F106-Q126 HydrophobicContact CG-CG 3.69Å; F106-Q126 HydrophobicContact CZ-CB 4Å; F106-Q126 HydrophobicContact CZ-CG 4.09Å; S121-Q126 VanDerWaalsContact O-CG 3.26Å; S121-Q126 WeakPolarHBondContact O-CG 3.35Å; S121-Q126 PolarHBondContact O-NE2 2.93Å; S121-Q126 PolarHBondContact OG-NE2 2.89Å; N122-Q126 VanDerWaalsContact C-OE1 3.31Å; N122-Q126 PolarHBondContact OD1-N 2.79Å; F124-Q126 VanDerWaalsContact C-N 3.31Å; Q126-G128 VanDerWaalsContact C-N 3.29Å; Q126-S159 PolarHBondContact O-OG 3.39Å; Q126-W171 PolarHBondContact O-NE1 2.83Å
127L98.6Very high96Very high0 Ų034 Ų340%020%0.204CC..THydrogen-bonded Turntrans-75.1-21169.8-54.5-172000112.2F106 A118 C119 S121 N122 G125 V129 V142F106-L127 HydrophobicContact CB-CD2 3.68Å; F106-L127 HydrophobicContact CD2-CD2 4.13Å; F106-L127 HydrophobicContact CG-CD2 4.27Å; A118-L127 HydrophobicContact CB-CB 4Å; A118-L127 HydrophobicContact CB-CD2 4.08Å; C119-L127 VanDerWaalsContact O-CD2 3.25Å; C119-L127 WeakPolarHBondContact O-CD2 3.47Å; S121-L127 WeakPolarHBondContact O-CD2 3.16Å; S121-L127 WeakPolarHBondContact O-CG 3.05Å; N122-L127 HydrophobicContact CB-CB 4.31Å; N122-L127 HydrophobicContact CB-CD1 3.78Å; N122-L127 HydrophobicContact CB-CG 3.75Å; N122-L127 WeakPolarHBondContact OD1-CB 3.33Å; N122-L127 PolarHBondContact OD1-N 2.89Å; G125-L127 PolarHBondContact O-N 2.82Å; L127-V129 HydrophobicContact CB-CG1 4.16Å; L127-V129 HydrophobicContact CB-CG2 3.82Å; L127-V129 HydrophobicContact CD1-CG2 4.24Å; L127-V129 PolarHBondContact O-N 3.36Å; L127-V142 WeakPolarHBondContact O-CG2 3.42Å
128G97.9Very high96Very high1 Ų139.8 Ų39.81%0.0123%0.23CC..  trans7415.2-178.800000113.9G125 Q126 W171 K195 L196 P197G125-G128 PolarHBondContact O-N 3.16Å; Q126-G128 VanDerWaalsContact C-N 3.29Å; G128-W171 VanDerWaalsContact CA-NE1 3.29Å; G128-W171 VanDerWaalsContact N-NE1 3.16Å; G128-K195 WeakPolarHBondContact CA-O 3.32Å; G128-L196 VanDerWaalsContact O-CD2 3.3Å; G128-L196 WeakPolarHBondContact O-CD2 3.28Å; G128-P197 WeakPolarHBondContact O-CD 3.46Å
129V95.4Very high95.9Very high12 Ų1241.7 Ų41.77%0.07324%0.24CC..  trans-101.5172.9-179.9-55.10000111.1L127 V133 L140 V142 L196L127-V129 HydrophobicContact CB-CG1 4.16Å; L127-V129 HydrophobicContact CB-CG2 3.82Å; L127-V129 HydrophobicContact CD1-CG2 4.24Å; L127-V129 PolarHBondContact O-N 3.36Å; V129-V133 HydrophobicContact CG2-CB 3.88Å; V129-V133 HydrophobicContact CG2-CG1 3.97Å; V129-V133 HydrophobicContact CG2-CG2 4.13Å; V129-L140 HydrophobicContact CB-CD1 4.48Å; V129-L140 HydrophobicContact CG1-CB 3.97Å; V129-L140 HydrophobicContact CG1-CD1 4.4Å; V129-L140 HydrophobicContact CG2-CD1 4.02Å; V129-V142 HydrophobicContact CG1-CG2 4.44Å; V129-L196 WeakPolarHBondContact O-CD2 3.45Å
130G85.1Confident95.8Very high39 Ų3943.9 Ų43.940%0.40225%0.251SS..  trans-47.2146.6-173.700000115.1T132 V133G130-T132 PolarHBondContact O-N 3.2Å; G130-V133 PolarHBondContact O-N 2.77Å; G130-V133 VanDerWaalsContact O-N 3.1Å
131Q81.3Confident95.7Very high151 Ų15145.5 Ų45.571%0.70627%0.265SS*.THydrogen-bonded Turntrans-63-16.7-169.4-64.6-175.7-3.800115.3
132T91.4Very high95.7Very high132 Ų13245.7 Ų45.781%0.8127%0.266SS*.THydrogen-bonded Turntrans-83.9-18.4179.851.80000113.1G130 T134G130-T132 PolarHBondContact O-N 3.2Å; T132-T134 PolarHBondContact O-N 2.94Å
133V95.3Very high95.6Very high41 Ų4152.6 Ų52.625%0.24830%0.298CS..  trans-78.1121178.3-179.80000108.7N122 V129 G130 H135 L140N122-V133 HydrophobicContact CB-CG1 4.45Å; N122-V133 WeakPolarHBondContact CB-O 3.23Å; N122-V133 PolarHBondContact ND2-O 3.46Å; V129-V133 HydrophobicContact CG2-CB 3.88Å; V129-V133 HydrophobicContact CG2-CG1 3.97Å; V129-V133 HydrophobicContact CG2-CG2 4.13Å; G130-V133 PolarHBondContact O-N 2.77Å; G130-V133 VanDerWaalsContact O-N 3.1Å; V133-H135 WeakPolarHBondContact CG1-O 3.26Å; V133-L140 HydrophobicContact CG1-CD1 3.98Å; V133-L140 HydrophobicContact CG2-CD1 4.39Å
134T95.8Very high95.6Very high95 Ų9551.9 Ų51.958%0.58329%0.292SS*.SBendtrans-95.6-29.8176.759.70000112.7N122 A123 T132N122-T134 CarbonylContact C-O 3.38Å; N122-T134 VanDerWaalsContact CA-O 3.32Å; N122-T134 WeakPolarHBondContact CA-O 3.17Å; N122-T134 WeakPolarHBondContact CB-O 3.13Å; N122-T134 PolarHBondContact N-O 2.96Å; A123-T134 PolarHBondContact N-O 3.02Å; T132-T134 PolarHBondContact O-N 2.94Å
135H97.8Very high95.6Very high75 Ų7550.2 Ų50.235%0.34729%0.286SS..EExtended strand (participates in β ladder)trans-165.4166.7171.965.8-69.2000108.7R73 G120 V133R73-H135 HydrophobicContact CB-CB 4.46Å; R73-H135 WeakPolarHBondContact O-CB 3.41Å; R73-H135 PolarHBondContact O-CD2 3.23Å; G120-H135 CarbonylContact O-C 3.59Å; G120-H135 WeakPolarHBondContact O-CA 3.35Å; G120-H135 VanDerWaalsContact O-CB 3.29Å; G120-H135 WeakPolarHBondContact O-CB 3.45Å; V133-H135 WeakPolarHBondContact CG1-O 3.26Å
136S97.8Very high95.4Very high17 Ų1758.6 Ų58.612%0.11932%0.322CS..EExtended strand (participates in β ladder)trans-148.6131.2176.3-173.70000111.5G74 G120 E138G74-S136 CarbonylContact C-O 3.57Å; G74-S136 VanDerWaalsContact O-O 3.14Å; G120-S136 PolarHBondContact N-O 2.83Å; G120-S136 PolarHBondContact O-N 2.87Å; S136-E138 WeakPolarHBondContact CB-O 3.3Å; S136-E138 PolarHBondContact OG-N 3.26Å; S136-E138 PolarHBondContact OG-O 2.78Å
137A97.9Very high95.3Very high14 Ų1462.3 Ų62.312%0.11634%0.34CS..EExtended strand (participates in β ladder)trans-88.6-11.7167.800000113G77 L78 G79 H80G77-A137 CarbonylContact C-O 3.04Å; G77-A137 WeakPolarHBondContact CA-O 3.37Å; L78-A137 PolarHBondContact N-O 3.28Å; G79-A137 WeakPolarHBondContact CA-O 3.29Å; G79-A137 PolarHBondContact N-O 3.41Å; H80-A137 WeakPolarHBondContact O-CB 3.33Å
138E96.9Very high95.3Very high132 Ų13265.7 Ų65.762%0.61736%0.362SS*.EExtended strand (participates in β ladder)trans-94.3152.7170.3-63.2-178.4174.300110.2S136 L140S136-E138 WeakPolarHBondContact CB-O 3.3Å; S136-E138 PolarHBondContact OG-N 3.26Å; S136-E138 PolarHBondContact OG-O 2.78Å; E138-L140 PolarHBondContact O-N 2.91Å
139L97.5Very high95.3Very high40 Ų4066 Ų6621%0.20936%0.363CS..EExtended strand (participates in β ladder)trans-74121.3174.9-66.6168.9000110.2V92 L109 L117 C119V92-L139 HydrophobicContact CB-CD1 4.19Å; V92-L139 HydrophobicContact CG1-CD1 4.21Å; V92-L139 HydrophobicContact CG2-CD1 3.74Å; L109-L139 HydrophobicContact CD1-CD1 4.02Å; L109-L139 HydrophobicContact CD1-CD2 3.6Å; L109-L139 HydrophobicContact CD1-CG 4.49Å; L109-L139 HydrophobicContact CG-CD2 4.33Å; L117-L139 HydrophobicContact CB-CB 4.49Å; L117-L139 HydrophobicContact CD1-CD1 4.49Å; C119-L139 HydrophobicContact CB-CD2 4.06Å
140L97.3Very high95.5Very high46 Ų4669.2 Ų69.224%0.24138%0.382CS..EExtended strand (participates in β ladder)trans-107.6135.9178.8-59.1-179.6000110.7L117 A118 V129 V133 E138L117-L140 CarbonylContact C-O 3.28Å; L117-L140 VanDerWaalsContact CA-O 3.29Å; L117-L140 WeakPolarHBondContact CA-O 3.39Å; A118-L140 PolarHBondContact N-O 3.22Å; A118-L140 PolarHBondContact O-N 2.83Å; V129-L140 HydrophobicContact CB-CD1 4.48Å; V129-L140 HydrophobicContact CG1-CB 3.97Å; V129-L140 HydrophobicContact CG1-CD1 4.4Å; V129-L140 HydrophobicContact CG2-CD1 4.02Å; V133-L140 HydrophobicContact CG1-CD1 3.98Å; V133-L140 HydrophobicContact CG2-CD1 4.39Å; E138-L140 PolarHBondContact O-N 2.91Å
141A96.7Very high96.1Very high34 Ų3467.6 Ų67.628%0.28137%0.365SS..EExtended strand (participates in β ladder)trans-74.1136173.500000111.7L117 E143L117-A141 HydrophobicContact CD2-CB 4.06Å; A141-E143 VanDerWaalsContact C-N 3.32Å; A141-E143 HydrophobicContact CB-CG 4.23Å; A141-E143 PolarHBondContact O-N 2.94Å; A141-E143 VanDerWaalsContact O-N 3.1Å
142V97.9Very high97Very high7 Ų760.9 Ų60.94%0.04234%0.335CS..  trans-85.674.8173.6-171.70000109.5L116 A118 L127 V129 A144 L145 P197L116-V142 HydrophobicContact CB-CB 4.21Å; L116-V142 HydrophobicContact CB-CG2 4.28Å; L116-V142 HydrophobicContact CD2-CB 4.27Å; L116-V142 HydrophobicContact CD2-CG2 4.03Å; L116-V142 HydrophobicContact CG-CB 4.38Å; L116-V142 HydrophobicContact CG-CG2 3.99Å; L116-V142 PolarHBondContact O-N 2.81Å; A118-V142 HydrophobicContact CB-CG2 4.04Å; L127-V142 WeakPolarHBondContact O-CG2 3.42Å; V129-V142 HydrophobicContact CG1-CG2 4.44Å; V142-A144 PolarHBondContact O-N 3.44Å; V142-A144 VanDerWaalsContact O-N 3.12Å; V142-L145 HydrophobicContact CG1-CD1 4.02Å; V142-L145 HydrophobicContact CG1-CG 4.35Å; V142-L145 PolarHBondContact O-N 2.9Å; V142-P197 HydrophobicContact CG1-CG 3.53Å
143E96.5Very high97.3Very high151 Ų15155 Ų5571%0.70630%0.299SS*.THydrogen-bonded Turntrans-66.2-15.3-171-61.3-172.7164.100115.2A141 L145 K146A141-E143 VanDerWaalsContact C-N 3.32Å; A141-E143 HydrophobicContact CB-CG 4.23Å; A141-E143 PolarHBondContact O-N 2.94Å; A141-E143 VanDerWaalsContact O-N 3.1Å; E143-L145 PolarHBondContact O-N 3.04Å; E143-K146 WeakPolarHBondContact O-CE 3.28Å; E143-K146 PolarHBondContact O-NZ 3.32Å
144A96.7Very high97.5Very high45 Ų4553.8 Ų53.837%0.37229%0.294SS..THydrogen-bonded Turntrans-68.9-21.9179.100000112.7V142 K146 P197V142-A144 PolarHBondContact O-N 3.44Å; V142-A144 VanDerWaalsContact O-N 3.12Å; A144-K146 PolarHBondContact O-N 2.87Å; A144-P197 HydrophobicContact CB-CB 4.33Å; A144-P197 HydrophobicContact CB-CG 3.94Å
145L96.9Very high97.6Very high23 Ų2349.5 Ų49.512%0.1227%0.268CS..  trans-82.5113.6172.9-67.5166.5000109L116 V142 E143 V149 A161 Y169 W171 P197L116-L145 HydrophobicContact CB-CD1 4.37Å; L116-L145 HydrophobicContact CD2-CD1 3.81Å; V142-L145 HydrophobicContact CG1-CD1 4.02Å; V142-L145 HydrophobicContact CG1-CG 4.35Å; V142-L145 PolarHBondContact O-N 2.9Å; E143-L145 PolarHBondContact O-N 3.04Å; L145-V149 HydrophobicContact CB-CG2 4.5Å; L145-V149 HydrophobicContact CD1-CG2 3.78Å; L145-A161 HydrophobicContact CD1-CB 4.31Å; L145-Y169 HydrophobicContact CD2-CD1 3.84Å; L145-Y169 HydrophobicContact CD2-CD2 3.76Å; L145-Y169 HydrophobicContact CD2-CE1 4.25Å; L145-Y169 HydrophobicContact CD2-CE2 4.2Å; L145-Y169 HydrophobicContact CD2-CG 3.58Å; L145-W171 HydrophobicContact CD1-CH2 4.17Å; L145-W171 HydrophobicContact CD1-CZ3 4.36Å; L145-P197 HydrophobicContact CD1-CG 4.26Å; L145-P197 HydrophobicContact CD2-CB 3.7Å; L145-P197 HydrophobicContact CD2-CG 4.24Å; L145-P197 HydrophobicContact CG-CB 3.88Å; L145-P197 HydrophobicContact CG-CG 3.86Å
146K94.8Very high97.6Very high175 Ų17547.7 Ų47.776%0.76126%0.261SS*.  trans-94.1-17.4-175.7-57.4-52.5-176.3-171.20113.9E143 A144E143-K146 WeakPolarHBondContact O-CE 3.28Å; E143-K146 PolarHBondContact O-NZ 3.32Å; A144-K146 PolarHBondContact O-N 2.87Å
147E96.4Very high97.6Very high79 Ų7951.7 Ų51.737%0.36927%0.273SS..SBendtrans-103.1149.2174.7-68.6-175.517500110.2V149 S163 S165E147-V149 PolarHBondContact O-N 2.71Å; E147-S163 VanDerWaalsContact OE2-CB 3.26Å; E147-S163 WeakPolarHBondContact OE2-CB 3Å; E147-S163 PolarHBondContact OE2-OG 3.36Å; E147-S165 VanDerWaalsContact OE2-CB 3.28Å; E147-S165 WeakPolarHBondContact OE2-CB 3.47Å; E147-S165 PolarHBondContact OE2-OG 2.74Å
148P98Very high97.7Very high71 Ų7151 Ų5146%0.46127%0.268SS..PPolyproline II helixtrans-54135.4171.6-24.934.5000111.2S163 A164P148-S163 CarbonylContact O-C 3.54Å; P148-S163 VanDerWaalsContact O-CA 3.3Å; P148-S163 WeakPolarHBondContact O-CA 3.19Å; P148-A164 HydrophobicContact CB-CB 4.32Å; P148-A164 PolarHBondContact O-N 2.83Å
149V98.6Very high97.8Very high6 Ų644.7 Ų44.74%0.03624%0.238CC..EExtended strand (participates in β ladder)trans-87.1141.8176175.80000109.6L110 G114 L145 E147 S151 A161 V162L110-V149 HydrophobicContact CD1-CB 3.64Å; L110-V149 HydrophobicContact CD1-CG1 3.76Å; L110-V149 HydrophobicContact CD2-CG1 4.24Å; G114-V149 WeakPolarHBondContact CA-O 3.26Å; G114-V149 PolarHBondContact O-N 3.33Å; L145-V149 HydrophobicContact CB-CG2 4.5Å; L145-V149 HydrophobicContact CD1-CG2 3.78Å; E147-V149 PolarHBondContact O-N 2.71Å; V149-S151 VanDerWaalsContact CG1-O 3.31Å; V149-S151 WeakPolarHBondContact CG1-O 3.18Å; V149-A161 HydrophobicContact CG1-CB 3.95Å; V149-A161 HydrophobicContact CG2-CB 4.3Å; V149-V162 CarbonylContact C-O 3.59Å; V149-V162 WeakPolarHBondContact CA-O 3.38Å; V149-V162 WeakPolarHBondContact CG1-O 3.38Å
150V98.4Very high97.8Very high80 Ų8042.8 Ų42.849%0.48523%0.228SC..EExtended strand (participates in β ladder)trans-119.1-19.5178.9-610000113.3V162 A164V150-V162 HydrophobicContact CG2-CB 4.07Å; V150-V162 HydrophobicContact CG2-CG1 3.81Å; V150-V162 WeakPolarHBondContact CG2-O 3.26Å; V150-V162 PolarHBondContact N-O 2.79Å; V150-A164 HydrophobicContact CG1-CB 4.07Å
151S98.6Very high97.9Very high5 Ų540.6 Ų40.64%0.03522%0.217CC..EExtended strand (participates in β ladder)trans-145.7143.7174.3-178.70000109.7V149 A161 V162 R209 V211V149-S151 VanDerWaalsContact CG1-O 3.31Å; V149-S151 WeakPolarHBondContact CG1-O 3.18Å; S151-A161 CarbonylContact O-C 3.56Å; S151-A161 VanDerWaalsContact O-CA 3.26Å; S151-A161 WeakPolarHBondContact O-CA 3.3Å; S151-V162 PolarHBondContact N-O 3.2Å; S151-V162 PolarHBondContact O-N 3.44Å; S151-R209 WeakPolarHBondContact CB-O 3.46Å; S151-V211 PolarHBondContact OG-N 3.26Å
152V98.8Very high98Very high11 Ų1139 Ų397%0.06720%0.204CC..EExtended strand (participates in β ladder)trans-134.6147.7176.461.60000109.7A101 L108 L110 L116 L160A101-V152 HydrophobicContact CB-CG1 3.94Å; A101-V152 HydrophobicContact CB-CG2 4.22Å; L108-V152 HydrophobicContact CB-CG2 3.89Å; L108-V152 HydrophobicContact CD1-CG2 3.35Å; L108-V152 HydrophobicContact CG-CG2 4.26Å; L110-V152 HydrophobicContact CB-CG1 4.18Å; L116-V152 HydrophobicContact CD1-CB 4.35Å; L116-V152 HydrophobicContact CD1-CG2 3.96Å; V152-L160 WeakPolarHBondContact CA-O 3.28Å
153A98.8Very high98Very high8 Ų838.8 Ų38.87%0.06620%0.202CC..EExtended strand (participates in β ladder)trans-141.9147.4168.300000110.5S159 L160 V211 A213A153-S159 WeakPolarHBondContact O-CA 3.48Å; A153-L160 HydrophobicContact CB-CB 4.36Å; A153-L160 PolarHBondContact N-O 3.02Å; A153-L160 PolarHBondContact O-N 2.9Å; A153-V211 HydrophobicContact CB-CB 4.44Å; A153-V211 HydrophobicContact CB-CG2 3.98Å; A153-V211 WeakPolarHBondContact CB-O 3.31Å; A153-A213 HydrophobicContact CB-CB 4.17Å
154A98.6Very high98Very high16 Ų1634.1 Ų34.113%0.13219%0.19CC..EExtended strand (participates in β ladder)trans-119.6121177.100000108.7A101 C102 G103 F106 L108A101-A154 HydrophobicContact CB-CB 4.05Å; C102-A154 VanDerWaalsContact C-CB 3.44Å; G103-A154 VanDerWaalsContact N-CB 3.33Å; F106-A154 HydrophobicContact CE1-CB 4.44Å; F106-A154 HydrophobicContact CE2-CB 3.77Å; F106-A154 HydrophobicContact CZ-CB 3.58Å; L108-A154 HydrophobicContact CD1-CB 4.25Å
155G98.3Very high98Very high5 Ų534.8 Ų34.85%0.05219%0.192CC..  trans-90.4-165.3170.400000111G103 F106 R157 H158 G214G103-G155 WeakPolarHBondContact CA-O 3.38Å; F106-G155 WeakPolarHBondContact CE1-O 3.48Å; G155-R157 VanDerWaalsContact C-N 3.34Å; G155-R157 PolarHBondContact O-N 3.33Å; G155-H158 PolarHBondContact N-O 2.73Å; G155-G214 VanDerWaalsContact CA-O 3.24Å; G155-G214 WeakPolarHBondContact CA-O 3.37Å
156L98.3Very high98Very high37 Ų3734 Ų3419%0.19419%0.189CC..SBendtrans-58.3-45-179.8-173.676.9000112.4W104 G214 W268W104-L156 HydrophobicContact CB-CD1 3.79Å; W104-L156 HydrophobicContact CB-CG 4.35Å; W104-L156 VanDerWaalsContact CB-O 3.22Å; W104-L156 WeakPolarHBondContact CB-O 3.4Å; W104-L156 HydrophobicContact CD2-CD1 3.93Å; W104-L156 HydrophobicContact CE3-CD1 3.88Å; W104-L156 HydrophobicContact CG-CD1 3.94Å; L156-G214 PolarHBondContact N-O 3.25Å; L156-W268 HydrophobicContact CD1-CD2 4.47Å; L156-W268 HydrophobicContact CD1-CH2 3.68Å; L156-W268 HydrophobicContact CD1-CZ2 3.5Å; L156-W268 VanDerWaalsContact CD1-CZ2 3.5Å; L156-W268 HydrophobicContact CD1-CZ3 4.27Å
157R98.3Very high98.1Very high100 Ų10028 Ų2838%0.37717%0.169SC..SBendtrans-147.226.8-173.8-68.3171.9-176.3-171.75.2112.9F124 G155 G174F124-R157 HydrophobicContact CB-CB 4.15Å; F124-R157 HydrophobicContact CD1-CB 4.5Å; F124-R157 HydrophobicContact CD2-CB 4.03Å; F124-R157 HydrophobicContact CD2-CG 3.79Å; F124-R157 VanDerWaalsContact CE2-CD 3.46Å; F124-R157 HydrophobicContact CE2-CG 4.09Å; F124-R157 HydrophobicContact CG-CB 3.94Å; F124-R157 HydrophobicContact CG-CG 4.19Å; G155-R157 VanDerWaalsContact C-N 3.34Å; G155-R157 PolarHBondContact O-N 3.33Å; R157-G174 PolarHBondContact O-N 2.84Å; R157-G174 VanDerWaalsContact O-N 3.17Å
158H98.8Very high98.2Very high0 Ų024.4 Ų24.40%015%0.152CC..  trans-154.3165.4-179.275-75.5000109.7G155 W171 L175 G214 C218G155-H158 PolarHBondContact N-O 2.73Å; H158-W171 CarbonylContact C-O 3.5Å; H158-W171 VanDerWaalsContact CA-O 3.31Å; H158-W171 WeakPolarHBondContact CA-O 3.28Å; H158-W171 WeakPolarHBondContact CB-O 3.5Å; H158-L175 HydrophobicContact CB-CD1 4.18Å; H158-L175 VanDerWaalsContact CE1-CD1 3.44Å; H158-L175 WeakPolarHBondContact CE1-CD1 3.48Å; H158-L175 VanDerWaalsContact CG-CD1 3.49Å; H158-L175 VanDerWaalsContact ND1-CD1 3.26Å; H158-L175 WeakPolarHBondContact ND1-CD1 3.41Å; H158-G214 PolarHBondContact CE1-O 3.08Å; H158-C218 PolarHBondContact NE2-SG 3.02Å; H158-C218 VanDerWaalsContact NE2-SG 3.38Å
159S98.9Very high98.2Very high0 Ų022.9 Ų22.90%014%0.138CC..EExtended strand (participates in β ladder)trans-138.2150-172.6-58.60000110.1F106 Q126 A153 Q170 W171F106-S159 WeakPolarHBondContact CE2-OG 3.46Å; F106-S159 WeakPolarHBondContact CZ-OG 3.26Å; Q126-S159 PolarHBondContact O-OG 3.39Å; A153-S159 WeakPolarHBondContact O-CA 3.48Å; S159-Q170 WeakPolarHBondContact O-CA 3.23Å; S159-W171 VanDerWaalsContact CB-NE1 3.33Å; S159-W171 PolarHBondContact N-O 3.1Å; S159-W171 PolarHBondContact O-N 3.24Å; S159-W171 VanDerWaalsContact O-N 3.07Å
160L98.9Very high98.2Very high0 Ų022.6 Ų22.60%014%0.136CC..EExtended strand (participates in β ladder)trans-128.2146.2176.7-60.2173.6000109.8V152 A153 Y169 Q170 V211 T212 A213 C218 W230V152-L160 WeakPolarHBondContact CA-O 3.28Å; A153-L160 HydrophobicContact CB-CB 4.36Å; A153-L160 PolarHBondContact N-O 3.02Å; A153-L160 PolarHBondContact O-N 2.9Å; L160-Y169 VanDerWaalsContact CA-O 3.3Å; L160-Y169 WeakPolarHBondContact CA-O 3.4Å; L160-Q170 HydrophobicContact CD2-CB 3.62Å; L160-Q170 HydrophobicContact CD2-CG 3.7Å; L160-V211 HydrophobicContact CB-CB 3.95Å; L160-V211 HydrophobicContact CB-CG1 4.34Å; L160-V211 HydrophobicContact CB-CG2 3.77Å; L160-V211 HydrophobicContact CD1-CB 4.11Å; L160-T212 WeakPolarHBondContact CD1-O 3.31Å; L160-A213 HydrophobicContact CD1-CB 4.11Å; L160-C218 HydrophobicContact CD1-CB 3.76Å; L160-C218 HydrophobicContact CD2-CB 4.49Å; L160-W230 HydrophobicContact CD1-CZ2 4.41Å; L160-W230 HydrophobicContact CD2-CZ2 3.91Å
161A98.8Very high98.2Very high0 Ų018.8 Ų18.80%011%0.113CC..EExtended strand (participates in β ladder)trans-139.9151168.100000111.5L145 V149 S151 V168 Y169 W171L145-A161 HydrophobicContact CD1-CB 4.31Å; V149-A161 HydrophobicContact CG1-CB 3.95Å; V149-A161 HydrophobicContact CG2-CB 4.3Å; S151-A161 CarbonylContact O-C 3.56Å; S151-A161 VanDerWaalsContact O-CA 3.26Å; S151-A161 WeakPolarHBondContact O-CA 3.3Å; A161-V168 CarbonylContact O-C 3.46Å; A161-V168 WeakPolarHBondContact O-CA 3.41Å; A161-Y169 PolarHBondContact N-O 2.85Å; A161-Y169 PolarHBondContact O-N 2.88Å; A161-W171 HydrophobicContact CB-CH2 3.74Å; A161-W171 HydrophobicContact CB-CZ3 3.75Å
162V98.7Very high98.2Very high0 Ų018.6 Ų18.60%011%0.111CC..EExtended strand (participates in β ladder)trans-111.1126.5167.7-177.30000107.8V149 V150 S151 S167 V168 A208 V211V149-V162 CarbonylContact C-O 3.59Å; V149-V162 WeakPolarHBondContact CA-O 3.38Å; V149-V162 WeakPolarHBondContact CG1-O 3.38Å; V150-V162 HydrophobicContact CG2-CB 4.07Å; V150-V162 HydrophobicContact CG2-CG1 3.81Å; V150-V162 WeakPolarHBondContact CG2-O 3.26Å; V150-V162 PolarHBondContact N-O 2.79Å; S151-V162 PolarHBondContact N-O 3.2Å; S151-V162 PolarHBondContact O-N 3.44Å; V162-S167 CarbonylContact C-O 3.58Å; V162-S167 WeakPolarHBondContact CA-O 3.36Å; V162-V168 HydrophobicContact CG2-CG2 4.37Å; V162-A208 HydrophobicContact CG1-CB 3.82Å; V162-A208 VanDerWaalsContact CG1-O 3.29Å; V162-A208 WeakPolarHBondContact CG1-O 3.35Å; V162-A208 HydrophobicContact CG2-CB 4.12Å; V162-V211 HydrophobicContact CG2-CB 4.27Å; V162-V211 HydrophobicContact CG2-CG1 3.49Å; V162-V211 VanDerWaalsContact CG2-CG1 3.49Å; V162-V211 HydrophobicContact CG2-CG2 4.01Å
163S98.1Very high98.1Very high2 Ų219.2 Ų19.21%0.01412%0.115CC..EExtended strand (participates in β ladder)trans-81.5167.8172.273.90000112.1E147 P148 S165 G166 S167E147-S163 VanDerWaalsContact OE2-CB 3.26Å; E147-S163 WeakPolarHBondContact OE2-CB 3Å; E147-S163 PolarHBondContact OE2-OG 3.36Å; P148-S163 CarbonylContact O-C 3.54Å; P148-S163 VanDerWaalsContact O-CA 3.3Å; P148-S163 WeakPolarHBondContact O-CA 3.19Å; S163-S165 PolarHBondContact O-N 2.82Å; S163-S165 VanDerWaalsContact O-N 3.16Å; S163-S165 PolarHBondContact OG-OG 3.41Å; S163-G166 WeakPolarHBondContact O-CA 3.3Å; S163-G166 PolarHBondContact O-N 2.97Å; S163-S167 PolarHBondContact N-O 2.96Å; S163-S167 WeakPolarHBondContact OG-CB 3.48Å; S163-S167 PolarHBondContact OG-N 2.83Å
164A96.8Very high98Very high54 Ų5419.4 Ų19.445%0.44612%0.118SC..THydrogen-bonded Turntrans-60-23.7177.700000113.6P148 V150 G166P148-A164 HydrophobicContact CB-CB 4.32Å; P148-A164 PolarHBondContact O-N 2.83Å; V150-A164 HydrophobicContact CG1-CB 4.07Å; A164-G166 PolarHBondContact O-N 3.47Å
165S95.8Very high97.9Very high59 Ų5918.7 Ų18.741%0.41311%0.112SC..THydrogen-bonded Turntrans-77.8-7.8172.366.50000113.7E147 S163 S167E147-S165 VanDerWaalsContact OE2-CB 3.28Å; E147-S165 WeakPolarHBondContact OE2-CB 3.47Å; E147-S165 PolarHBondContact OE2-OG 2.74Å; S163-S165 PolarHBondContact O-N 2.82Å; S163-S165 VanDerWaalsContact O-N 3.16Å; S163-S165 PolarHBondContact OG-OG 3.41Å; S165-S167 PolarHBondContact OG-OG 2.69Å; S165-S167 VanDerWaalsContact OG-OG 3.11Å
166G96.8Very high97.8Very high5 Ų521.4 Ų21.45%0.05212%0.123CC..SBendtrans85.811-173.700000114S163 A164 A208S163-G166 WeakPolarHBondContact O-CA 3.3Å; S163-G166 PolarHBondContact O-N 2.97Å; A164-G166 PolarHBondContact O-N 3.47Å; G166-A208 VanDerWaalsContact O-CB 3.24Å; G166-A208 WeakPolarHBondContact O-CB 3.28Å; G166-A208 PolarHBondContact O-N 3.26Å
167S97.3Very high97.7Very high49 Ų4922.4 Ų22.434%0.34313%0.133SC..  trans-76.5135.6176-61.20000111V162 S163 S165V162-S167 CarbonylContact C-O 3.58Å; V162-S167 WeakPolarHBondContact CA-O 3.36Å; S163-S167 PolarHBondContact N-O 2.96Å; S163-S167 WeakPolarHBondContact OG-CB 3.48Å; S163-S167 PolarHBondContact OG-N 2.83Å; S165-S167 PolarHBondContact OG-OG 2.69Å; S165-S167 VanDerWaalsContact OG-OG 3.11Å
168V98.5Very high97.6Very high5 Ų520.2 Ų20.23%0.0313%0.126CC..EExtended strand (participates in β ladder)trans-98.2131.8178.5-176.20000110.5A161 V162 V200 L203 A208 V211 W230A161-V168 CarbonylContact O-C 3.46Å; A161-V168 WeakPolarHBondContact O-CA 3.41Å; V162-V168 HydrophobicContact CG2-CG2 4.37Å; V168-V200 HydrophobicContact CB-CB 4.27Å; V168-V200 HydrophobicContact CB-CG2 4.42Å; V168-V200 HydrophobicContact CG1-CB 4.23Å; V168-V200 HydrophobicContact CG1-CG2 3.91Å; V168-V200 PolarHBondContact O-N 2.97Å; V168-L203 HydrophobicContact CB-CD1 3.83Å; V168-L203 HydrophobicContact CG1-CD1 4.43Å; V168-L203 HydrophobicContact CG2-CD1 3.59Å; V168-A208 HydrophobicContact CG2-CB 3.47Å; V168-A208 VanDerWaalsContact CG2-CB 3.47Å; V168-V211 HydrophobicContact CG1-CG1 4.06Å; V168-W230 HydrophobicContact CG1-CH2 4.26Å
169Y98.6Very high97.5Very high39 Ų3920.2 Ų20.215%0.15313%0.126CC..EExtended strand (participates in β ladder)trans-116.5143.9174.6-64.7-98.7000110.1L145 L160 A161 P197 C198 P199L145-Y169 HydrophobicContact CD2-CD1 3.84Å; L145-Y169 HydrophobicContact CD2-CD2 3.76Å; L145-Y169 HydrophobicContact CD2-CE1 4.25Å; L145-Y169 HydrophobicContact CD2-CE2 4.2Å; L145-Y169 HydrophobicContact CD2-CG 3.58Å; L160-Y169 VanDerWaalsContact CA-O 3.3Å; L160-Y169 WeakPolarHBondContact CA-O 3.4Å; A161-Y169 PolarHBondContact N-O 2.85Å; A161-Y169 PolarHBondContact O-N 2.88Å; Y169-P197 HydrophobicContact CD1-CB 4.26Å; Y169-C198 CarbonylContact C-O 3.51Å; Y169-C198 WeakPolarHBondContact CA-O 3.22Å; Y169-P199 HydrophobicContact CD1-CG 4.15Å; Y169-P199 HydrophobicContact CE1-CB 4.45Å; Y169-P199 HydrophobicContact CE1-CG 3.77Å
170Q98.6Very high97.4Very high0 Ų026.9 Ų26.90%016%0.155CC..EExtended strand (participates in β ladder)trans-130143.6172.9179.5178.4-31.900110.2S159 L160 H191 C198 V200S159-Q170 WeakPolarHBondContact O-CA 3.23Å; L160-Q170 HydrophobicContact CD2-CB 3.62Å; L160-Q170 HydrophobicContact CD2-CG 3.7Å; Q170-H191 PolarHBondContact NE2-O 2.84Å; Q170-C198 PolarHBondContact N-O 2.72Å; Q170-C198 WeakPolarHBondContact O-CB 3.4Å; Q170-C198 PolarHBondContact O-N 2.78Å; Q170-V200 HydrophobicContact CB-CG2 3.62Å
171W98.6Very high97.2Very high0 Ų034.4 Ų34.40%018%0.184CC..EExtended strand (participates in β ladder)trans-152.2170.1169.162.793.7000111.5L108 L116 G125 Q126 G128 L145 H158 S159 A161 S194 L196 P197L108-W171 HydrophobicContact CD1-CZ2 4.45Å; L116-W171 HydrophobicContact CD2-CH2 3.59Å; L116-W171 HydrophobicContact CD2-CZ2 3.68Å; G125-W171 VanDerWaalsContact O-CD1 3.32Å; Q126-W171 PolarHBondContact O-NE1 2.83Å; G128-W171 VanDerWaalsContact CA-NE1 3.29Å; G128-W171 VanDerWaalsContact N-NE1 3.16Å; L145-W171 HydrophobicContact CD1-CH2 4.17Å; L145-W171 HydrophobicContact CD1-CZ3 4.36Å; H158-W171 CarbonylContact C-O 3.5Å; H158-W171 VanDerWaalsContact CA-O 3.31Å; H158-W171 WeakPolarHBondContact CA-O 3.28Å; H158-W171 WeakPolarHBondContact CB-O 3.5Å; S159-W171 VanDerWaalsContact CB-NE1 3.33Å; S159-W171 PolarHBondContact N-O 3.1Å; S159-W171 PolarHBondContact O-N 3.24Å; S159-W171 VanDerWaalsContact O-N 3.07Å; A161-W171 HydrophobicContact CB-CH2 3.74Å; A161-W171 HydrophobicContact CB-CZ3 3.75Å; W171-S194 CarbonylContact C-O 3.56Å; W171-S194 WeakPolarHBondContact CA-O 3.46Å; W171-L196 VanDerWaalsContact CB-O 3.29Å; W171-L196 WeakPolarHBondContact CB-O 3.37Å; W171-P197 HydrophobicContact CD2-CB 4.35Å; W171-P197 HydrophobicContact CD2-CG 3.9Å; W171-P197 HydrophobicContact CE3-CB 3.84Å; W171-P197 HydrophobicContact CE3-CG 3.81Å; W171-P197 HydrophobicContact CG-CG 4.36Å; W171-P197 HydrophobicContact CZ3-CB 4.29Å; W171-P197 HydrophobicContact CZ3-CG 4.24Å
172G98.1Very high97.1Very high0 Ų036.8 Ų36.80%020%0.203CC..  trans88.3141.5-169.400000111.9F124 G174 S194F124-G172 CarbonylContact O-C 3.48Å; F124-G172 VanDerWaalsContact O-CA 3.24Å; F124-G172 WeakPolarHBondContact O-CA 3.28Å; G172-G174 PolarHBondContact O-N 2.87Å; G172-S194 PolarHBondContact N-O 3.28Å
173T97.1Very high96.9Very high24 Ų2438.4 Ų38.415%0.14721%0.212CC..SBendtrans-95.517-172.262.90000113.8F124 L175 F176 N193 K195F124-T173 WeakPolarHBondContact CD1-OG1 3.19Å; F124-T173 PolarHBondContact O-N 2.95Å; F124-T173 PolarHBondContact O-OG1 3.38Å; T173-L175 PolarHBondContact O-N 3.44Å; T173-F176 VanDerWaalsContact O-CB 3.32Å; T173-F176 WeakPolarHBondContact O-CB 3.15Å; T173-F176 PolarHBondContact O-N 2.98Å; T173-N193 WeakPolarHBondContact CG2-O 3.41Å; T173-N193 WeakPolarHBondContact CG2-OD1 3.43Å; T173-K195 HydrophobicContact CG2-CG 4.29Å
174G96.1Very high96.6Very high13 Ų1342.5 Ų42.513%0.13424%0.24CC..THydrogen-bonded Turntrans-54.8-34.9179.500000114.3R157 G172R157-G174 PolarHBondContact O-N 2.84Å; R157-G174 VanDerWaalsContact O-N 3.17Å; G172-G174 PolarHBondContact O-N 2.87Å
175L96.9Very high96.5Very high0 Ų045.5 Ų45.50%026%0.256CS..THydrogen-bonded Turntrans-87-14.9179.4-81.267.9000113.2H158 T173 S177 H178 A179 L192 A216H158-L175 HydrophobicContact CB-CD1 4.18Å; H158-L175 VanDerWaalsContact CE1-CD1 3.44Å; H158-L175 WeakPolarHBondContact CE1-CD1 3.48Å; H158-L175 VanDerWaalsContact CG-CD1 3.49Å; H158-L175 VanDerWaalsContact ND1-CD1 3.26Å; H158-L175 WeakPolarHBondContact ND1-CD1 3.41Å; T173-L175 PolarHBondContact O-N 3.44Å; L175-S177 VanDerWaalsContact C-N 3.33Å; L175-S177 PolarHBondContact O-N 3.38Å; L175-H178 WeakPolarHBondContact O-CB 3.44Å; L175-H178 PolarHBondContact O-N 2.8Å; L175-A179 PolarHBondContact O-N 3.42Å; L175-L192 HydrophobicContact CB-CD2 4.37Å; L175-L192 HydrophobicContact CD2-CD2 4.05Å; L175-A216 HydrophobicContact CG-CB 4.36Å; L175-A216 WeakPolarHBondContact CG-O 3.43Å
176F96.7Very high96.4Very high63 Ų6349.2 Ų49.228%0.27627%0.266SS..Hα-helixtrans-60.8-40.7-167.6-178.2-123.3000112.9T173 H178 A179 K180 A188 N193T173-F176 VanDerWaalsContact O-CB 3.32Å; T173-F176 WeakPolarHBondContact O-CB 3.15Å; T173-F176 PolarHBondContact O-N 2.98Å; F176-H178 VanDerWaalsContact C-N 3.32Å; F176-H178 PolarHBondContact O-N 2.83Å; F176-A179 PolarHBondContact O-N 3.3Å; F176-K180 WeakPolarHBondContact O-CB 3.24Å; F176-K180 PolarHBondContact O-N 3.45Å; F176-A188 HydrophobicContact CD2-CB 4.13Å; F176-A188 HydrophobicContact CE2-CB 3.98Å; F176-N193 WeakPolarHBondContact CD1-OD1 3.38Å; F176-N193 HydrophobicContact CD2-CB 3.48Å; F176-N193 VanDerWaalsContact CD2-CB 3.48Å; F176-N193 HydrophobicContact CE2-CB 3.73Å; F176-N193 HydrophobicContact CG-CB 4.05Å; F176-N193 WeakPolarHBondContact CG-OD1 3.49Å; F176-N193 HydrophobicContact CZ-CB 4.48Å
177S96Very high96.3Very high57 Ų5754.6 Ų54.640%0.39930%0.3SS..Hα-helixtrans-66.8-34.7179.1770000112.5L175 R181L175-S177 VanDerWaalsContact C-N 3.33Å; L175-S177 PolarHBondContact O-N 3.38Å; S177-R181 WeakPolarHBondContact O-CG 3.3Å; S177-R181 PolarHBondContact O-N 2.93Å; S177-R181 PolarHBondContact O-NH1 2.63Å; S177-R181 PolarHBondContact OG-NH1 3.17Å
178H95.7Very high96.2Very high54 Ų5453.4 Ų53.425%0.2529%0.293CS..Hα-helixtrans-69-46.2175.4-69.4-115.4000110.1L175 F176 R181 A182 S232 F244L175-H178 WeakPolarHBondContact O-CB 3.44Å; L175-H178 PolarHBondContact O-N 2.8Å; F176-H178 VanDerWaalsContact C-N 3.32Å; F176-H178 PolarHBondContact O-N 2.83Å; H178-R181 PolarHBondContact O-N 3.06Å; H178-A182 WeakPolarHBondContact O-CB 3.15Å; H178-A182 PolarHBondContact O-N 3.38Å; H178-S232 PolarHBondContact ND1-OG 2.93Å; H178-F244 HydrophobicContact CB-CD2 4.17Å; H178-F244 HydrophobicContact CB-CE2 3.78Å
179A96.4Very high96.1Very high0 Ų054.9 Ų54.90%030%0.303CS..Hα-helixtrans-59.3-47.9176.600000111.8L175 F176 R181 A182 L183 A188 L192 F244L175-A179 PolarHBondContact O-N 3.42Å; F176-A179 PolarHBondContact O-N 3.3Å; A179-R181 VanDerWaalsContact C-N 3.34Å; A179-R181 PolarHBondContact O-N 2.86Å; A179-A182 PolarHBondContact O-N 3.31Å; A179-L183 HydrophobicContact CB-CD1 4.2Å; A179-L183 VanDerWaalsContact O-CB 3.29Å; A179-L183 WeakPolarHBondContact O-CB 3.48Å; A179-L183 VanDerWaalsContact O-CG 3.26Å; A179-L183 WeakPolarHBondContact O-CG 3.15Å; A179-L183 PolarHBondContact O-N 3.38Å; A179-A188 HydrophobicContact CB-CB 3.78Å; A179-L192 HydrophobicContact CB-CD1 3.74Å; A179-F244 HydrophobicContact CB-CE1 3.78Å; A179-F244 HydrophobicContact CB-CE2 4.22Å; A179-F244 HydrophobicContact CB-CZ 3.53Å
180K96.5Very high95.9Very high140 Ų14057.1 Ų57.161%0.60932%0.324SS*.Hα-helixtrans-60.3-41.5-179.7-172.1179.6-178.8-178.40112.3F176 S184F176-K180 WeakPolarHBondContact O-CB 3.24Å; F176-K180 PolarHBondContact O-N 3.45Å; K180-S184 WeakPolarHBondContact O-CB 3.47Å; K180-S184 PolarHBondContact O-N 3.39Å
181R95.9Very high95.8Very high159 Ų15957.2 Ų57.260%0.633%0.325SS*.Hα-helixtrans-67.1-43.7176.7-72.9-169.7-55.9-87.1-0.6111.8S177 H178 A179S177-R181 WeakPolarHBondContact O-CG 3.3Å; S177-R181 PolarHBondContact O-N 2.93Å; S177-R181 PolarHBondContact O-NH1 2.63Å; S177-R181 PolarHBondContact OG-NH1 3.17Å; H178-R181 PolarHBondContact O-N 3.06Å; A179-R181 VanDerWaalsContact C-N 3.34Å; A179-R181 PolarHBondContact O-N 2.86Å
182A95.4Very high95.7Very high49 Ų4957.2 Ų57.241%0.40533%0.325SS..Hα-helixtrans-77.1-31.7-173.900000113.9H178 A179 F244H178-A182 WeakPolarHBondContact O-CB 3.15Å; H178-A182 PolarHBondContact O-N 3.38Å; A179-A182 PolarHBondContact O-N 3.31Å; A182-F244 HydrophobicContact CB-CB 3.35Å; A182-F244 HydrophobicContact CB-CD1 4.37Å; A182-F244 HydrophobicContact CB-CD2 4.25Å; A182-F244 HydrophobicContact CB-CG 3.76Å
183L94.9Very high95.6Very high34 Ų3460.6 Ų60.618%0.17834%0.343CS..Hα-helixtrans-96-9.4-174.1-58.7171.6000113.5A179 H186 A188 F244 P246A179-L183 HydrophobicContact CB-CD1 4.2Å; A179-L183 VanDerWaalsContact O-CB 3.29Å; A179-L183 WeakPolarHBondContact O-CB 3.48Å; A179-L183 VanDerWaalsContact O-CG 3.26Å; A179-L183 WeakPolarHBondContact O-CG 3.15Å; A179-L183 PolarHBondContact O-N 3.38Å; L183-H186 WeakPolarHBondContact O-CA 3.42Å; L183-H186 VanDerWaalsContact O-CB 3.3Å; L183-H186 WeakPolarHBondContact O-CB 3.33Å; L183-H186 PolarHBondContact O-N 3.29Å; L183-H186 PolarHBondContact O-ND1 3.29Å; L183-A188 HydrophobicContact CD1-CB 4.16Å; L183-F244 HydrophobicContact CD1-CE1 4.46Å; L183-F244 HydrophobicContact CD2-CD1 4.47Å; L183-F244 HydrophobicContact CG-CD1 4.47Å; L183-P246 HydrophobicContact CD1-CB 3.98Å; L183-P246 HydrophobicContact CD2-CB 4.08Å; L183-P246 HydrophobicContact CD2-CG 4.12Å
184S93.1Very high95.6Very high88 Ų8860.9 Ų60.962%0.61535%0.346SS*.THydrogen-bonded Turntrans-51.8130.7-177.7-179.20000111.7K180K180-S184 WeakPolarHBondContact O-CB 3.47Å; K180-S184 PolarHBondContact O-N 3.39Å
185P94.2Very high95.7Very high118 Ų11864.3 Ų64.377%0.76636%0.357SS*.THydrogen-bonded Turncis-89.82.911.236-36.9000115.5
186H93.9Very high95.7Very high136 Ų13667.4 Ų67.463%0.6337%0.373SS*.SBendtrans-74145.9-177.5-55.491.4000111.9L183L183-H186 WeakPolarHBondContact O-CA 3.42Å; L183-H186 VanDerWaalsContact O-CB 3.3Å; L183-H186 WeakPolarHBondContact O-CB 3.33Å; L183-H186 PolarHBondContact O-N 3.29Å; L183-H186 PolarHBondContact O-ND1 3.29Å
187P94.1Very high95.8Very high119 Ų11965.2 Ų65.277%0.77337%0.366SS*.PPolyproline II helixtrans-66.8143.7177.327.9-34.3000111.4
188A95Very high95.9Very high23 Ų2363.5 Ų63.519%0.1935%0.353CS..PPolyproline II helixtrans-71.6143.2172.300000110.9F176 A179 L183F176-A188 HydrophobicContact CD2-CB 4.13Å; F176-A188 HydrophobicContact CE2-CB 3.98Å; A179-A188 HydrophobicContact CB-CB 3.78Å; L183-A188 HydrophobicContact CD1-CB 4.16Å
189P95.9Very high95.9Very high36 Ų3664.8 Ų64.823%0.23437%0.366CS..PPolyproline II helixtrans-53.1145.1173.1-27.732.9000113.5H191 L192 P246P189-H191 VanDerWaalsContact C-N 3.33Å; P189-H191 WeakPolarHBondContact CB-CE1 3.38Å; P189-H191 WeakPolarHBondContact CB-ND1 3.41Å; P189-H191 PolarHBondContact O-N 3.27Å; P189-L192 HydrophobicContact CB-CD1 4.46Å; P189-L192 HydrophobicContact CB-CG 4.45Å; P189-L192 HydrophobicContact CG-CD1 4.29Å; P189-L192 PolarHBondContact O-N 2.92Å; P189-L192 VanDerWaalsContact O-N 3.11Å; P189-P246 HydrophobicContact CG-CB 3.84Å
190S95.6Very high96Very high86 Ų8665.3 Ų65.360%0.60137%0.37SS*.G310 helixtrans-58-40-175.552.60000113.7L192 N193 S194S190-L192 PolarHBondContact O-N 3.3Å; S190-L192 VanDerWaalsContact O-N 3.15Å; S190-N193 CarbonylContact O-C 3.48Å; S190-N193 PolarHBondContact O-N 2.97Å; S190-S194 PolarHBondContact O-N 3.16Å
191H96Very high95.9Very high2 Ų261.7 Ų61.71%0.00936%0.36CS..G310 helixtrans-62.2-21.4-179.768.6-87.5000113.6Q170 P189 C198 P201 P246Q170-H191 PolarHBondContact NE2-O 2.84Å; P189-H191 VanDerWaalsContact C-N 3.33Å; P189-H191 WeakPolarHBondContact CB-CE1 3.38Å; P189-H191 WeakPolarHBondContact CB-ND1 3.41Å; P189-H191 PolarHBondContact O-N 3.27Å; H191-C198 HydrophobicContact CB-CB 4.16Å; H191-P201 WeakPolarHBondContact ND1-CD 3.07Å; H191-P246 PolarHBondContact CE1-O 2.66Å; H191-P246 VanDerWaalsContact CE1-O 3.26Å; H191-P246 PolarHBondContact NE2-O 3.38Å
192L97.1Very high95.7Very high0 Ų057.3 Ų57.30%036%0.364CS..G310 helixtrans-84.7-11.1176.1-57.5-179.7000113.5L175 A179 P189 S190 F244L175-L192 HydrophobicContact CB-CD2 4.37Å; L175-L192 HydrophobicContact CD2-CD2 4.05Å; A179-L192 HydrophobicContact CB-CD1 3.74Å; P189-L192 HydrophobicContact CB-CD1 4.46Å; P189-L192 HydrophobicContact CB-CG 4.45Å; P189-L192 HydrophobicContact CG-CD1 4.29Å; P189-L192 PolarHBondContact O-N 2.92Å; P189-L192 VanDerWaalsContact O-N 3.11Å; S190-L192 PolarHBondContact O-N 3.3Å; S190-L192 VanDerWaalsContact O-N 3.15Å; L192-F244 HydrophobicContact CD1-CE1 3.87Å; L192-F244 HydrophobicContact CD1-CZ 3.9Å
193N95.8Very high95.6Very high72 Ų7255.3 Ų55.339%0.38535%0.347SS..THydrogen-bonded Turntrans-125.24.2-177.6-166.633.9000113.2T173 F176 S190T173-N193 WeakPolarHBondContact CG2-O 3.41Å; T173-N193 WeakPolarHBondContact CG2-OD1 3.43Å; F176-N193 WeakPolarHBondContact CD1-OD1 3.38Å; F176-N193 HydrophobicContact CD2-CB 3.48Å; F176-N193 VanDerWaalsContact CD2-CB 3.48Å; F176-N193 HydrophobicContact CE2-CB 3.73Å; F176-N193 HydrophobicContact CG-CB 4.05Å; F176-N193 WeakPolarHBondContact CG-OD1 3.49Å; F176-N193 HydrophobicContact CZ-CB 4.48Å; S190-N193 CarbonylContact O-C 3.48Å; S190-N193 PolarHBondContact O-N 2.97Å
194S96.9Very high94.8Very high30 Ų3057.8 Ų57.821%0.2138%0.381CS..  trans-79.1133.7-177.5-169.90000111.1W171 G172 S190 L196W171-S194 CarbonylContact C-O 3.56Å; W171-S194 WeakPolarHBondContact CA-O 3.46Å; G172-S194 PolarHBondContact N-O 3.28Å; S190-S194 PolarHBondContact O-N 3.16Å; S194-L196 VanDerWaalsContact C-N 3.33Å; S194-L196 VanDerWaalsContact CB-O 3.29Å; S194-L196 WeakPolarHBondContact CB-O 3.42Å; S194-L196 PolarHBondContact OG-N 2.92Å; S194-L196 PolarHBondContact OG-O 2.9Å
195K97.2Very high94.3Very high84 Ų8462.2 Ų62.237%0.36539%0.392SS..SBendtrans-86.5-6.1169.9-65.2-168.1176.3-171.30113.4G128 T173G128-K195 WeakPolarHBondContact CA-O 3.32Å; T173-K195 HydrophobicContact CG2-CG 4.29Å
196L97.6Very high94.2Very high65 Ų6561.4 Ų61.434%0.3437%0.373SS..SBendtrans-120.4154.4175.1-63.9177.4000109.3G128 V129 W171 S194 C198G128-L196 VanDerWaalsContact O-CD2 3.3Å; G128-L196 WeakPolarHBondContact O-CD2 3.28Å; V129-L196 WeakPolarHBondContact O-CD2 3.45Å; W171-L196 VanDerWaalsContact CB-O 3.29Å; W171-L196 WeakPolarHBondContact CB-O 3.37Å; S194-L196 VanDerWaalsContact C-N 3.33Å; S194-L196 VanDerWaalsContact CB-O 3.29Å; S194-L196 WeakPolarHBondContact CB-O 3.42Å; S194-L196 PolarHBondContact OG-N 2.92Å; S194-L196 PolarHBondContact OG-O 2.9Å; L196-C198 PolarHBondContact O-N 2.78Å; L196-C198 VanDerWaalsContact O-N 3.09Å
197P98.3Very high94.2Very high18 Ų1859.2 Ų59.212%0.11736%0.362CS..  trans-44.4118.1173.1-30.533.9000112.5G128 V142 A144 L145 Y169 W171G128-P197 WeakPolarHBondContact O-CD 3.46Å; V142-P197 HydrophobicContact CG1-CG 3.53Å; A144-P197 HydrophobicContact CB-CB 4.33Å; A144-P197 HydrophobicContact CB-CG 3.94Å; L145-P197 HydrophobicContact CD1-CG 4.26Å; L145-P197 HydrophobicContact CD2-CB 3.7Å; L145-P197 HydrophobicContact CD2-CG 4.24Å; L145-P197 HydrophobicContact CG-CB 3.88Å; L145-P197 HydrophobicContact CG-CG 3.86Å; Y169-P197 HydrophobicContact CD1-CB 4.26Å; W171-P197 HydrophobicContact CD2-CB 4.35Å; W171-P197 HydrophobicContact CD2-CG 3.9Å; W171-P197 HydrophobicContact CE3-CB 3.84Å; W171-P197 HydrophobicContact CE3-CG 3.81Å; W171-P197 HydrophobicContact CG-CG 4.36Å; W171-P197 HydrophobicContact CZ3-CB 4.29Å; W171-P197 HydrophobicContact CZ3-CG 4.24Å
198C97.6Very high94.4Very high20 Ų2053.7 Ų53.714%0.13533%0.327CS..EExtended strand (participates in β ladder)trans-123.7128.9-178.3-173.40000109.2Y169 Q170 H191 L196 V200Y169-C198 CarbonylContact C-O 3.51Å; Y169-C198 WeakPolarHBondContact CA-O 3.22Å; Q170-C198 PolarHBondContact N-O 2.72Å; Q170-C198 WeakPolarHBondContact O-CB 3.4Å; Q170-C198 PolarHBondContact O-N 2.78Å; H191-C198 HydrophobicContact CB-CB 4.16Å; L196-C198 PolarHBondContact O-N 2.78Å; L196-C198 VanDerWaalsContact O-N 3.09Å; C198-V200 PolarHBondContact O-N 2.77Å
199P97.3Very high94.5Very high82 Ų8257.3 Ų57.353%0.53234%0.335SS..EExtended strand (participates in β ladder)trans-56.7132.4177-24.232.6000112Y169Y169-P199 HydrophobicContact CD1-CG 4.15Å; Y169-P199 HydrophobicContact CE1-CB 4.45Å; Y169-P199 HydrophobicContact CE1-CG 3.77Å
200V97.8Very high94.7Very high11 Ų1157.8 Ų57.87%0.06734%0.336CS..PPolyproline II helixtrans-83.5122.6173.7-176.60000108.6V168 Q170 C198 L203 W230 P248V168-V200 HydrophobicContact CB-CB 4.27Å; V168-V200 HydrophobicContact CB-CG2 4.42Å; V168-V200 HydrophobicContact CG1-CB 4.23Å; V168-V200 HydrophobicContact CG1-CG2 3.91Å; V168-V200 PolarHBondContact O-N 2.97Å; Q170-V200 HydrophobicContact CB-CG2 3.62Å; C198-V200 PolarHBondContact O-N 2.77Å; V200-L203 HydrophobicContact CG1-CD1 4.38Å; V200-W230 HydrophobicContact CG1-CZ2 4.19Å; V200-W230 HydrophobicContact CG2-CZ2 4.28Å; V200-P248 HydrophobicContact CG1-CG 3.38Å
201P94.5Very high94.8Very high63 Ų6353.9 Ų53.941%0.40931%0.308SS..THydrogen-bonded Turntrans-72.8163.4-177.631.6-35.9000112H191 L203 P248H191-P201 WeakPolarHBondContact ND1-CD 3.07Å; P201-L203 PolarHBondContact O-N 3.15Å; P201-P248 WeakPolarHBondContact O-CD 3.24Å
202G91.3Very high94.9Very high67 Ų6754.5 Ų54.569%0.69131%0.312SS*.THydrogen-bonded Turntrans84.21.3171.100000116
203L93.2Very high95Very high8 Ų855.1 Ų55.14%0.04232%0.318CS..  trans-110.4-2.8179.2-65.2172.8000114.4V168 V200 P201 Q205 R206 C220 F228 P248V168-L203 HydrophobicContact CB-CD1 3.83Å; V168-L203 HydrophobicContact CG1-CD1 4.43Å; V168-L203 HydrophobicContact CG2-CD1 3.59Å; V200-L203 HydrophobicContact CG1-CD1 4.38Å; P201-L203 PolarHBondContact O-N 3.15Å; L203-Q205 PolarHBondContact O-N 3.11Å; L203-R206 PolarHBondContact O-N 2.95Å; L203-C220 HydrophobicContact CD1-CB 4.48Å; L203-F228 HydrophobicContact CD2-CB 4.06Å; L203-F228 HydrophobicContact CD2-CD1 3.66Å; L203-F228 HydrophobicContact CD2-CD2 3.89Å; L203-F228 HydrophobicContact CD2-CE1 4.01Å; L203-F228 HydrophobicContact CD2-CE2 4.23Å; L203-F228 HydrophobicContact CD2-CG 3.59Å; L203-F228 HydrophobicContact CD2-CZ 4.29Å; L203-P248 HydrophobicContact CD1-CB 4.18Å; L203-P248 HydrophobicContact CD1-CG 3.82Å; L203-P248 HydrophobicContact CD2-CB 3.83Å; L203-P248 HydrophobicContact CD2-CG 4.31Å; L203-P248 HydrophobicContact CG-CB 3.96Å; L203-P248 HydrophobicContact CG-CG 3.88Å
204G78.2Confident95.1Very high86 Ų8651.7 Ų51.789%0.88730%0.299SS*.THydrogen-bonded Turntrans-64.4-11.1-167.300000117.4
205Q82.1Confident95.2Very high181 Ų18151.6 Ų51.685%0.84630%0.299SS*.THydrogen-bonded Turntrans-102.65.4172.9-67.2-167.9-1100113.2L203L203-Q205 PolarHBondContact O-N 3.11Å
206R91.9Very high95.2Very high100 Ų10047.8 Ų47.838%0.37728%0.282SS..SBendtrans-122.7133.2-176.9-62.3-54.3-159.1-132.810.8109L203 A208 T222 E226 F228L203-R206 PolarHBondContact O-N 2.95Å; R206-A208 PolarHBondContact O-N 2.85Å; R206-T222 HydrophobicContact CB-CG2 3.94Å; R206-E226 WeakPolarHBondContact CD-OE2 3.31Å; R206-E226 IonicContact CZ-OE1 3.95Å; R206-E226 IonicContact CZ-OE2 3.84Å; R206-E226 IonicContact NE-OE1 3.6Å; R206-E226 IonicContact NE-OE2 2.78Å; R206-E226 PolarHBondContact NE-OE2 2.97Å; R206-E226 IonicContact NH2-OE1 2.72Å; R206-E226 PolarHBondContact NH2-OE1 3.36Å; R206-E226 IonicContact NH2-OE2 3.72Å; R206-F228 HydrophobicContact CG-CE2 4.2Å; R206-F228 HydrophobicContact CG-CZ 4.04Å
207K95.3Very high95.3Very high90 Ų9044.7 Ų44.739%0.39127%0.266SS..  trans-86.897.6178-168.3160169.6-127.50108.9T222 E223K207-T222 CarbonylContact O-C 3.58Å; K207-T222 VanDerWaalsContact O-CA 3.29Å; K207-T222 WeakPolarHBondContact O-CA 3.06Å; K207-T222 WeakPolarHBondContact O-CB 3.39Å; K207-E223 HydrophobicContact CB-CG 4.35Å; K207-E223 VanDerWaalsContact CD-OE2 3.29Å; K207-E223 WeakPolarHBondContact CD-OE2 3.28Å; K207-E223 WeakPolarHBondContact CE-OE1 3.49Å; K207-E223 HydrophobicContact CG-CG 4.19Å; K207-E223 IonicContact NZ-OE1 3.3Å; K207-E223 PolarHBondContact NZ-OE1 3.07Å; K207-E223 IonicContact NZ-OE2 2.93Å; K207-E223 PolarHBondContact NZ-OE2 3.44Å; K207-E223 PolarHBondContact O-N 3.44Å
208A98Very high95.3Very high4 Ų443.8 Ų43.83%0.03326%0.261CS..EExtended strand (participates in β ladder)trans-63.1143.7173.400000109.8V162 G166 V168 R206 C220V162-A208 HydrophobicContact CG1-CB 3.82Å; V162-A208 VanDerWaalsContact CG1-O 3.29Å; V162-A208 WeakPolarHBondContact CG1-O 3.35Å; V162-A208 HydrophobicContact CG2-CB 4.12Å; G166-A208 VanDerWaalsContact O-CB 3.24Å; G166-A208 WeakPolarHBondContact O-CB 3.28Å; G166-A208 PolarHBondContact O-N 3.26Å; V168-A208 HydrophobicContact CG2-CB 3.47Å; V168-A208 VanDerWaalsContact CG2-CB 3.47Å; R206-A208 PolarHBondContact O-N 2.85Å; A208-C220 WeakPolarHBondContact CB-SG 3.42Å
209R97.8Very high95.3Very high98 Ų9842.9 Ų42.937%0.3725%0.254SS..EExtended strand (participates in β ladder)trans-122.2-37178.2-179.217961.782.8-5.8112.3S151 L221 E223 M262S151-R209 WeakPolarHBondContact CB-O 3.46Å; R209-L221 PolarHBondContact N-O 3.33Å; R209-L221 VanDerWaalsContact NH2-CD2 3.33Å; R209-E223 HydrophobicContact CB-CG 4.04Å; R209-M262 PolarHBondContact NH2-O 3.03Å
210L98.5Very high95.4Very high47 Ų4739 Ų3925%0.24623%0.229CC..EExtended strand (participates in β ladder)trans-139.4142.3-175.2175.372.1000109.9C220 L221 V264L210-C220 WeakPolarHBondContact O-CA 3.36Å; L210-L221 HydrophobicContact CB-CB 4.23Å; L210-L221 HydrophobicContact CD2-CD2 4.24Å; L210-L221 PolarHBondContact N-O 3.49Å; L210-L221 VanDerWaalsContact N-O 3.14Å; L210-L221 PolarHBondContact O-N 3.38Å; L210-V264 HydrophobicContact CD2-CG1 3.83Å
211V98.8Very high95.5Very high3 Ų338.4 Ų38.42%0.01823%0.226CC..EExtended strand (participates in β ladder)trans-122.7148.8169.6-75.40000110.3S151 A153 L160 V162 V168 V219 C220S151-V211 PolarHBondContact OG-N 3.26Å; A153-V211 HydrophobicContact CB-CB 4.44Å; A153-V211 HydrophobicContact CB-CG2 3.98Å; A153-V211 WeakPolarHBondContact CB-O 3.31Å; L160-V211 HydrophobicContact CB-CB 3.95Å; L160-V211 HydrophobicContact CB-CG1 4.34Å; L160-V211 HydrophobicContact CB-CG2 3.77Å; L160-V211 HydrophobicContact CD1-CB 4.11Å; V162-V211 HydrophobicContact CG2-CB 4.27Å; V162-V211 HydrophobicContact CG2-CG1 3.49Å; V162-V211 VanDerWaalsContact CG2-CG1 3.49Å; V162-V211 HydrophobicContact CG2-CG2 4.01Å; V168-V211 HydrophobicContact CG1-CG1 4.06Å; V211-V219 CarbonylContact C-O 3.13Å; V211-V219 VanDerWaalsContact CA-O 3.26Å; V211-V219 WeakPolarHBondContact CA-O 3.37Å; V211-C220 HydrophobicContact CG1-CB 4.33Å
212T98.8Very high95.6Very high15 Ų1535.5 Ų35.59%0.09221%0.206CC..EExtended strand (participates in β ladder)trans-136.4155.9167.875.10000109.5L160 V219 V264 S266L160-T212 WeakPolarHBondContact CD1-O 3.31Å; T212-V219 PolarHBondContact N-O 3.17Å; T212-V219 PolarHBondContact O-N 3.23Å; T212-V219 WeakPolarHBondContact OG1-CB 3.29Å; T212-V264 HydrophobicContact CG2-CG1 4.09Å; T212-V264 WeakPolarHBondContact CG2-O 3.25Å; T212-S266 PolarHBondContact OG1-OG 3.38Å
213A98.4Very high95.9Very high14 Ų1437 Ų3712%0.11620%0.196CC..EExtended strand (participates in β ladder)trans-134.6137.9-175.200000110.1A153 L160A153-A213 HydrophobicContact CB-CB 4.17Å; L160-A213 HydrophobicContact CD1-CB 4.11Å
214G98.4Very high96.1Very high0 Ų040.7 Ų40.70%021%0.212CC..  trans-100.6-152.4169.300000112.3G155 L156 H158 H217 G267G155-G214 VanDerWaalsContact CA-O 3.24Å; G155-G214 WeakPolarHBondContact CA-O 3.37Å; L156-G214 PolarHBondContact N-O 3.25Å; H158-G214 PolarHBondContact CE1-O 3.08Å; G214-H217 PolarHBondContact N-O 3.07Å; G214-G267 WeakPolarHBondContact CA-O 3.39Å
215S97.9Very high97Very high28 Ų2836.8 Ų36.820%0.19617%0.172CC..SBendtrans-70.5-40.5176.961.20000112.1W268S215-W268 WeakPolarHBondContact CB-O 3.33Å; S215-W268 PolarHBondContact N-O 2.59Å; S215-W268 PolarHBondContact OG-O 3.27Å
216A97.8Very high97.8Very high3 Ų329.3 Ų29.33%0.02514%0.137CC..SBendtrans-149.921.6-17800000112.9L175 S232L175-A216 HydrophobicContact CG-CB 4.36Å; L175-A216 WeakPolarHBondContact CG-O 3.43Å; A216-S232 WeakPolarHBondContact O-CB 3.26Å; A216-S232 PolarHBondContact O-N 2.86Å
217H98.6Very high98.1Very high0 Ų024.8 Ų24.80%012%0.121CC..EExtended strand (participates in β ladder)trans-130.6159.1172.372-87.9000111G214 W230 Q237 L238 S266 G267G214-H217 PolarHBondContact N-O 3.07Å; H217-W230 CarbonylContact C-O 3.54Å; H217-W230 WeakPolarHBondContact CA-O 3.36Å; H217-Q237 HydrophobicContact CB-CG 4.09Å; H217-L238 HydrophobicContact CB-CD2 3.85Å; H217-S266 PolarHBondContact NE2-OG 2.81Å; H217-G267 PolarHBondContact CE1-O 2.79Å; H217-G267 VanDerWaalsContact CE1-O 3.3Å
218C98.8Very high98.2Very high0 Ų021.3 Ų21.30%011%0.106CC..EExtended strand (participates in β ladder)trans-130.9146.4-177.8-57.20000109.2H158 L160 L229 W230H158-C218 PolarHBondContact NE2-SG 3.02Å; H158-C218 VanDerWaalsContact NE2-SG 3.38Å; L160-C218 HydrophobicContact CD1-CB 3.76Å; L160-C218 HydrophobicContact CD2-CB 4.49Å; C218-L229 WeakPolarHBondContact O-CA 3.14Å; C218-W230 HydrophobicContact CB-CD2 3.5Å; C218-W230 HydrophobicContact CB-CE3 3.92Å; C218-W230 HydrophobicContact CB-CG 4.08Å; C218-W230 HydrophobicContact CB-CH2 3.68Å; C218-W230 HydrophobicContact CB-CZ2 3.25Å; C218-W230 HydrophobicContact CB-CZ3 4Å; C218-W230 PolarHBondContact N-O 3.17Å; C218-W230 PolarHBondContact O-N 2.74Å; C218-W230 VanDerWaalsContact O-N 3.1Å
219V98.8Very high98.3Very high0 Ų021.2 Ų21.20%010%0.104CC..EExtended strand (participates in β ladder)trans-131.4138176.6-168.10000109.3V211 T212 L227 F228 L229 V264 S266 V271V211-V219 CarbonylContact C-O 3.13Å; V211-V219 VanDerWaalsContact CA-O 3.26Å; V211-V219 WeakPolarHBondContact CA-O 3.37Å; T212-V219 PolarHBondContact N-O 3.17Å; T212-V219 PolarHBondContact O-N 3.23Å; T212-V219 WeakPolarHBondContact OG1-CB 3.29Å; V219-L227 HydrophobicContact CG1-CD2 3.95Å; V219-F228 CarbonylContact C-O 3.58Å; V219-F228 WeakPolarHBondContact CA-O 3.42Å; V219-L229 HydrophobicContact CB-CD2 4.05Å; V219-L229 HydrophobicContact CG1-CD2 3.67Å; V219-L229 HydrophobicContact CG2-CD2 3.56Å; V219-V264 HydrophobicContact CG1-CG1 4.44Å; V219-V264 HydrophobicContact CG1-CG2 3.96Å; V219-S266 VanDerWaalsContact CG2-OG 3.32Å; V219-S266 WeakPolarHBondContact CG2-OG 3.49Å; V219-V271 HydrophobicContact CG2-CG2 4.25Å
220C98.6Very high98.3Very high0 Ų016.5 Ų16.50%09%0.087CC..EExtended strand (participates in β ladder)trans-125.5132.6172.1170.90000109.1L203 A208 L210 V211 L227 F228 W230L203-C220 HydrophobicContact CD1-CB 4.48Å; A208-C220 WeakPolarHBondContact CB-SG 3.42Å; L210-C220 WeakPolarHBondContact O-CA 3.36Å; V211-C220 HydrophobicContact CG1-CB 4.33Å; C220-L227 WeakPolarHBondContact O-CA 3.45Å; C220-F228 HydrophobicContact CB-CB 4.28Å; C220-F228 PolarHBondContact N-O 3.04Å; C220-F228 PolarHBondContact O-N 3.39Å; C220-W230 HydrophobicContact CB-CH2 4.02Å; C220-W230 HydrophobicContact CB-CZ3 3.72Å
221L98.8Very high98.3Very high0 Ų014.3 Ų14.30%08%0.075CC..EExtended strand (participates in β ladder)trans-112.5126.7173.3174.861.4000109.5R209 L210 E226 L227 V261 V264R209-L221 PolarHBondContact N-O 3.33Å; R209-L221 VanDerWaalsContact NH2-CD2 3.33Å; L210-L221 HydrophobicContact CB-CB 4.23Å; L210-L221 HydrophobicContact CD2-CD2 4.24Å; L210-L221 PolarHBondContact N-O 3.49Å; L210-L221 VanDerWaalsContact N-O 3.14Å; L210-L221 PolarHBondContact O-N 3.38Å; L221-E226 WeakPolarHBondContact CA-O 3.27Å; L221-L227 HydrophobicContact CB-CD2 3.87Å; L221-L227 HydrophobicContact CD1-CD2 3.76Å; L221-L227 HydrophobicContact CD1-CG 4.31Å; L221-L227 HydrophobicContact CG-CD2 4.34Å; L221-V261 HydrophobicContact CD1-CB 3.84Å; L221-V261 HydrophobicContact CD1-CG1 3.92Å; L221-V261 HydrophobicContact CD2-CG1 4.21Å; L221-V264 HydrophobicContact CB-CG1 3.98Å; L221-V264 HydrophobicContact CD2-CG1 4.15Å
222T98.5Very high98.2Very high1 Ų114.7 Ų14.71%0.0068%0.078CC..EExtended strand (participates in β ladder)trans-87.8168.9178.480.40000112.4R206 K207 E224 G225 E226 F228R206-T222 HydrophobicContact CB-CG2 3.94Å; K207-T222 CarbonylContact O-C 3.58Å; K207-T222 VanDerWaalsContact O-CA 3.29Å; K207-T222 WeakPolarHBondContact O-CA 3.06Å; K207-T222 WeakPolarHBondContact O-CB 3.39Å; T222-E224 VanDerWaalsContact CB-OE2 3.27Å; T222-E224 WeakPolarHBondContact CB-OE2 3.44Å; T222-E224 PolarHBondContact O-N 2.8Å; T222-E224 PolarHBondContact OG1-N 2.65Å; T222-E224 PolarHBondContact OG1-OE2 3.03Å; T222-G225 PolarHBondContact O-N 2.67Å; T222-E226 HydrophobicContact CG2-CB 4.06Å; T222-E226 PolarHBondContact N-O 3.35Å; T222-E226 WeakPolarHBondContact OG1-CB 3.48Å; T222-E226 PolarHBondContact OG1-N 2.79Å; T222-F228 HydrophobicContact CG2-CD2 3.97Å; T222-F228 HydrophobicContact CG2-CE2 3.75Å
223E96.9Very high98.1Very high100 Ų10014.4 Ų14.447%0.4678%0.076SC..THydrogen-bonded Turntrans-62.3-26.9172.5-67.4-172.3165.800112.9K207 R209 G225K207-E223 HydrophobicContact CB-CG 4.35Å; K207-E223 VanDerWaalsContact CD-OE2 3.29Å; K207-E223 WeakPolarHBondContact CD-OE2 3.28Å; K207-E223 WeakPolarHBondContact CE-OE1 3.49Å; K207-E223 HydrophobicContact CG-CG 4.19Å; K207-E223 IonicContact NZ-OE1 3.3Å; K207-E223 PolarHBondContact NZ-OE1 3.07Å; K207-E223 IonicContact NZ-OE2 2.93Å; K207-E223 PolarHBondContact NZ-OE2 3.44Å; K207-E223 PolarHBondContact O-N 3.44Å; R209-E223 HydrophobicContact CB-CG 4.04Å; E223-G225 VanDerWaalsContact C-N 3.26Å; E223-G225 PolarHBondContact O-N 3.19Å
224E96.9Very high97.9Very high84 Ų8420.7 Ų20.739%0.39310%0.101SC..THydrogen-bonded Turntrans-83.92.3179.2-5776.1-168.100113.8T222 R253T222-E224 VanDerWaalsContact CB-OE2 3.27Å; T222-E224 WeakPolarHBondContact CB-OE2 3.44Å; T222-E224 PolarHBondContact O-N 2.8Å; T222-E224 PolarHBondContact OG1-N 2.65Å; T222-E224 PolarHBondContact OG1-OE2 3.03Å; E224-R253 PolarHBondContact O-NH2 2.81Å; E224-R253 VanDerWaalsContact O-NH2 3.12Å
225G97.8Very high97.7Very high4 Ų422.8 Ų22.84%0.04111%0.111CC..SBendtrans73.727.2-178.900000113.6T222 E223 V261T222-G225 PolarHBondContact O-N 2.67Å; E223-G225 VanDerWaalsContact C-N 3.26Å; E223-G225 PolarHBondContact O-N 3.19Å; G225-V261 VanDerWaalsContact CA-O 3.28Å; G225-V261 WeakPolarHBondContact CA-O 3.4Å; G225-V261 PolarHBondContact O-N 2.83Å
226E97.9Very high97.5Very high24 Ų2421.5 Ų21.511%0.11210%0.101CC..  trans-88.4134.3171.4-65.2177.3134.300110.4R206 L221 T222 F228 L250R206-E226 WeakPolarHBondContact CD-OE2 3.31Å; R206-E226 IonicContact CZ-OE1 3.95Å; R206-E226 IonicContact CZ-OE2 3.84Å; R206-E226 IonicContact NE-OE1 3.6Å; R206-E226 IonicContact NE-OE2 2.78Å; R206-E226 PolarHBondContact NE-OE2 2.97Å; R206-E226 IonicContact NH2-OE1 2.72Å; R206-E226 PolarHBondContact NH2-OE1 3.36Å; R206-E226 IonicContact NH2-OE2 3.72Å; L221-E226 WeakPolarHBondContact CA-O 3.27Å; T222-E226 HydrophobicContact CG2-CB 4.06Å; T222-E226 PolarHBondContact N-O 3.35Å; T222-E226 WeakPolarHBondContact OG1-CB 3.48Å; T222-E226 PolarHBondContact OG1-N 2.79Å; E226-F228 HydrophobicContact CB-CD2 4.44Å; E226-F228 HydrophobicContact CB-CE2 3.87Å; E226-L250 HydrophobicContact CB-CD1 3.74Å; E226-L250 HydrophobicContact CG-CD1 4.11Å
227L98.1Very high97.4Very high5 Ų521.4 Ų21.43%0.02610%0.1CC..EExtended strand (participates in β ladder)trans-101.9126.4174.1-77.1-178000110.5V219 C220 L221 L251 L256 V261 V264 A273 W283V219-L227 HydrophobicContact CG1-CD2 3.95Å; C220-L227 WeakPolarHBondContact O-CA 3.45Å; L221-L227 HydrophobicContact CB-CD2 3.87Å; L221-L227 HydrophobicContact CD1-CD2 3.76Å; L221-L227 HydrophobicContact CD1-CG 4.31Å; L221-L227 HydrophobicContact CG-CD2 4.34Å; L227-L251 HydrophobicContact CB-CB 4.04Å; L227-L251 HydrophobicContact CB-CD2 4.25Å; L227-L251 HydrophobicContact CD1-CD2 3.92Å; L227-L251 WeakPolarHBondContact O-CB 3.37Å; L227-L251 PolarHBondContact O-N 2.76Å; L227-L256 HydrophobicContact CD1-CD1 4.34Å; L227-V261 HydrophobicContact CD1-CB 4.24Å; L227-V261 HydrophobicContact CD1-CG1 4Å; L227-V261 HydrophobicContact CD1-CG2 3.72Å; L227-V261 HydrophobicContact CD2-CB 4.48Å; L227-V261 HydrophobicContact CD2-CG1 4.06Å; L227-V261 HydrophobicContact CG-CB 4.01Å; L227-V261 HydrophobicContact CG-CG1 4Å; L227-V261 HydrophobicContact CG-CG2 3.85Å; L227-V264 HydrophobicContact CD2-CB 4.12Å; L227-V264 HydrophobicContact CD2-CG1 4.04Å; L227-V264 HydrophobicContact CD2-CG2 4.21Å; L227-A273 HydrophobicContact CD1-CB 4Å; L227-W283 HydrophobicContact CD1-CH2 4.18Å
228F98.6Very high97.3Very high17 Ų1721.8 Ų21.88%0.07510%0.102CC..EExtended strand (participates in β ladder)trans-111.4135.6171.1-69.8-100.3000110.5L203 R206 V219 C220 T222 E226 P248 S249 L250L203-F228 HydrophobicContact CD2-CB 4.06Å; L203-F228 HydrophobicContact CD2-CD1 3.66Å; L203-F228 HydrophobicContact CD2-CD2 3.89Å; L203-F228 HydrophobicContact CD2-CE1 4.01Å; L203-F228 HydrophobicContact CD2-CE2 4.23Å; L203-F228 HydrophobicContact CD2-CG 3.59Å; L203-F228 HydrophobicContact CD2-CZ 4.29Å; R206-F228 HydrophobicContact CG-CE2 4.2Å; R206-F228 HydrophobicContact CG-CZ 4.04Å; V219-F228 CarbonylContact C-O 3.58Å; V219-F228 WeakPolarHBondContact CA-O 3.42Å; C220-F228 HydrophobicContact CB-CB 4.28Å; C220-F228 PolarHBondContact N-O 3.04Å; C220-F228 PolarHBondContact O-N 3.39Å; T222-F228 HydrophobicContact CG2-CD2 3.97Å; T222-F228 HydrophobicContact CG2-CE2 3.75Å; E226-F228 HydrophobicContact CB-CD2 4.44Å; E226-F228 HydrophobicContact CB-CE2 3.87Å; F228-P248 HydrophobicContact CB-CB 3.99Å; F228-P248 HydrophobicContact CD1-CB 4.02Å; F228-P248 HydrophobicContact CG-CB 4.39Å; F228-S249 CarbonylContact C-O 3.54Å; F228-S249 VanDerWaalsContact CA-O 3.31Å; F228-S249 WeakPolarHBondContact CA-O 3.36Å; F228-L250 HydrophobicContact CD1-CB 4.23Å; F228-L250 HydrophobicContact CD2-CD1 4.45Å; F228-L250 HydrophobicContact CE1-CB 3.86Å; F228-L250 HydrophobicContact CE1-CD1 4.47Å; F228-L250 HydrophobicContact CE2-CD1 4.03Å; F228-L250 HydrophobicContact CZ-CB 4.2Å; F228-L250 HydrophobicContact CZ-CD1 4.04Å
229L98.5Very high97.1Very high2 Ų222.2 Ų22.21%0.0111%0.106CC..EExtended strand (participates in β ladder)trans-127.3137.4-173.6-62.8163.5000109.7C218 V219 L238 S249 L251 W283C218-L229 WeakPolarHBondContact O-CA 3.14Å; V219-L229 HydrophobicContact CB-CD2 4.05Å; V219-L229 HydrophobicContact CG1-CD2 3.67Å; V219-L229 HydrophobicContact CG2-CD2 3.56Å; L229-L238 HydrophobicContact CB-CB 4.39Å; L229-L238 HydrophobicContact CB-CD2 4.03Å; L229-S249 PolarHBondContact N-O 2.81Å; L229-S249 PolarHBondContact O-N 2.95Å; L229-L251 HydrophobicContact CD1-CB 4.12Å; L229-L251 HydrophobicContact CD1-CD1 3.95Å; L229-L251 HydrophobicContact CD1-CG 4.45Å; L229-W283 HydrophobicContact CD1-CZ2 4.36Å
230W98.7Very high96.8Very high0 Ų024 Ų240%012%0.117CC..EExtended strand (participates in β ladder)trans-152.6168.3171.969.2102.8000112.8L160 V168 V200 H217 C218 C220 L245 S247 P248L160-W230 HydrophobicContact CD1-CZ2 4.41Å; L160-W230 HydrophobicContact CD2-CZ2 3.91Å; V168-W230 HydrophobicContact CG1-CH2 4.26Å; V200-W230 HydrophobicContact CG1-CZ2 4.19Å; V200-W230 HydrophobicContact CG2-CZ2 4.28Å; H217-W230 CarbonylContact C-O 3.54Å; H217-W230 WeakPolarHBondContact CA-O 3.36Å; C218-W230 HydrophobicContact CB-CD2 3.5Å; C218-W230 HydrophobicContact CB-CE3 3.92Å; C218-W230 HydrophobicContact CB-CG 4.08Å; C218-W230 HydrophobicContact CB-CH2 3.68Å; C218-W230 HydrophobicContact CB-CZ2 3.25Å; C218-W230 HydrophobicContact CB-CZ3 4Å; C218-W230 PolarHBondContact N-O 3.17Å; C218-W230 PolarHBondContact O-N 2.74Å; C218-W230 VanDerWaalsContact O-N 3.1Å; C220-W230 HydrophobicContact CB-CH2 4.02Å; C220-W230 HydrophobicContact CB-CZ3 3.72Å; W230-L245 HydrophobicContact CB-CB 4.38Å; W230-S247 WeakPolarHBondContact CB-O 3.35Å; W230-P248 HydrophobicContact CD2-CB 4.47Å; W230-P248 HydrophobicContact CD2-CG 3.97Å; W230-P248 HydrophobicContact CE3-CB 3.94Å; W230-P248 HydrophobicContact CE3-CG 3.82Å; W230-P248 HydrophobicContact CG-CG 4.46Å; W230-P248 HydrophobicContact CZ3-CB 4.41Å; W230-P248 HydrophobicContact CZ3-CG 4.23Å
231G98.4Very high96.4Very high0 Ų027 Ų270%014%0.142CC..EExtended strand (participates in β ladder)trans104.3-143.8-178.100000113.1L238 F244 L245G231-L238 VanDerWaalsContact O-CD1 3.29Å; G231-L238 WeakPolarHBondContact O-CD1 3.29Å; G231-F244 VanDerWaalsContact C-CD2 3.45Å; G231-F244 CarbonylContact O-C 3.17Å; G231-F244 VanDerWaalsContact O-CA 3.28Å; G231-F244 WeakPolarHBondContact O-CA 3.34Å; G231-F244 WeakPolarHBondContact O-CD2 3.26Å; G231-F244 WeakPolarHBondContact O-CE2 3.47Å; G231-F244 WeakPolarHBondContact O-CG 3.42Å; G231-L245 PolarHBondContact N-O 2.85Å; G231-L245 PolarHBondContact O-N 2.84Å
232S97.6Very high96.1Very high12 Ų1232.2 Ų32.28%0.08417%0.166CC..EExtended strand (participates in β ladder)trans-80.8136.7-177.1-166.80000111.9H178 A216 Q237H178-S232 PolarHBondContact ND1-OG 2.93Å; A216-S232 WeakPolarHBondContact O-CB 3.26Å; A216-S232 PolarHBondContact O-N 2.86Å; S232-Q237 VanDerWaalsContact O-CD 3.28Å; S232-Q237 WeakPolarHBondContact O-CG 3.22Å
233N95.9Very high95.8Very high9 Ų936.4 Ų36.45%0.04819%0.194CC..  trans-116.431.6177.7-163.731.6000112.7H235 G236 Q237 L238 T240 E242 P243N233-H235 PolarHBondContact O-N 2.97Å; N233-H235 VanDerWaalsContact O-N 3.1Å; N233-G236 PolarHBondContact O-N 3.25Å; N233-G236 VanDerWaalsContact O-N 3.16Å; N233-G236 WeakPolarHBondContact OD1-CA 3.31Å; N233-G236 PolarHBondContact OD1-N 2.99Å; N233-Q237 PolarHBondContact OD1-N 3.41Å; N233-Q237 VanDerWaalsContact OD1-N 3.14Å; N233-L238 HydrophobicContact CB-CB 4.13Å; N233-L238 HydrophobicContact CB-CD1 3.77Å; N233-L238 HydrophobicContact CB-CG 3.79Å; N233-L238 WeakPolarHBondContact OD1-CB 3.31Å; N233-L238 PolarHBondContact OD1-N 2.86Å; N233-T240 PolarHBondContact ND2-O 2.86Å; N233-E242 WeakPolarHBondContact CB-O 3.27Å; N233-E242 PolarHBondContact ND2-O 2.85Å; N233-P243 WeakPolarHBondContact CB-O 3.37Å; N233-P243 PolarHBondContact N-O 3.5Å
234K94Very high95.8Very high146 Ų14632.2 Ų32.264%0.63517%0.174SC*.THydrogen-bonded Turntrans-55.3-34-174.5-176.4-178.3174.2-167.50112.7R308K234-R308 PolarHBondContact O-NH2 2.86Å
235H93.9Very high95.8Very high44 Ų4429 Ų2920%0.20416%0.159CC..THydrogen-bonded Turntrans-113.49.5-176.9-61.3-81.1000113N233 G284 R285N233-H235 PolarHBondContact O-N 2.97Å; N233-H235 VanDerWaalsContact O-N 3.1Å; H235-G284 CarbonylContact O-C 3.59Å; H235-G284 VanDerWaalsContact O-CA 3.28Å; H235-G284 WeakPolarHBondContact O-CA 3.29Å; H235-R285 HydrophobicContact CB-CB 3.73Å; H235-R285 HydrophobicContact CB-CG 4.39Å
236G94.4Very high95.8Very high0 Ų030.9 Ų30.90%017%0.171CC..SBendtrans85.28.1-179.900000115.9N233 L238 A239 C311N233-G236 PolarHBondContact O-N 3.25Å; N233-G236 VanDerWaalsContact O-N 3.16Å; N233-G236 WeakPolarHBondContact OD1-CA 3.31Å; N233-G236 PolarHBondContact OD1-N 2.99Å; G236-L238 PolarHBondContact O-N 3.36Å; G236-A239 PolarHBondContact O-N 3.11Å; G236-C311 WeakPolarHBondContact CA-SG 3.34Å
237Q95.4Very high95.7Very high2 Ų231.9 Ų31.91%0.00918%0.18CC..THydrogen-bonded Turntrans-60.7-14.2-178.558.1-100.573.900114.4H217 S232 N233 V271 W283H217-Q237 HydrophobicContact CB-CG 4.09Å; S232-Q237 VanDerWaalsContact O-CD 3.28Å; S232-Q237 WeakPolarHBondContact O-CG 3.22Å; N233-Q237 PolarHBondContact OD1-N 3.41Å; N233-Q237 VanDerWaalsContact OD1-N 3.14Å; Q237-V271 HydrophobicContact CB-CG2 4.29Å; Q237-W283 PolarHBondContact O-NE1 2.81Å
238L96.6Very high95.7Very high7 Ų732.4 Ų32.44%0.03718%0.184CC..THydrogen-bonded Turntrans-98.20.9177.3-46.9-172000113.3H217 L229 G231 N233 G236 T240 L245H217-L238 HydrophobicContact CB-CD2 3.85Å; L229-L238 HydrophobicContact CB-CB 4.39Å; L229-L238 HydrophobicContact CB-CD2 4.03Å; G231-L238 VanDerWaalsContact O-CD1 3.29Å; G231-L238 WeakPolarHBondContact O-CD1 3.29Å; N233-L238 HydrophobicContact CB-CB 4.13Å; N233-L238 HydrophobicContact CB-CD1 3.77Å; N233-L238 HydrophobicContact CB-CG 3.79Å; N233-L238 WeakPolarHBondContact OD1-CB 3.31Å; N233-L238 PolarHBondContact OD1-N 2.86Å; G236-L238 PolarHBondContact O-N 3.36Å; L238-T240 HydrophobicContact CB-CG2 4.02Å; L238-T240 PolarHBondContact O-N 2.83Å; L238-L245 HydrophobicContact CB-CD1 3.93Å; L238-L245 HydrophobicContact CD1-CB 3.85Å; L238-L245 HydrophobicContact CD1-CD1 3.75Å; L238-L245 HydrophobicContact CD1-CG 3.76Å; L238-L245 HydrophobicContact CG-CD1 4.45Å
239A94.9Very high95.6Very high10 Ų1033.9 Ų33.98%0.08320%0.196CC..SBendtrans52.937.7178.500000114.9G236 L251 L255 C311G236-A239 PolarHBondContact O-N 3.11Å; A239-L251 HydrophobicContact CB-CD1 3.52Å; A239-L255 HydrophobicContact CB-CD1 4.31Å; A239-C311 VanDerWaalsContact CA-O 3.28Å; A239-C311 WeakPolarHBondContact CA-O 3.44Å; A239-C311 WeakPolarHBondContact CB-O 3.49Å
240T92.1Very high95.6Very high38 Ų3838.1 Ų38.123%0.23322%0.218CC..SBendtrans-134.9166.6175.8-179.80000110.4N233 L238 E242 L245N233-T240 PolarHBondContact ND2-O 2.86Å; L238-T240 HydrophobicContact CB-CG2 4.02Å; L238-T240 PolarHBondContact O-N 2.83Å; T240-E242 VanDerWaalsContact C-N 3.34Å; T240-E242 HydrophobicContact CG2-CB 3.98Å; T240-E242 PolarHBondContact OG1-N 3.18Å; T240-L245 HydrophobicContact CG2-CD1 3.89Å; T240-L245 HydrophobicContact CG2-CD2 4.22Å; T240-L245 HydrophobicContact CG2-CG 4.09Å
241A90.1Very high95.5Very high63 Ų6338.7 Ų38.752%0.52122%0.221SC..SBendtrans-76.7-22.7170.300000112.5
242E92.3Very high95.3Very high109 Ų10942.7 Ų42.751%0.50924%0.243SC..  trans-65130.5-178.6-65.8-58.1144.500111.4N233 T240 F244 L245N233-E242 WeakPolarHBondContact CB-O 3.27Å; N233-E242 PolarHBondContact ND2-O 2.85Å; T240-E242 VanDerWaalsContact C-N 3.34Å; T240-E242 HydrophobicContact CG2-CB 3.98Å; T240-E242 PolarHBondContact OG1-N 3.18Å; E242-F244 PolarHBondContact O-N 3.41Å; E242-L245 HydrophobicContact CB-CD2 3.97Å; E242-L245 HydrophobicContact CG-CD2 4.32Å
243P92.6Very high95.2Very high89 Ų8945.9 Ų45.958%0.57825%0.253SS*.SBendtrans-70.5-19-177.128.8-35.7000113.1N233N233-P243 WeakPolarHBondContact CB-O 3.37Å; N233-P243 PolarHBondContact N-O 3.5Å
244F96.5Very high95.1Very high12 Ų1248.8 Ų48.85%0.05327%0.274CS..EExtended strand (participates in β ladder)trans-153.8137.2179.6-167.6-87.9000110.3H178 A179 A182 L183 L192 G231 E242 P246H178-F244 HydrophobicContact CB-CD2 4.17Å; H178-F244 HydrophobicContact CB-CE2 3.78Å; A179-F244 HydrophobicContact CB-CE1 3.78Å; A179-F244 HydrophobicContact CB-CE2 4.22Å; A179-F244 HydrophobicContact CB-CZ 3.53Å; A182-F244 HydrophobicContact CB-CB 3.35Å; A182-F244 HydrophobicContact CB-CD1 4.37Å; A182-F244 HydrophobicContact CB-CD2 4.25Å; A182-F244 HydrophobicContact CB-CG 3.76Å; L183-F244 HydrophobicContact CD1-CE1 4.46Å; L183-F244 HydrophobicContact CD2-CD1 4.47Å; L183-F244 HydrophobicContact CG-CD1 4.47Å; L192-F244 HydrophobicContact CD1-CE1 3.87Å; L192-F244 HydrophobicContact CD1-CZ 3.9Å; G231-F244 VanDerWaalsContact C-CD2 3.45Å; G231-F244 CarbonylContact O-C 3.17Å; G231-F244 VanDerWaalsContact O-CA 3.28Å; G231-F244 WeakPolarHBondContact O-CA 3.34Å; G231-F244 WeakPolarHBondContact O-CD2 3.26Å; G231-F244 WeakPolarHBondContact O-CE2 3.47Å; G231-F244 WeakPolarHBondContact O-CG 3.42Å; E242-F244 PolarHBondContact O-N 3.41Å; F244-P246 HydrophobicContact CE1-CB 4.36Å
245L97.5Very high95.2Very high17 Ų1743 Ų439%0.08925%0.25CS..EExtended strand (participates in β ladder)trans-110.8113.5172.7-67.3178.3000109.4W230 G231 L238 T240 E242 S247W230-L245 HydrophobicContact CB-CB 4.38Å; G231-L245 PolarHBondContact N-O 2.85Å; G231-L245 PolarHBondContact O-N 2.84Å; L238-L245 HydrophobicContact CB-CD1 3.93Å; L238-L245 HydrophobicContact CD1-CB 3.85Å; L238-L245 HydrophobicContact CD1-CD1 3.75Å; L238-L245 HydrophobicContact CD1-CG 3.76Å; L238-L245 HydrophobicContact CG-CD1 4.45Å; T240-L245 HydrophobicContact CG2-CD1 3.89Å; T240-L245 HydrophobicContact CG2-CD2 4.22Å; T240-L245 HydrophobicContact CG2-CG 4.09Å; E242-L245 HydrophobicContact CB-CD2 3.97Å; E242-L245 HydrophobicContact CG-CD2 4.32Å; L245-S247 PolarHBondContact O-N 2.97Å
246P97.2Very high95.3Very high43 Ų4341.1 Ų41.128%0.27924%0.241SC..EExtended strand (participates in β ladder)trans-75.7-7.2-178.631.5-35.8000113.9L183 P189 H191 F244L183-P246 HydrophobicContact CD1-CB 3.98Å; L183-P246 HydrophobicContact CD2-CB 4.08Å; L183-P246 HydrophobicContact CD2-CG 4.12Å; P189-P246 HydrophobicContact CG-CB 3.84Å; H191-P246 PolarHBondContact CE1-O 2.66Å; H191-P246 VanDerWaalsContact CE1-O 3.26Å; H191-P246 PolarHBondContact NE2-O 3.38Å; F244-P246 HydrophobicContact CE1-CB 4.36Å
247S96.4Very high95.4Very high44 Ų4447.9 Ų47.931%0.30827%0.271SS..EExtended strand (participates in β ladder)trans-151.2156.6-178.2-66.80000110.4W230 L245 S249W230-S247 WeakPolarHBondContact CB-O 3.35Å; L245-S247 PolarHBondContact O-N 2.97Å; S247-S249 PolarHBondContact O-N 3.27Å; S247-S249 PolarHBondContact O-OG 3.3Å
248P98Very high95.4Very high16 Ų1649.9 Ų49.910%0.10429%0.292CS..EExtended strand (participates in β ladder)trans-51.6124.2179.4-27.135.3000111.8V200 P201 L203 F228 W230V200-P248 HydrophobicContact CG1-CG 3.38Å; P201-P248 WeakPolarHBondContact O-CD 3.24Å; L203-P248 HydrophobicContact CD1-CB 4.18Å; L203-P248 HydrophobicContact CD1-CG 3.82Å; L203-P248 HydrophobicContact CD2-CB 3.83Å; L203-P248 HydrophobicContact CD2-CG 4.31Å; L203-P248 HydrophobicContact CG-CB 3.96Å; L203-P248 HydrophobicContact CG-CG 3.88Å; F228-P248 HydrophobicContact CB-CB 3.99Å; F228-P248 HydrophobicContact CD1-CB 4.02Å; F228-P248 HydrophobicContact CG-CB 4.39Å; W230-P248 HydrophobicContact CD2-CB 4.47Å; W230-P248 HydrophobicContact CD2-CG 3.97Å; W230-P248 HydrophobicContact CE3-CB 3.94Å; W230-P248 HydrophobicContact CE3-CG 3.82Å; W230-P248 HydrophobicContact CG-CG 4.46Å; W230-P248 HydrophobicContact CZ3-CB 4.41Å; W230-P248 HydrophobicContact CZ3-CG 4.23Å
249S97.3Very high95.5Very high48 Ų4850.9 Ų50.934%0.33630%0.296SS..EExtended strand (participates in β ladder)trans-118.6133174.9-58.60000110F228 L229 S247 L251F228-S249 CarbonylContact C-O 3.54Å; F228-S249 VanDerWaalsContact CA-O 3.31Å; F228-S249 WeakPolarHBondContact CA-O 3.36Å; L229-S249 PolarHBondContact N-O 2.81Å; L229-S249 PolarHBondContact O-N 2.95Å; S247-S249 PolarHBondContact O-N 3.27Å; S247-S249 PolarHBondContact O-OG 3.3Å; S249-L251 PolarHBondContact O-N 3.39Å
250L97.2Very high95.7Very high91 Ų9154.7 Ų54.748%0.47631%0.311SS..EExtended strand (participates in β ladder)trans-67.7125.4179.7177.761000110.4E226 F228 N252E226-L250 HydrophobicContact CB-CD1 3.74Å; E226-L250 HydrophobicContact CG-CD1 4.11Å; F228-L250 HydrophobicContact CD1-CB 4.23Å; F228-L250 HydrophobicContact CD2-CD1 4.45Å; F228-L250 HydrophobicContact CE1-CB 3.86Å; F228-L250 HydrophobicContact CE1-CD1 4.47Å; F228-L250 HydrophobicContact CE2-CD1 4.03Å; F228-L250 HydrophobicContact CZ-CB 4.2Å; F228-L250 HydrophobicContact CZ-CD1 4.04Å; L250-N252 PolarHBondContact O-N 3.13Å
251L97Very high96Very high12 Ų1253 Ų536%0.06330%0.301CS..  trans-66.2129.9169.8-178.369.4000109.5L227 L229 A239 S249 R253 L255 L256 W283 P313L227-L251 HydrophobicContact CB-CB 4.04Å; L227-L251 HydrophobicContact CB-CD2 4.25Å; L227-L251 HydrophobicContact CD1-CD2 3.92Å; L227-L251 WeakPolarHBondContact O-CB 3.37Å; L227-L251 PolarHBondContact O-N 2.76Å; L229-L251 HydrophobicContact CD1-CB 4.12Å; L229-L251 HydrophobicContact CD1-CD1 3.95Å; L229-L251 HydrophobicContact CD1-CG 4.45Å; A239-L251 HydrophobicContact CB-CD1 3.52Å; S249-L251 PolarHBondContact O-N 3.39Å; L251-R253 PolarHBondContact O-N 2.83Å; L251-L255 HydrophobicContact CD1-CD1 3.92Å; L251-L256 HydrophobicContact CD2-CD1 3.75Å; L251-L256 HydrophobicContact CD2-CG 4.17Å; L251-W283 HydrophobicContact CD2-CH2 4.3Å; L251-W283 HydrophobicContact CD2-CZ2 4.31Å; L251-P313 HydrophobicContact CD1-CG 4.46Å
252N95.3Very high96.4Very high84 Ų8454.8 Ų54.845%0.44930%0.3SS..  trans-63.9109.6174.2-178.4-11.5000110.1L250 S254 L255L250-N252 PolarHBondContact O-N 3.13Å; N252-S254 PolarHBondContact ND2-OG 3.05Å; N252-S254 PolarHBondContact O-N 2.87Å; N252-S254 WeakPolarHBondContact OD1-CB 3.31Å; N252-S254 PolarHBondContact OD1-N 3.47Å; N252-S254 PolarHBondContact OD1-OG 2.87Å; N252-L255 HydrophobicContact CB-CD1 4.29Å; N252-L255 HydrophobicContact CB-CG 4.23Å; N252-L255 VanDerWaalsContact O-CB 3.28Å; N252-L255 WeakPolarHBondContact O-CB 3.29Å; N252-L255 VanDerWaalsContact O-CG 3.32Å; N252-L255 WeakPolarHBondContact O-CG 3.29Å; N252-L255 PolarHBondContact O-N 2.72Å
253R94.7Very high96.6Very high80 Ų8050.6 Ų50.630%0.30229%0.286SS..G310 helixtrans-58.3-23.9-176.9-164.6-177.4-73.3-170-7.2113.7E224 L251 L255 L256 G258 E259E224-R253 PolarHBondContact O-NH2 2.81Å; E224-R253 VanDerWaalsContact O-NH2 3.12Å; L251-R253 PolarHBondContact O-N 2.83Å; R253-L255 PolarHBondContact O-N 2.97Å; R253-L256 CarbonylContact O-C 3.41Å; R253-L256 WeakPolarHBondContact O-CA 3.47Å; R253-L256 PolarHBondContact O-N 2.81Å; R253-G258 WeakPolarHBondContact CD-O 3.41Å; R253-G258 WeakPolarHBondContact O-CA 3.41Å; R253-G258 PolarHBondContact O-N 3.09Å; R253-E259 VanDerWaalsContact CD-O 3.29Å; R253-E259 WeakPolarHBondContact CD-O 3.47Å; R253-E259 WeakPolarHBondContact CG-O 3.16Å
254S94.8Very high96.9Very high70 Ų7047.1 Ų47.149%0.4926%0.263SS..G310 helixtrans-61.3-25.5174.966.20000113.3N252 L256 K257N252-S254 PolarHBondContact ND2-OG 3.05Å; N252-S254 PolarHBondContact O-N 2.87Å; N252-S254 WeakPolarHBondContact OD1-CB 3.31Å; N252-S254 PolarHBondContact OD1-N 3.47Å; N252-S254 PolarHBondContact OD1-OG 2.87Å; S254-L256 PolarHBondContact O-N 3.43Å; S254-K257 PolarHBondContact O-N 3.07Å; S254-K257 VanDerWaalsContact O-N 3.08Å
255L94.8Very high97Very high25 Ų2547.5 Ų47.513%0.13127%0.267CS..G310 helixtrans-65.1-25.2173-57.2179.5000112A239 L251 N252 R253 I312 P313A239-L255 HydrophobicContact CB-CD1 4.31Å; L251-L255 HydrophobicContact CD1-CD1 3.92Å; N252-L255 HydrophobicContact CB-CD1 4.29Å; N252-L255 HydrophobicContact CB-CG 4.23Å; N252-L255 VanDerWaalsContact O-CB 3.28Å; N252-L255 WeakPolarHBondContact O-CB 3.29Å; N252-L255 VanDerWaalsContact O-CG 3.32Å; N252-L255 WeakPolarHBondContact O-CG 3.29Å; N252-L255 PolarHBondContact O-N 2.72Å; R253-L255 PolarHBondContact O-N 2.97Å; L255-I312 HydrophobicContact CD2-CG2 4.1Å; L255-P313 HydrophobicContact CB-CB 4.45Å; L255-P313 HydrophobicContact CB-CG 4Å; L255-P313 HydrophobicContact CD1-CG 4.42Å
256L96.7Very high97Very high3 Ų347.4 Ų47.42%0.01627%0.267CS..G310 helixtrans-103.531.1174.9-54.8179.5000111.2L227 L251 R253 S254 G258 E259 V261 T275 F281 P313L227-L256 HydrophobicContact CD1-CD1 4.34Å; L251-L256 HydrophobicContact CD2-CD1 3.75Å; L251-L256 HydrophobicContact CD2-CG 4.17Å; R253-L256 CarbonylContact O-C 3.41Å; R253-L256 WeakPolarHBondContact O-CA 3.47Å; R253-L256 PolarHBondContact O-N 2.81Å; S254-L256 PolarHBondContact O-N 3.43Å; L256-G258 PolarHBondContact O-N 2.89Å; L256-G258 VanDerWaalsContact O-N 3.1Å; L256-E259 PolarHBondContact O-N 2.86Å; L256-E259 VanDerWaalsContact O-N 3.16Å; L256-V261 HydrophobicContact CD1-CG2 3.33Å; L256-T275 HydrophobicContact CB-CG2 4.37Å; L256-F281 HydrophobicContact CD2-CB 3.68Å; L256-F281 HydrophobicContact CD2-CD1 3.85Å; L256-F281 HydrophobicContact CD2-CD2 3.87Å; L256-F281 HydrophobicContact CD2-CE1 4.43Å; L256-F281 HydrophobicContact CD2-CE2 4.46Å; L256-F281 HydrophobicContact CD2-CG 3.53Å; L256-P313 HydrophobicContact CD2-CB 3.55Å; L256-P313 HydrophobicContact CD2-CG 4.12Å
257K96.3Very high97.1Very high143 Ų14345.4 Ų45.462%0.62226%0.255SS*.THydrogen-bonded Turntrans55.226.4-178.1-54-57.3-175.31720114.7S254 E259 R279 F281S254-K257 PolarHBondContact O-N 3.07Å; S254-K257 VanDerWaalsContact O-N 3.08Å; K257-E259 VanDerWaalsContact C-N 3.31Å; K257-R279 VanDerWaalsContact CB-NH1 3.31Å; K257-R279 VanDerWaalsContact CG-NH2 3.32Å; K257-F281 HydrophobicContact CG-CE1 4.39Å; K257-F281 HydrophobicContact CG-CZ 4.08Å
258G96.3Very high97.2Very high44 Ų4446.7 Ų46.745%0.45425%0.253SS..THydrogen-bonded Turntrans82.63.7177.100000114.7R253 L256R253-G258 WeakPolarHBondContact CD-O 3.41Å; R253-G258 WeakPolarHBondContact O-CA 3.41Å; R253-G258 PolarHBondContact O-N 3.09Å; L256-G258 PolarHBondContact O-N 2.89Å; L256-G258 VanDerWaalsContact O-N 3.1Å
259E97.9Very high97.2Very high28 Ų2846.5 Ų46.513%0.13125%0.251CS..PPolyproline II helixtrans-86.2153-175.9-63.2-178.4-127.100113.1R253 L256 K257 T275 E276 S277 R279R253-E259 VanDerWaalsContact CD-O 3.29Å; R253-E259 WeakPolarHBondContact CD-O 3.47Å; R253-E259 WeakPolarHBondContact CG-O 3.16Å; L256-E259 PolarHBondContact O-N 2.86Å; L256-E259 VanDerWaalsContact O-N 3.16Å; K257-E259 VanDerWaalsContact C-N 3.31Å; E259-T275 HydrophobicContact CB-CG2 3.96Å; E259-T275 VanDerWaalsContact OE2-CB 3.29Å; E259-T275 WeakPolarHBondContact OE2-CB 3.44Å; E259-T275 PolarHBondContact OE2-OG1 2.95Å; E259-E276 HydrophobicContact CB-CG 4.48Å; E259-S277 VanDerWaalsContact CD-OG 3.26Å; E259-S277 PolarHBondContact OE1-OG 2.93Å; E259-S277 WeakPolarHBondContact OE2-CB 3.49Å; E259-S277 PolarHBondContact OE2-N 3.31Å; E259-S277 PolarHBondContact OE2-OG 3.31Å; E259-R279 WeakPolarHBondContact OE1-CD 3.32Å; E259-R279 IonicContact OE1-CZ 3.82Å; E259-R279 IonicContact OE1-NE 3.03Å; E259-R279 IonicContact OE1-NH1 3.57Å; E259-R279 PolarHBondContact OE1-NH1 3.11Å
260K98.1Very high97.2Very high89 Ų8944.2 Ų44.239%0.38724%0.235SC..PPolyproline II helixtrans-69.6145.3169.8-69178.2179.5175.50110.8T275 E276K260-T275 CarbonylContact O-C 3.48Å; K260-T275 WeakPolarHBondContact O-CA 3.5Å; K260-T275 WeakPolarHBondContact O-CB 3.35Å; K260-E276 HydrophobicContact CB-CB 4.47Å; K260-E276 HydrophobicContact CB-CG 4.49Å; K260-E276 PolarHBondContact N-OE1 2.97Å; K260-E276 PolarHBondContact O-N 2.74Å
261V98.6Very high97.3Very high3 Ų339.9 Ų39.92%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-88.8131.8171.81800000109.9L221 G225 L227 L256 G263 A273L221-V261 HydrophobicContact CD1-CB 3.84Å; L221-V261 HydrophobicContact CD1-CG1 3.92Å; L221-V261 HydrophobicContact CD2-CG1 4.21Å; G225-V261 VanDerWaalsContact CA-O 3.28Å; G225-V261 WeakPolarHBondContact CA-O 3.4Å; G225-V261 PolarHBondContact O-N 2.83Å; L227-V261 HydrophobicContact CD1-CB 4.24Å; L227-V261 HydrophobicContact CD1-CG1 4Å; L227-V261 HydrophobicContact CD1-CG2 3.72Å; L227-V261 HydrophobicContact CD2-CB 4.48Å; L227-V261 HydrophobicContact CD2-CG1 4.06Å; L227-V261 HydrophobicContact CG-CB 4.01Å; L227-V261 HydrophobicContact CG-CG1 4Å; L227-V261 HydrophobicContact CG-CG2 3.85Å; L256-V261 HydrophobicContact CD1-CG2 3.33Å; V261-G263 VanDerWaalsContact CG1-O 3.24Å; V261-G263 WeakPolarHBondContact CG1-O 3.34Å; V261-A273 HydrophobicContact CG1-CB 4.15Å
262M98.2Very high97.3Very high101 Ų10139.3 Ų39.350%0.49821%0.21SC..EExtended strand (participates in β ladder)trans-107.4-33.4179.1-63.1-52.4-62.200112.4R209 Q274 E276R209-M262 PolarHBondContact NH2-O 3.03Å; M262-Q274 PolarHBondContact N-O 2.99Å; M262-E276 HydrophobicContact CG-CB 3.88Å; M262-E276 HydrophobicContact SD-CB 4.33Å
263G98.2Very high97.5Very high21 Ų2135.3 Ų35.322%0.21619%0.188CC..EExtended strand (participates in β ladder)trans-135.6147.917800000111.8V261 A273 Q274V261-G263 VanDerWaalsContact CG1-O 3.24Å; V261-G263 WeakPolarHBondContact CG1-O 3.34Å; G263-A273 WeakPolarHBondContact O-CA 3.41Å; G263-Q274 PolarHBondContact N-O 2.99Å; G263-Q274 PolarHBondContact O-N 3.5Å
264V98.7Very high97.7Very high16 Ų1633.5 Ų33.510%0.09718%0.183CC..EExtended strand (participates in β ladder)trans-147.2140.9173.961.60000109.8L210 T212 V219 L221 L227 V271 V272L210-V264 HydrophobicContact CD2-CG1 3.83Å; T212-V264 HydrophobicContact CG2-CG1 4.09Å; T212-V264 WeakPolarHBondContact CG2-O 3.25Å; V219-V264 HydrophobicContact CG1-CG1 4.44Å; V219-V264 HydrophobicContact CG1-CG2 3.96Å; L221-V264 HydrophobicContact CB-CG1 3.98Å; L221-V264 HydrophobicContact CD2-CG1 4.15Å; L227-V264 HydrophobicContact CD2-CB 4.12Å; L227-V264 HydrophobicContact CD2-CG1 4.04Å; L227-V264 HydrophobicContact CD2-CG2 4.21Å; V264-V271 HydrophobicContact CG2-CG1 3.78Å; V264-V272 WeakPolarHBondContact CA-O 3.19Å; V264-V272 WeakPolarHBondContact CG2-O 3.37Å
265C98Very high97.9Very high20 Ų2030.3 Ų30.314%0.13516%0.161CC..EExtended strand (participates in β ladder)trans-134.4152.8169470000109.5V272 C327C265-V272 PolarHBondContact N-O 3.02Å; C265-V272 PolarHBondContact O-N 2.8Å; C265-C327 PolarHBondContact SG-SG 2.9Å
266S98.4Very high98Very high14 Ų1434.4 Ų34.410%0.09818%0.179CC..EExtended strand (participates in β ladder)trans-121131.8176.9-72.10000108.7T212 H217 V219 C327T212-S266 PolarHBondContact OG1-OG 3.38Å; H217-S266 PolarHBondContact NE2-OG 2.81Å; V219-S266 VanDerWaalsContact CG2-OG 3.32Å; V219-S266 WeakPolarHBondContact CG2-OG 3.49Å; S266-C327 WeakPolarHBondContact O-CB 3.37Å
267G98.4Very high98.1Very high2 Ų236.8 Ų36.82%0.02120%0.196CC..  trans-81.6-166.7153.200000110.2G214 H217 T269 H270 G328G214-G267 WeakPolarHBondContact CA-O 3.39Å; H217-G267 PolarHBondContact CE1-O 2.79Å; H217-G267 VanDerWaalsContact CE1-O 3.3Å; G267-T269 VanDerWaalsContact C-N 3.3Å; G267-T269 PolarHBondContact O-N 2.84Å; G267-H270 PolarHBondContact N-O 3.32Å; G267-G328 VanDerWaalsContact CA-O 3.28Å; G267-G328 WeakPolarHBondContact CA-O 3.26Å
268W97.9Very high98.2Very high71 Ų7130.7 Ų30.727%0.26917%0.174SC..SBendtrans-68.4-31.4178.9-79.814.3000113.5W104 L156 S215 S329 A377W104-W268 HydrophobicContact CD2-CZ2 4.46Å; W104-W268 AromaticContact CE3-CH2 3.54Å; W104-W268 HydrophobicContact CE3-CH2 3.54Å; W104-W268 AromaticContact CE3-CZ2 3.32Å; W104-W268 HydrophobicContact CE3-CZ2 3.32Å; W104-W268 AromaticContact CH2-CH2 3.94Å; W104-W268 HydrophobicContact CH2-CH2 3.94Å; W104-W268 HydrophobicContact CH2-CZ2 4.45Å; W104-W268 AromaticContact CZ3-CH2 3.2Å; W104-W268 HydrophobicContact CZ3-CH2 3.2Å; W104-W268 AromaticContact CZ3-CZ2 3.33Å; W104-W268 HydrophobicContact CZ3-CZ2 3.33Å; L156-W268 HydrophobicContact CD1-CD2 4.47Å; L156-W268 HydrophobicContact CD1-CH2 3.68Å; L156-W268 HydrophobicContact CD1-CZ2 3.5Å; L156-W268 VanDerWaalsContact CD1-CZ2 3.5Å; L156-W268 HydrophobicContact CD1-CZ3 4.27Å; S215-W268 WeakPolarHBondContact CB-O 3.33Å; S215-W268 PolarHBondContact N-O 2.59Å; S215-W268 PolarHBondContact OG-O 3.27Å; W268-S329 WeakPolarHBondContact CB-O 3.22Å; W268-S329 VanDerWaalsContact CD2-CB 3.41Å; W268-S329 VanDerWaalsContact CE2-CB 3.4Å; W268-S329 PolarHBondContact N-O 3.09Å; W268-A377 HydrophobicContact CZ2-CB 3.87Å
269T97.6Very high98.3Very high11 Ų1130.3 Ų30.37%0.06716%0.159CC..SBendtrans-137.66.2-172.362.40000114.3G267 R285 E330G267-T269 VanDerWaalsContact C-N 3.3Å; G267-T269 PolarHBondContact O-N 2.84Å; T269-R285 PolarHBondContact O-N 2.83Å; T269-R285 WeakPolarHBondContact OG1-CB 3.42Å; T269-R285 VanDerWaalsContact OG1-CD 3.23Å; T269-R285 WeakPolarHBondContact OG1-CD 3.24Å; T269-E330 WeakPolarHBondContact CG2-OE1 3.34Å; T269-E330 VanDerWaalsContact OG1-CD 3.32Å; T269-E330 PolarHBondContact OG1-OE1 3.04Å; T269-E330 PolarHBondContact OG1-OE2 3.19Å
270H98.2Very high98.3Very high0 Ų029 Ų290%015%0.153CC..EExtended strand (participates in β ladder)trans-137.9164.7177.168.8-72.1000112.2G267 W283 L291 N332G267-H270 PolarHBondContact N-O 3.32Å; H270-W283 WeakPolarHBondContact CA-O 3.41Å; H270-W283 WeakPolarHBondContact CB-O 3.33Å; H270-L291 HydrophobicContact CB-CD2 4.01Å; H270-N332 PolarHBondContact NE2-OD1 3.18Å
271V98.6Very high98.3Very high0 Ų024.9 Ų24.90%013%0.134CC..EExtended strand (participates in β ladder)trans-129.5141178.1-175.70000109.1V219 Q237 V264 T282 W283V219-V271 HydrophobicContact CG2-CG2 4.25Å; Q237-V271 HydrophobicContact CB-CG2 4.29Å; V264-V271 HydrophobicContact CG2-CG1 3.78Å; V271-T282 WeakPolarHBondContact O-CA 3.39Å; V271-W283 HydrophobicContact CB-CD2 4.12Å; V271-W283 HydrophobicContact CB-CE3 4.49Å; V271-W283 HydrophobicContact CB-CH2 3.97Å; V271-W283 HydrophobicContact CB-CZ2 3.54Å; V271-W283 HydrophobicContact CB-CZ3 4.41Å; V271-W283 HydrophobicContact CG1-CH2 3.45Å; V271-W283 VanDerWaalsContact CG1-CH2 3.45Å; V271-W283 HydrophobicContact CG1-CZ2 3.35Å; V271-W283 HydrophobicContact CG1-CZ3 4.16Å; V271-W283 HydrophobicContact CG2-CZ2 4.21Å; V271-W283 PolarHBondContact N-O 3.49Å; V271-W283 PolarHBondContact O-N 3.17Å; V271-W283 VanDerWaalsContact O-N 3.15Å
272V98.6Very high98.3Very high1 Ų124.7 Ų24.71%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-122.2126.8171.8-174.40000108.4V264 C265 V280 F281 T282 I325V264-V272 WeakPolarHBondContact CA-O 3.19Å; V264-V272 WeakPolarHBondContact CG2-O 3.37Å; C265-V272 PolarHBondContact N-O 3.02Å; C265-V272 PolarHBondContact O-N 2.8Å; V272-V280 HydrophobicContact CG1-CG1 3.55Å; V272-F281 WeakPolarHBondContact CA-O 3.44Å; V272-T282 HydrophobicContact CB-CG2 4.44Å; V272-T282 HydrophobicContact CG1-CG2 4.06Å; V272-T282 HydrophobicContact CG2-CG2 3.98Å; V272-I325 HydrophobicContact CG1-CD1 4.22Å; V272-I325 HydrophobicContact CG1-CG2 4.03Å
273A98.6Very high98.2Very high0 Ų019.9 Ų19.90%011%0.11CC..EExtended strand (participates in β ladder)trans-124.3137.9178.300000111L227 V261 G263 V280 F281 W283L227-A273 HydrophobicContact CD1-CB 4Å; V261-A273 HydrophobicContact CG1-CB 4.15Å; G263-A273 WeakPolarHBondContact O-CA 3.41Å; A273-V280 CarbonylContact O-C 3.53Å; A273-V280 WeakPolarHBondContact O-CA 3.36Å; A273-F281 PolarHBondContact N-O 2.84Å; A273-F281 PolarHBondContact O-N 2.94Å; A273-W283 HydrophobicContact CB-CH2 3.75Å; A273-W283 HydrophobicContact CB-CZ3 3.74Å
274Q98.6Very high98.1Very high41 Ų4119 Ų1919%0.19210%0.101CC..EExtended strand (participates in β ladder)trans-111129.6175-174.7178.454.200110.3M262 G263 R279 V280 A322M262-Q274 PolarHBondContact N-O 2.99Å; G263-Q274 PolarHBondContact N-O 2.99Å; G263-Q274 PolarHBondContact O-N 3.5Å; Q274-R279 CarbonylContact C-O 3.59Å; Q274-R279 VanDerWaalsContact CA-O 3.3Å; Q274-R279 WeakPolarHBondContact CA-O 3.48Å; Q274-V280 HydrophobicContact CB-CG2 4.4Å; Q274-V280 HydrophobicContact CG-CG2 4.18Å; Q274-A322 PolarHBondContact NE2-O 3.42Å
275T98.6Very high97.9Very high3 Ų320.6 Ų20.62%0.01811%0.105CC..EExtended strand (participates in β ladder)trans-90.2170.9-179.170.20000112.8L256 E259 K260 S277 G278 R279 F281L256-T275 HydrophobicContact CB-CG2 4.37Å; E259-T275 HydrophobicContact CB-CG2 3.96Å; E259-T275 VanDerWaalsContact OE2-CB 3.29Å; E259-T275 WeakPolarHBondContact OE2-CB 3.44Å; E259-T275 PolarHBondContact OE2-OG1 2.95Å; K260-T275 CarbonylContact O-C 3.48Å; K260-T275 WeakPolarHBondContact O-CA 3.5Å; K260-T275 WeakPolarHBondContact O-CB 3.35Å; T275-S277 PolarHBondContact O-N 2.59Å; T275-S277 PolarHBondContact OG1-OG 3.23Å; T275-G278 PolarHBondContact O-N 2.86Å; T275-R279 PolarHBondContact N-O 3.42Å; T275-R279 PolarHBondContact OG1-N 2.92Å; T275-F281 HydrophobicContact CG2-CD2 3.89Å; T275-F281 HydrophobicContact CG2-CE2 3.58Å
276E97.8Very high97.7Very high111 Ų11121 Ų2152%0.51911%0.113SC..THydrogen-bonded Turntrans-61.1-24.8178.869.9-165.3134.600114.5E259 K260 M262 G278E259-E276 HydrophobicContact CB-CG 4.48Å; K260-E276 HydrophobicContact CB-CB 4.47Å; K260-E276 HydrophobicContact CB-CG 4.49Å; K260-E276 PolarHBondContact N-OE1 2.97Å; K260-E276 PolarHBondContact O-N 2.74Å; M262-E276 HydrophobicContact CG-CB 3.88Å; M262-E276 HydrophobicContact SD-CB 4.33Å; E276-G278 VanDerWaalsContact C-N 3.29Å
277S98.1Very high97.4Very high54 Ų5424.3 Ų24.338%0.37813%0.13SC..THydrogen-bonded Turntrans-85.85.2171.870.70000114.1E259 T275 R279 H320E259-S277 VanDerWaalsContact CD-OG 3.26Å; E259-S277 PolarHBondContact OE1-OG 2.93Å; E259-S277 WeakPolarHBondContact OE2-CB 3.49Å; E259-S277 PolarHBondContact OE2-N 3.31Å; E259-S277 PolarHBondContact OE2-OG 3.31Å; T275-S277 PolarHBondContact O-N 2.59Å; T275-S277 PolarHBondContact OG1-OG 3.23Å; S277-R279 VanDerWaalsContact C-N 3.33Å; S277-R279 VanDerWaalsContact OG-CD 3.27Å; S277-R279 WeakPolarHBondContact OG-CD 3.26Å; S277-R279 WeakPolarHBondContact OG-CG 3.35Å; S277-H320 PolarHBondContact O-CE1 3.24Å
278G97.9Very high97.2Very high14 Ų1428 Ų2814%0.14414%0.143CC..SBendtrans817.8-179.200000114.6T275 E276 H320 G321T275-G278 PolarHBondContact O-N 2.86Å; E276-G278 VanDerWaalsContact C-N 3.29Å; G278-H320 WeakPolarHBondContact O-CA 3.26Å; G278-G321 PolarHBondContact O-N 2.91Å
279R98.5Very high97.1Very high37 Ų3724.7 Ų24.714%0.1413%0.132CC..  trans-75.8143.9176-63.2169.566.5-152.4-0.3110.6K257 E259 Q274 T275 S277 F281 E315 H320K257-R279 VanDerWaalsContact CB-NH1 3.31Å; K257-R279 VanDerWaalsContact CG-NH2 3.32Å; E259-R279 WeakPolarHBondContact OE1-CD 3.32Å; E259-R279 IonicContact OE1-CZ 3.82Å; E259-R279 IonicContact OE1-NE 3.03Å; E259-R279 IonicContact OE1-NH1 3.57Å; E259-R279 PolarHBondContact OE1-NH1 3.11Å; Q274-R279 CarbonylContact C-O 3.59Å; Q274-R279 VanDerWaalsContact CA-O 3.3Å; Q274-R279 WeakPolarHBondContact CA-O 3.48Å; T275-R279 PolarHBondContact N-O 3.42Å; T275-R279 PolarHBondContact OG1-N 2.92Å; S277-R279 VanDerWaalsContact C-N 3.33Å; S277-R279 VanDerWaalsContact OG-CD 3.27Å; S277-R279 WeakPolarHBondContact OG-CD 3.26Å; S277-R279 WeakPolarHBondContact OG-CG 3.35Å; R279-F281 HydrophobicContact CB-CE2 3.83Å; R279-E315 WeakPolarHBondContact CG-OE1 3.38Å; R279-E315 IonicContact CZ-OE1 2.74Å; R279-E315 IonicContact CZ-OE2 3.71Å; R279-E315 VanDerWaalsContact NE-CD 3.27Å; R279-E315 IonicContact NE-OE1 3.17Å; R279-E315 PolarHBondContact NE-OE1 3.35Å; R279-E315 IonicContact NE-OE2 2.67Å; R279-E315 PolarHBondContact NE-OE2 3.26Å; R279-E315 IonicContact NH2-OE1 3.72Å; R279-E315 IonicContact NH2-OE2 2.66Å; R279-E315 PolarHBondContact NH2-OE2 2.94Å; R279-H320 WeakPolarHBondContact CG-ND1 3.1Å
280V98.6Very high97.1Very high0 Ų024.1 Ų24.10%013%0.128CC..EExtended strand (participates in β ladder)trans-118.5127.2-174.8177.90000109.8V272 A273 Q274 E315 V316 L319 A322 I325V272-V280 HydrophobicContact CG1-CG1 3.55Å; A273-V280 CarbonylContact O-C 3.53Å; A273-V280 WeakPolarHBondContact O-CA 3.36Å; Q274-V280 HydrophobicContact CB-CG2 4.4Å; Q274-V280 HydrophobicContact CG-CG2 4.18Å; V280-E315 CarbonylContact O-C 3.37Å; V280-E315 VanDerWaalsContact O-CA 3.25Å; V280-E315 WeakPolarHBondContact O-CA 3.44Å; V280-V316 PolarHBondContact O-N 3.04Å; V280-L319 HydrophobicContact CB-CB 3.78Å; V280-L319 HydrophobicContact CB-CD1 4.5Å; V280-L319 HydrophobicContact CG1-CB 4.03Å; V280-L319 HydrophobicContact CG1-CD1 3.85Å; V280-L319 HydrophobicContact CG2-CB 3.86Å; V280-L319 VanDerWaalsContact CG2-O 3.26Å; V280-L319 WeakPolarHBondContact CG2-O 3.3Å; V280-A322 HydrophobicContact CG2-CB 4.5Å; V280-I325 HydrophobicContact CB-CD1 4.38Å; V280-I325 HydrophobicContact CG1-CD1 3.77Å; V280-I325 HydrophobicContact CG2-CD1 3.63Å
281F98.3Very high97Very high2 Ų224.7 Ų24.71%0.00913%0.131CC..EExtended strand (participates in β ladder)trans-117.9138.3-179.6-64.3-103.6000110.8L256 K257 V272 A273 T275 R279 W283 P313 V314 E315L256-F281 HydrophobicContact CD2-CB 3.68Å; L256-F281 HydrophobicContact CD2-CD1 3.85Å; L256-F281 HydrophobicContact CD2-CD2 3.87Å; L256-F281 HydrophobicContact CD2-CE1 4.43Å; L256-F281 HydrophobicContact CD2-CE2 4.46Å; L256-F281 HydrophobicContact CD2-CG 3.53Å; K257-F281 HydrophobicContact CG-CE1 4.39Å; K257-F281 HydrophobicContact CG-CZ 4.08Å; V272-F281 WeakPolarHBondContact CA-O 3.44Å; A273-F281 PolarHBondContact N-O 2.84Å; A273-F281 PolarHBondContact O-N 2.94Å; T275-F281 HydrophobicContact CG2-CD2 3.89Å; T275-F281 HydrophobicContact CG2-CE2 3.58Å; R279-F281 HydrophobicContact CB-CE2 3.83Å; F281-W283 HydrophobicContact CB-CZ3 4.36Å; F281-P313 HydrophobicContact CB-CB 4.15Å; F281-P313 HydrophobicContact CD1-CB 4.3Å; F281-V314 CarbonylContact C-O 3.55Å; F281-V314 VanDerWaalsContact CA-O 3.27Å; F281-V314 WeakPolarHBondContact CA-O 3.16Å; F281-E315 HydrophobicContact CD1-CB 4.1Å; F281-E315 HydrophobicContact CE1-CB 3.93Å; F281-E315 HydrophobicContact CZ-CB 4.32Å
282T98.1Very high96.9Very high0 Ų024.8 Ų24.80%013%0.133CC..EExtended strand (participates in β ladder)trans-125.9139.9178.965.70000111.4V271 V272 L291 R293 V314 V316V271-T282 WeakPolarHBondContact O-CA 3.39Å; V272-T282 HydrophobicContact CB-CG2 4.44Å; V272-T282 HydrophobicContact CG1-CG2 4.06Å; V272-T282 HydrophobicContact CG2-CG2 3.98Å; T282-L291 PolarHBondContact OG1-O 3.23Å; T282-R293 PolarHBondContact O-NH2 2.87Å; T282-R293 PolarHBondContact OG1-NE 3.01Å; T282-V314 PolarHBondContact N-O 2.89Å; T282-V314 PolarHBondContact O-N 2.9Å; T282-V316 HydrophobicContact CG2-CG2 3.71Å; T282-V316 WeakPolarHBondContact OG1-CG2 3.36Å
283W97.1Very high96.5Very high0 Ų027 Ų270%014%0.141CC..EExtended strand (participates in β ladder)trans-155.6165.6172.966.5100.2000112.1L227 L229 Q237 L251 H270 V271 A273 F281 L291 P313L227-W283 HydrophobicContact CD1-CH2 4.18Å; L229-W283 HydrophobicContact CD1-CZ2 4.36Å; Q237-W283 PolarHBondContact O-NE1 2.81Å; L251-W283 HydrophobicContact CD2-CH2 4.3Å; L251-W283 HydrophobicContact CD2-CZ2 4.31Å; H270-W283 WeakPolarHBondContact CA-O 3.41Å; H270-W283 WeakPolarHBondContact CB-O 3.33Å; V271-W283 HydrophobicContact CB-CD2 4.12Å; V271-W283 HydrophobicContact CB-CE3 4.49Å; V271-W283 HydrophobicContact CB-CH2 3.97Å; V271-W283 HydrophobicContact CB-CZ2 3.54Å; V271-W283 HydrophobicContact CB-CZ3 4.41Å; V271-W283 HydrophobicContact CG1-CH2 3.45Å; V271-W283 VanDerWaalsContact CG1-CH2 3.45Å; V271-W283 HydrophobicContact CG1-CZ2 3.35Å; V271-W283 HydrophobicContact CG1-CZ3 4.16Å; V271-W283 HydrophobicContact CG2-CZ2 4.21Å; V271-W283 PolarHBondContact N-O 3.49Å; V271-W283 PolarHBondContact O-N 3.17Å; V271-W283 VanDerWaalsContact O-N 3.15Å; A273-W283 HydrophobicContact CB-CH2 3.75Å; A273-W283 HydrophobicContact CB-CZ3 3.74Å; F281-W283 HydrophobicContact CB-CZ3 4.36Å; W283-L291 VanDerWaalsContact C-CD2 3.48Å; W283-P313 HydrophobicContact CD2-CB 4.16Å; W283-P313 HydrophobicContact CD2-CG 3.76Å; W283-P313 HydrophobicContact CE3-CB 3.67Å; W283-P313 HydrophobicContact CE3-CG 3.72Å; W283-P313 HydrophobicContact CG-CG 4.15Å; W283-P313 HydrophobicContact CZ3-CB 4.14Å; W283-P313 HydrophobicContact CZ3-CG 4.18Å
284G96.3Very high95.3Very high3 Ų331 Ų313%0.03117%0.169CC..EExtended strand (participates in β ladder)trans112.6-141.5-174.900000111.1H235H235-G284 CarbonylContact O-C 3.59Å; H235-G284 VanDerWaalsContact O-CA 3.28Å; H235-G284 WeakPolarHBondContact O-CA 3.29Å
285R94.6Very high93.7Very high48 Ų4832.6 Ų32.618%0.18119%0.189CC..  trans-70139.6178.7-165.5176.9-175.5-167.7-2111.3H235 T269 D287 Y288 L291H235-R285 HydrophobicContact CB-CB 3.73Å; H235-R285 HydrophobicContact CB-CG 4.39Å; T269-R285 PolarHBondContact O-N 2.83Å; T269-R285 WeakPolarHBondContact OG1-CB 3.42Å; T269-R285 VanDerWaalsContact OG1-CD 3.23Å; T269-R285 WeakPolarHBondContact OG1-CD 3.24Å; R285-D287 WeakPolarHBondContact CD-OD1 3.36Å; R285-D287 WeakPolarHBondContact CG-OD1 3.36Å; R285-D287 IonicContact CZ-OD1 3.61Å; R285-D287 IonicContact CZ-OD2 3.49Å; R285-D287 VanDerWaalsContact CZ-OD2 3.31Å; R285-D287 VanDerWaalsContact NE-CG 3.28Å; R285-D287 IonicContact NE-OD1 3.73Å; R285-D287 PolarHBondContact NE-OD1 2.86Å; R285-D287 IonicContact NE-OD2 2.81Å; R285-D287 PolarHBondContact NE-OD2 3.26Å; R285-D287 IonicContact NH2-OD1 2.84Å; R285-D287 IonicContact NH2-OD2 3.36Å; R285-D287 PolarHBondContact NH2-OD2 2.75Å; R285-Y288 VanDerWaalsContact NH2-CZ 3.25Å; R285-Y288 PolarHBondContact NH2-OH 3.27Å; R285-L291 VanDerWaalsContact O-CD2 3.27Å; R285-L291 WeakPolarHBondContact O-CD2 3.48Å; R285-L291 VanDerWaalsContact O-CG 3.3Å; R285-L291 WeakPolarHBondContact O-CG 3.42Å
286G92.8Very high91.6Very high30 Ų3034.6 Ų34.631%0.30920%0.203SC..  trans-142.78.9-17800000115.8Y288 G289G286-Y288 VanDerWaalsContact C-N 3.27Å; G286-Y288 PolarHBondContact O-N 2.81Å; G286-G289 PolarHBondContact O-N 2.91Å; G286-G289 VanDerWaalsContact O-N 3.17Å
287D92.2Very high89Confident83 Ų8336.7 Ų36.744%0.44422%0.223SC..THydrogen-bonded Turntrans-70.4-18.3-177.256.3-18.4000114.1R285 Q290R285-D287 WeakPolarHBondContact CD-OD1 3.36Å; R285-D287 WeakPolarHBondContact CG-OD1 3.36Å; R285-D287 IonicContact CZ-OD1 3.61Å; R285-D287 IonicContact CZ-OD2 3.49Å; R285-D287 VanDerWaalsContact CZ-OD2 3.31Å; R285-D287 VanDerWaalsContact NE-CG 3.28Å; R285-D287 IonicContact NE-OD1 3.73Å; R285-D287 PolarHBondContact NE-OD1 2.86Å; R285-D287 IonicContact NE-OD2 2.81Å; R285-D287 PolarHBondContact NE-OD2 3.26Å; R285-D287 IonicContact NH2-OD1 2.84Å; R285-D287 IonicContact NH2-OD2 3.36Å; R285-D287 PolarHBondContact NH2-OD2 2.75Å; D287-Q290 PolarHBondContact OD1-NE2 2.87Å
288Y95.2Very high86.4Confident78 Ų7836.2 Ų36.231%0.30622%0.22SC..THydrogen-bonded Turntrans-110.419.2171.8-50.7-55.9000112.1R285 G286 Q290 G344 W345 D358R285-Y288 VanDerWaalsContact NH2-CZ 3.25Å; R285-Y288 PolarHBondContact NH2-OH 3.27Å; G286-Y288 VanDerWaalsContact C-N 3.27Å; G286-Y288 PolarHBondContact O-N 2.81Å; Y288-Q290 PolarHBondContact O-N 3.33Å; Y288-G344 CarbonylContact O-C 3.56Å; Y288-G344 VanDerWaalsContact O-CA 3.3Å; Y288-G344 WeakPolarHBondContact O-CA 3.47Å; Y288-W345 HydrophobicContact CD2-CB 4.46Å; Y288-W345 HydrophobicContact CG-CB 4.35Å; Y288-W345 HydrophobicContact CG-CG 4.5Å; Y288-W345 PolarHBondContact O-N 2.86Å; Y288-D358 WeakPolarHBondContact CD1-OD2 3.02Å
289G95.6Very high84.1Confident2 Ų242.8 Ų42.82%0.02125%0.247CC..SBendtrans81.56.2178.800000115.5G286 L291 G292 W343 F360G286-G289 PolarHBondContact O-N 2.91Å; G286-G289 VanDerWaalsContact O-N 3.17Å; G289-L291 PolarHBondContact O-N 2.72Å; G289-G292 PolarHBondContact O-N 2.77Å; G289-W343 VanDerWaalsContact O-CD1 3.28Å; G289-F360 VanDerWaalsContact CA-CD1 3.47Å
290Q96.9Very high81.5Confident0 Ų048.8 Ų48.80%028%0.282CS..THydrogen-bonded Turntrans-53.2-28.4-174.8-51.693.8-42.700113.8D287 Y288 E330 N332 W343D287-Q290 PolarHBondContact OD1-NE2 2.87Å; Y288-Q290 PolarHBondContact O-N 3.33Å; Q290-E330 HydrophobicContact CG-CB 4.16Å; Q290-E330 WeakPolarHBondContact CG-O 3.22Å; Q290-E330 PolarHBondContact NE2-OE2 2.76Å; Q290-N332 PolarHBondContact O-ND2 3.27Å; Q290-W343 PolarHBondContact O-NE1 3.49Å
291L96.6Very high78.9Confident11 Ų1151.2 Ų51.26%0.05830%0.302CS..THydrogen-bonded Turntrans-81.5-11.5-179.2-55-175.6000113.8H270 T282 W283 R285 G289 R293 V316H270-L291 HydrophobicContact CB-CD2 4.01Å; T282-L291 PolarHBondContact OG1-O 3.23Å; W283-L291 VanDerWaalsContact C-CD2 3.48Å; R285-L291 VanDerWaalsContact O-CD2 3.27Å; R285-L291 WeakPolarHBondContact O-CD2 3.48Å; R285-L291 VanDerWaalsContact O-CG 3.3Å; R285-L291 WeakPolarHBondContact O-CG 3.42Å; G289-L291 PolarHBondContact O-N 2.72Å; L291-R293 VanDerWaalsContact C-N 3.26Å; L291-R293 HydrophobicContact CB-CG 3.86Å; L291-R293 PolarHBondContact O-N 2.78Å; L291-V316 WeakPolarHBondContact O-CG2 3.25Å
292G95.8Very high76.6Confident3 Ų358.9 Ų58.93%0.03134%0.337CS..SBendtrans66.624.5176.200000114.4G289 F360 P362G289-G292 PolarHBondContact O-N 2.77Å; G292-F360 CarbonylContact C-O 3.6Å; G292-F360 VanDerWaalsContact CA-O 3.3Å; G292-F360 WeakPolarHBondContact CA-O 3.35Å; G292-P362 VanDerWaalsContact O-CD 3.3Å; G292-P362 WeakPolarHBondContact O-CD 3.47Å
293R89.6Confident74.6Confident47 Ų4760.6 Ų60.618%0.17735%0.348CS..SBendtrans-142150.4-176.456.8-174.7167.9115-14.5110.7T282 L291 A295 I312 V314 F360T282-R293 PolarHBondContact O-NH2 2.87Å; T282-R293 PolarHBondContact OG1-NE 3.01Å; L291-R293 VanDerWaalsContact C-N 3.26Å; L291-R293 HydrophobicContact CB-CG 3.86Å; L291-R293 PolarHBondContact O-N 2.78Å; R293-A295 PolarHBondContact O-N 2.83Å; R293-I312 PolarHBondContact NH2-O 2.97Å; R293-V314 VanDerWaalsContact NH1-CG2 3.28Å; R293-F360 PolarHBondContact N-O 2.84Å; R293-F360 VanDerWaalsContact N-O 3.15Å
294S75.2Confident72.3Confident84 Ų8466.8 Ų66.859%0.58739%0.392SS*.PPolyproline II helixtrans-60.6136.8175-54.50000110.4S296 H361S294-S296 PolarHBondContact O-N 2.9Å; S294-S296 VanDerWaalsContact O-N 3.16Å; S294-H361 PolarHBondContact N-NE2 2.8Å; S294-H361 PolarHBondContact OG-NE2 3.1Å
295A63.9Low70.3Confident75 Ų7572 Ų7262%0.6242%0.417SS*.PPolyproline II helixtrans-55.8121.7167.900000108.4R293 V297R293-A295 PolarHBondContact O-N 2.83Å; A295-V297 PolarHBondContact O-N 3.1Å
296S54.1Low68.6Low45 Ų4571.7 Ų71.732%0.31543%0.428SS..PPolyproline II helixtrans-68.7125.4171.572.70000107.3S294 S298S294-S296 PolarHBondContact O-N 2.9Å; S294-S296 VanDerWaalsContact O-N 3.16Å; S296-S298 PolarHBondContact O-N 3.12Å
297V43.5Very low67.1Low154 Ų15471.2 Ų71.293%0.93342%0.418SS*.SBendtrans-68.536-174.4-166.80000112.9A295A295-V297 PolarHBondContact O-N 3.1Å
298S44.3Very low65.8Low44 Ų4474.1 Ų74.131%0.30842%0.423SS..  trans-135.264.6175.772.40000109.3S296 N300 K309S296-S298 PolarHBondContact O-N 3.12Å; S298-N300 PolarHBondContact O-N 3.16Å; S298-K309 PolarHBondContact OG-NZ 2.94Å
299E48.1Very low64.3Low152 Ų15274.6 Ų74.671%0.7143%0.426SS*.THydrogen-bonded Turntrans-66.5-1.8-175-69.1178.6157.600114.4
300N45.3Very low62.6Low164 Ų16477.6 Ų77.688%0.87744%0.442SS*.THydrogen-bonded Turntrans-12918.4-176-72.8-27.8000114.9S298S298-N300 PolarHBondContact O-N 3.16Å
301A44.2Very low61.4Low51 Ų5177.8 Ų77.842%0.42144%0.443SS..  trans-95.7101.817600000110.9
302E50Low61Low162 Ų16278.7 Ų78.776%0.75745%0.448SS*.BIsolated β-bridgetrans-56.4134.7160.6-70.3-179.317200109.1
303T55.4Low60.9Low37 Ų3778.9 Ų78.923%0.22745%0.448CS..  trans-73.5162.6167.858.90000110M305 G306 I307 I312T303-M305 PolarHBondContact O-N 3.48Å; T303-G306 PolarHBondContact O-N 2.95Å; T303-I307 PolarHBondContact N-O 2.87Å; T303-I307 PolarHBondContact OG1-N 2.99Å; T303-I307 PolarHBondContact OG1-O 2.81Å; T303-I312 HydrophobicContact CG2-CD1 3.5Å
304S48.7Very low61.2Low130 Ų13079.3 Ų79.391%0.90946%0.456SS*.THydrogen-bonded Turntrans-57.7-6175.660.10000114.7
305M54Low62.2Low113 Ų11377.9 Ų77.956%0.55744%0.44SS*.THydrogen-bonded Turntrans-106.39176-67.5-170.7-82.200113.6T303 I307T303-M305 PolarHBondContact O-N 3.48Å; M305-I307 HydrophobicContact CB-CD1 4.31Å; M305-I307 HydrophobicContact CB-CG1 4.4Å; M305-I307 PolarHBondContact O-N 2.62Å; M305-I307 VanDerWaalsContact O-N 3.16Å
306G58.4Low63.8Low40 Ų4074.7 Ų74.741%0.41241%0.413SS..SBendtrans69.77.1-179.700000114.7T303T303-G306 PolarHBondContact O-N 2.95Å
307I62.6Low65.8Low20 Ų2077.6 Ų77.610%0.10343%0.429CS..  trans-88.7127.5176.7-57.3170.3000107.7T303 M305 K309 C311 I312T303-I307 PolarHBondContact N-O 2.87Å; T303-I307 PolarHBondContact OG1-N 2.99Å; T303-I307 PolarHBondContact OG1-O 2.81Å; M305-I307 HydrophobicContact CB-CD1 4.31Å; M305-I307 HydrophobicContact CB-CG1 4.4Å; M305-I307 PolarHBondContact O-N 2.62Å; M305-I307 VanDerWaalsContact O-N 3.16Å; I307-K309 PolarHBondContact O-N 3.01Å; I307-C311 HydrophobicContact CG2-CB 3.71Å; I307-I312 HydrophobicContact CG2-CD1 4.44Å; I307-I312 HydrophobicContact CG2-CG1 3.81Å
308R64.5Low68.3Low145 Ų14573.2 Ų73.255%0.54741%0.405SS..BIsolated β-bridgetrans-58.8137.6171.6-63.6-171.5-68.4-168.3-3108.9K234 D310 C311K234-R308 PolarHBondContact O-NH2 2.86Å; R308-D310 PolarHBondContact O-N 2.91Å; R308-D310 VanDerWaalsContact O-N 3.08Å; R308-C311 WeakPolarHBondContact O-CA 3.3Å; R308-C311 VanDerWaalsContact O-CB 3.28Å; R308-C311 WeakPolarHBondContact O-CB 3.45Å; R308-C311 PolarHBondContact O-N 3.02Å
309K63.1Low70.9Confident88 Ų8871.1 Ų71.138%0.38339%0.39SS..G310 helixtrans-56.1-30.1-174.9-160.4176.6177.8-175.10113.5S298 I307 C311 I312S298-K309 PolarHBondContact OG-NZ 2.94Å; I307-K309 PolarHBondContact O-N 3.01Å; K309-C311 VanDerWaalsContact C-N 3.3Å; K309-C311 PolarHBondContact O-N 3.07Å; K309-I312 PolarHBondContact O-N 3.38Å
310D60.1Low73.3Confident65 Ų6568.4 Ų68.435%0.34838%0.378SS..G310 helixtrans-74.6-19.6177.6-52-37.4000113.4R308 I312R308-D310 PolarHBondContact O-N 2.91Å; R308-D310 VanDerWaalsContact O-N 3.08Å; D310-I312 PolarHBondContact O-N 2.74Å
311C72.3Confident75.7Confident4 Ų462.4 Ų62.43%0.02735%0.354CS..G310 helixtrans-81.7-2.4176.3-51.90000112.6G236 A239 I307 R308 K309G236-C311 WeakPolarHBondContact CA-SG 3.34Å; A239-C311 VanDerWaalsContact CA-O 3.28Å; A239-C311 WeakPolarHBondContact CA-O 3.44Å; A239-C311 WeakPolarHBondContact CB-O 3.49Å; I307-C311 HydrophobicContact CG2-CB 3.71Å; R308-C311 WeakPolarHBondContact O-CA 3.3Å; R308-C311 VanDerWaalsContact O-CB 3.28Å; R308-C311 WeakPolarHBondContact O-CB 3.45Å; R308-C311 PolarHBondContact O-N 3.02Å; K309-C311 VanDerWaalsContact C-N 3.3Å; K309-C311 PolarHBondContact O-N 3.07Å
312I87.4Confident78.3Confident30 Ų3060.2 Ų60.215%0.15434%0.336CS..SBendtrans-94.2135.3-177.6-57.7177000109.7L255 R293 T303 I307 K309 D310 V314L255-I312 HydrophobicContact CD2-CG2 4.1Å; R293-I312 PolarHBondContact NH2-O 2.97Å; T303-I312 HydrophobicContact CG2-CD1 3.5Å; I307-I312 HydrophobicContact CG2-CD1 4.44Å; I307-I312 HydrophobicContact CG2-CG1 3.81Å; K309-I312 PolarHBondContact O-N 3.38Å; D310-I312 PolarHBondContact O-N 2.74Å; I312-V314 PolarHBondContact O-N 3.4Å
313P95.3Very high80.6Confident7 Ų757.2 Ų57.25%0.04533%0.329CS..  trans-51.9122.7167.2-26.133.7000111.8L251 L255 L256 F281 W283L251-P313 HydrophobicContact CD1-CG 4.46Å; L255-P313 HydrophobicContact CB-CB 4.45Å; L255-P313 HydrophobicContact CB-CG 4Å; L255-P313 HydrophobicContact CD1-CG 4.42Å; L256-P313 HydrophobicContact CD2-CB 3.55Å; L256-P313 HydrophobicContact CD2-CG 4.12Å; F281-P313 HydrophobicContact CB-CB 4.15Å; F281-P313 HydrophobicContact CD1-CB 4.3Å; W283-P313 HydrophobicContact CD2-CB 4.16Å; W283-P313 HydrophobicContact CD2-CG 3.76Å; W283-P313 HydrophobicContact CE3-CB 3.67Å; W283-P313 HydrophobicContact CE3-CG 3.72Å; W283-P313 HydrophobicContact CG-CG 4.15Å; W283-P313 HydrophobicContact CZ3-CB 4.14Å; W283-P313 HydrophobicContact CZ3-CG 4.18Å
314V95.2Very high82.7Confident55 Ų5558 Ų5833%0.33333%0.33SS..EExtended strand (participates in β ladder)trans-126139.1174.6177.60000109.2F281 T282 R293 I312F281-V314 CarbonylContact C-O 3.55Å; F281-V314 VanDerWaalsContact CA-O 3.27Å; F281-V314 WeakPolarHBondContact CA-O 3.16Å; T282-V314 PolarHBondContact N-O 2.89Å; T282-V314 PolarHBondContact O-N 2.9Å; R293-V314 VanDerWaalsContact NH1-CG2 3.28Å; I312-V314 PolarHBondContact O-N 3.4Å
315E96.3Very high85.1Confident55 Ų5553.2 Ų53.226%0.25729%0.294SS..EExtended strand (participates in β ladder)trans-69.3137.8179.6-178.6175.7-15800112.1R279 V280 F281 T317R279-E315 WeakPolarHBondContact CG-OE1 3.38Å; R279-E315 IonicContact CZ-OE1 2.74Å; R279-E315 IonicContact CZ-OE2 3.71Å; R279-E315 VanDerWaalsContact NE-CD 3.27Å; R279-E315 IonicContact NE-OE1 3.17Å; R279-E315 PolarHBondContact NE-OE1 3.35Å; R279-E315 IonicContact NE-OE2 2.67Å; R279-E315 PolarHBondContact NE-OE2 3.26Å; R279-E315 IonicContact NH2-OE1 3.72Å; R279-E315 IonicContact NH2-OE2 2.66Å; R279-E315 PolarHBondContact NH2-OE2 2.94Å; V280-E315 CarbonylContact O-C 3.37Å; V280-E315 VanDerWaalsContact O-CA 3.25Å; V280-E315 WeakPolarHBondContact O-CA 3.44Å; F281-E315 HydrophobicContact CD1-CB 4.1Å; F281-E315 HydrophobicContact CE1-CB 3.93Å; F281-E315 HydrophobicContact CZ-CB 4.32Å; E315-T317 HydrophobicContact CG-CG2 4.05Å
316V97.3Very high87.2Confident7 Ų749.5 Ų49.54%0.04228%0.277CS..  trans-108.494.7169.1-175.40000107.6V280 T282 L291 S318 L319 P362V280-V316 PolarHBondContact O-N 3.04Å; T282-V316 HydrophobicContact CG2-CG2 3.71Å; T282-V316 WeakPolarHBondContact OG1-CG2 3.36Å; L291-V316 WeakPolarHBondContact O-CG2 3.25Å; V316-S318 PolarHBondContact O-N 3.28Å; V316-L319 HydrophobicContact CB-CD1 4.01Å; V316-L319 HydrophobicContact CB-CG 4.28Å; V316-L319 HydrophobicContact CG1-CD1 3.84Å; V316-L319 HydrophobicContact CG1-CG 3.83Å; V316-L319 PolarHBondContact O-N 3.31Å; V316-P362 HydrophobicContact CG1-CG 4.07Å
317T96.4Very high89.1Confident106 Ų10648.6 Ų48.665%0.6527%0.265SS*.G310 helixtrans-63.6-27.6-168.653.30000113.8E315 L319 H320E315-T317 HydrophobicContact CG-CG2 4.05Å; T317-L319 PolarHBondContact O-N 3.28Å; T317-H320 WeakPolarHBondContact O-CB 3.21Å; T317-H320 PolarHBondContact O-N 2.97Å
318S96.2Very high90.8Very high62 Ų6248 Ų4843%0.43426%0.263SS..G310 helixtrans-66.8-15.1175.853.70000113.6V316V316-S318 PolarHBondContact O-N 3.28Å
319L98.2Very high92.4Very high0 Ų041.3 Ų41.30%024%0.239CC..G310 helixtrans-98.24177.8-59.7179.3000113V280 V316 T317 G321 A322 A334 V336 L341 W343 P362V280-L319 HydrophobicContact CB-CB 3.78Å; V280-L319 HydrophobicContact CB-CD1 4.5Å; V280-L319 HydrophobicContact CG1-CB 4.03Å; V280-L319 HydrophobicContact CG1-CD1 3.85Å; V280-L319 HydrophobicContact CG2-CB 3.86Å; V280-L319 VanDerWaalsContact CG2-O 3.26Å; V280-L319 WeakPolarHBondContact CG2-O 3.3Å; V316-L319 HydrophobicContact CB-CD1 4.01Å; V316-L319 HydrophobicContact CB-CG 4.28Å; V316-L319 HydrophobicContact CG1-CD1 3.84Å; V316-L319 HydrophobicContact CG1-CG 3.83Å; V316-L319 PolarHBondContact O-N 3.31Å; T317-L319 PolarHBondContact O-N 3.28Å; L319-G321 PolarHBondContact O-N 3.35Å; L319-A322 WeakPolarHBondContact O-CB 2.94Å; L319-A322 PolarHBondContact O-N 3.24Å; L319-A334 HydrophobicContact CD2-CB 3.91Å; L319-V336 HydrophobicContact CD2-CG2 4.05Å; L319-L341 HydrophobicContact CD2-CD1 3.96Å; L319-W343 HydrophobicContact CD1-CH2 3.5Å; L319-W343 VanDerWaalsContact CD1-CH2 3.5Å; L319-W343 HydrophobicContact CD1-CZ2 3.69Å; L319-W343 HydrophobicContact CD1-CZ3 4.18Å; L319-W343 HydrophobicContact CD2-CH2 4.03Å; L319-W343 HydrophobicContact CD2-CZ3 3.92Å; L319-W343 HydrophobicContact CG-CH2 4.43Å; L319-P362 HydrophobicContact CD1-CG 4.22Å; L319-P362 HydrophobicContact CD2-CB 3.95Å; L319-P362 HydrophobicContact CD2-CG 3.82Å; L319-P362 HydrophobicContact CG-CG 3.99Å
320H97.9Very high94.1Very high96 Ų9637.8 Ų37.844%0.44422%0.224SC..THydrogen-bonded Turntrans-57.8128.7178.4-174.998.2000110.8S277 G278 R279 T317 A322S277-H320 PolarHBondContact O-CE1 3.24Å; G278-H320 WeakPolarHBondContact O-CA 3.26Å; R279-H320 WeakPolarHBondContact CG-ND1 3.1Å; T317-H320 WeakPolarHBondContact O-CB 3.21Å; T317-H320 PolarHBondContact O-N 2.97Å; H320-A322 VanDerWaalsContact C-N 3.32Å
321G97.4Very high95.9Very high38 Ų3834.7 Ų34.739%0.39221%0.207SC..THydrogen-bonded Turntrans74.918.3-178.500000114.4G278 L319 T323G278-G321 PolarHBondContact O-N 2.91Å; L319-G321 PolarHBondContact O-N 3.35Å; G321-T323 PolarHBondContact O-N 2.78Å
322A98.4Very high97.2Very high5 Ų534.5 Ų34.54%0.04121%0.206CC..  trans-52.9133.1170.700000111.1Q274 V280 L319 H320 I325 I335 V336Q274-A322 PolarHBondContact NE2-O 3.42Å; V280-A322 HydrophobicContact CG2-CB 4.5Å; L319-A322 WeakPolarHBondContact O-CB 2.94Å; L319-A322 PolarHBondContact O-N 3.24Å; H320-A322 VanDerWaalsContact C-N 3.32Å; A322-I325 HydrophobicContact CB-CD1 3.92Å; A322-I325 HydrophobicContact CB-CG1 3.76Å; A322-I335 CarbonylContact C-O 3.56Å; A322-I335 VanDerWaalsContact CA-O 3.27Å; A322-I335 WeakPolarHBondContact CA-O 3.33Å; A322-V336 HydrophobicContact CB-CG2 3.87Å
323T98.3Very high97.7Very high98 Ų9833 Ų3360%0.60120%0.199SC*.SBendtrans-88.8-25.6177.554.60000112.3G321 I335G321-T323 PolarHBondContact O-N 2.78Å; T323-I335 PolarHBondContact N-O 2.84Å; T323-I335 WeakPolarHBondContact OG1-CB 3.22Å; T323-I335 WeakPolarHBondContact OG1-CG2 3.5Å; T323-I335 PolarHBondContact OG1-O 3.06Å
324Q98.5Very high97.9Very high55 Ų5532.7 Ų32.726%0.25720%0.196SC..EExtended strand (participates in β ladder)trans-143.5144.4173-67.4179.938.300109.4A334 I335 V371 I373Q324-A334 CarbonylContact O-C 3.54Å; Q324-A334 WeakPolarHBondContact O-CA 3.41Å; Q324-I335 HydrophobicContact CB-CB 4.39Å; Q324-I335 HydrophobicContact CB-CD1 4.21Å; Q324-I335 HydrophobicContact CB-CG1 4.26Å; Q324-I335 HydrophobicContact CG-CD1 4.31Å; Q324-I335 PolarHBondContact O-N 3.22Å; Q324-V371 PolarHBondContact NE2-O 3.3Å; Q324-I373 HydrophobicContact CB-CD1 3.82Å; Q324-I373 HydrophobicContact CB-CG1 3.84Å; Q324-I373 VanDerWaalsContact OE1-N 3.1Å
325I98.7Very high98Very high29 Ų2930.3 Ų30.315%0.14918%0.182CC..EExtended strand (participates in β ladder)trans-140.7128.8170.4-52.2174.9000106.8V272 V280 A322 L333 A334 W343V272-I325 HydrophobicContact CG1-CD1 4.22Å; V272-I325 HydrophobicContact CG1-CG2 4.03Å; V280-I325 HydrophobicContact CB-CD1 4.38Å; V280-I325 HydrophobicContact CG1-CD1 3.77Å; V280-I325 HydrophobicContact CG2-CD1 3.63Å; A322-I325 HydrophobicContact CB-CD1 3.92Å; A322-I325 HydrophobicContact CB-CG1 3.76Å; I325-L333 WeakPolarHBondContact CA-O 3.06Å; I325-A334 HydrophobicContact CG1-CB 4.19Å; I325-W343 HydrophobicContact CG2-CH2 4.47Å
326V98.8Very high98.1Very high34 Ų3429 Ų2921%0.20618%0.177CC..EExtended strand (participates in β ladder)trans-131.2152.4174.2-63.50000109.8N332 L333 I373 C375V326-N332 WeakPolarHBondContact O-CA 3.39Å; V326-L333 HydrophobicContact CG2-CB 3.81Å; V326-L333 HydrophobicContact CG2-CD1 4.38Å; V326-L333 HydrophobicContact CG2-CG 4.43Å; V326-L333 PolarHBondContact N-O 3.24Å; V326-L333 PolarHBondContact O-N 3.32Å; V326-I373 HydrophobicContact CG1-CG1 4.18Å; V326-I373 HydrophobicContact CG2-CB 4.14Å; V326-I373 HydrophobicContact CG2-CD1 3.8Å; V326-I373 HydrophobicContact CG2-CG1 3.86Å; V326-C375 VanDerWaalsContact CG2-SG 3.57Å
327C98.5Very high98Very high22 Ų2232.1 Ų32.115%0.14921%0.211CC..EExtended strand (participates in β ladder)trans-119131.9178.5-630000109.2C265 S266 N332C265-C327 PolarHBondContact SG-SG 2.9Å; S266-C327 WeakPolarHBondContact O-CB 3.37Å; C327-N332 PolarHBondContact SG-OD1 2.9Å
328G98.4Very high97.9Very high7 Ų729.1 Ų29.17%0.07220%0.201CC..  trans-80.7-155.4157.600000110.8G267 H331 G376G267-G328 VanDerWaalsContact CA-O 3.28Å; G267-G328 WeakPolarHBondContact CA-O 3.26Å; G328-H331 PolarHBondContact N-O 3.05Å; G328-G376 WeakPolarHBondContact CA-O 3.21Å
329S97.9Very high97.9Very high5 Ų529 Ų294%0.03520%0.199CC..SBendtrans-63.5-52.1177.162.80000111.4W268 A377W268-S329 WeakPolarHBondContact CB-O 3.22Å; W268-S329 VanDerWaalsContact CD2-CB 3.41Å; W268-S329 VanDerWaalsContact CE2-CB 3.4Å; W268-S329 PolarHBondContact N-O 3.09Å; S329-A377 WeakPolarHBondContact CB-O 3.22Å; S329-A377 PolarHBondContact N-O 2.85Å; S329-A377 PolarHBondContact OG-O 3.33Å
330E98Very high97.9Very high13 Ų1329 Ų296%0.06120%0.199CC..SBendtrans-139.913.5-172.2-58.4-68.5163.300111.3T269 Q290 W345T269-E330 WeakPolarHBondContact CG2-OE1 3.34Å; T269-E330 VanDerWaalsContact OG1-CD 3.32Å; T269-E330 PolarHBondContact OG1-OE1 3.04Å; T269-E330 PolarHBondContact OG1-OE2 3.19Å; Q290-E330 HydrophobicContact CG-CB 4.16Å; Q290-E330 WeakPolarHBondContact CG-O 3.22Å; Q290-E330 PolarHBondContact NE2-OE2 2.76Å; E330-W345 HydrophobicContact CB-CB 3.71Å; E330-W345 HydrophobicContact CB-CE3 4.43Å; E330-W345 HydrophobicContact CB-CG 4.39Å; E330-W345 PolarHBondContact O-N 2.87Å
331H98.8Very high97.9Very high0 Ų025.5 Ų25.50%018%0.184CC..EExtended strand (participates in β ladder)trans-131.3168.4174.577.2-73.3000110.5G328 W343 W345 M350 H379 S380G328-H331 PolarHBondContact N-O 3.05Å; H331-W343 CarbonylContact C-O 3.55Å; H331-W343 WeakPolarHBondContact CA-O 3.49Å; H331-W345 WeakPolarHBondContact CB-O 3.22Å; H331-M350 HydrophobicContact CB-CG 4.01Å; H331-H379 PolarHBondContact CE1-O 3.34Å; H331-H379 PolarHBondContact NE2-O 3.33Å; H331-S380 PolarHBondContact CD2-OG 3.16Å; H331-S380 VanDerWaalsContact CD2-OG 3.28Å; H331-S380 PolarHBondContact NE2-OG 3.1Å
332N98.8Very high98Very high0 Ų023.7 Ų23.70%017%0.165CC..EExtended strand (participates in β ladder)trans-142.9152.3-173.5-47.5-89.6000110.8H270 Q290 V326 C327 S342 W343H270-N332 PolarHBondContact NE2-OD1 3.18Å; Q290-N332 PolarHBondContact O-ND2 3.27Å; V326-N332 WeakPolarHBondContact O-CA 3.39Å; C327-N332 PolarHBondContact SG-OD1 2.9Å; N332-S342 VanDerWaalsContact O-CA 3.3Å; N332-S342 WeakPolarHBondContact O-CA 3.21Å; N332-W343 HydrophobicContact CB-CD2 3.82Å; N332-W343 VanDerWaalsContact CB-CE2 3.43Å; N332-W343 HydrophobicContact CB-CE3 4.06Å; N332-W343 HydrophobicContact CB-CH2 3.59Å; N332-W343 HydrophobicContact CB-CZ2 3.33Å; N332-W343 HydrophobicContact CB-CZ3 3.95Å; N332-W343 PolarHBondContact N-O 3.44Å; N332-W343 PolarHBondContact ND2-NE1 3.47Å; N332-W343 PolarHBondContact ND2-O 3.12Å; N332-W343 PolarHBondContact O-N 3.49Å; N332-W343 VanDerWaalsContact O-N 3.16Å
333L98.8Very high98Very high0 Ų023.5 Ų23.50%016%0.164CC..EExtended strand (participates in β ladder)trans-125.3148.2166.7-58.3178.4000109.8W14 I325 V326 L340 L341 I373 S380W14-L333 HydrophobicContact CH2-CD1 4.21Å; W14-L333 HydrophobicContact CZ2-CD1 4.11Å; W14-L333 HydrophobicContact CZ2-CD2 3.91Å; I325-L333 WeakPolarHBondContact CA-O 3.06Å; V326-L333 HydrophobicContact CG2-CB 3.81Å; V326-L333 HydrophobicContact CG2-CD1 4.38Å; V326-L333 HydrophobicContact CG2-CG 4.43Å; V326-L333 PolarHBondContact N-O 3.24Å; V326-L333 PolarHBondContact O-N 3.32Å; L333-L340 HydrophobicContact CB-CD1 4.3Å; L333-L340 HydrophobicContact CD2-CD1 4.42Å; L333-L341 CarbonylContact C-O 3.15Å; L333-L341 VanDerWaalsContact CA-O 3.27Å; L333-L341 WeakPolarHBondContact CA-O 3.38Å; L333-I373 HydrophobicContact CB-CB 4.46Å; L333-I373 HydrophobicContact CB-CD1 3.84Å; L333-I373 HydrophobicContact CD1-CB 4.25Å; L333-I373 HydrophobicContact CD1-CG2 4.44Å; L333-S380 WeakPolarHBondContact CD1-OG 3.37Å
334A98.7Very high98Very high0 Ų018.8 Ų18.80%014%0.135CC..EExtended strand (participates in β ladder)trans-141.6146.8169.700000111.5L319 Q324 I325 V336 L341 W343L319-A334 HydrophobicContact CD2-CB 3.91Å; Q324-A334 CarbonylContact O-C 3.54Å; Q324-A334 WeakPolarHBondContact O-CA 3.41Å; I325-A334 HydrophobicContact CG1-CB 4.19Å; A334-V336 HydrophobicContact CB-CG2 4.23Å; A334-L341 PolarHBondContact N-O 2.9Å; A334-L341 PolarHBondContact O-N 3.44Å; A334-W343 HydrophobicContact CB-CH2 4.04Å; A334-W343 HydrophobicContact CB-CZ3 3.8Å
335I98.4Very high98Very high5 Ų518.6 Ų18.63%0.02613%0.132CC..EExtended strand (participates in β ladder)trans-99.7116.2165.5-56.2176.8000107.8A322 T323 Q324 C339 P370 I373A322-I335 CarbonylContact C-O 3.56Å; A322-I335 VanDerWaalsContact CA-O 3.27Å; A322-I335 WeakPolarHBondContact CA-O 3.33Å; T323-I335 PolarHBondContact N-O 2.84Å; T323-I335 WeakPolarHBondContact OG1-CB 3.22Å; T323-I335 WeakPolarHBondContact OG1-CG2 3.5Å; T323-I335 PolarHBondContact OG1-O 3.06Å; Q324-I335 HydrophobicContact CB-CB 4.39Å; Q324-I335 HydrophobicContact CB-CD1 4.21Å; Q324-I335 HydrophobicContact CB-CG1 4.26Å; Q324-I335 HydrophobicContact CG-CD1 4.31Å; Q324-I335 PolarHBondContact O-N 3.22Å; I335-C339 WeakPolarHBondContact CA-O 3.45Å; I335-P370 HydrophobicContact CD1-CB 3.82Å; I335-P370 HydrophobicContact CD1-CG 3.96Å; I335-P370 HydrophobicContact CG1-CB 4.13Å; I335-P370 HydrophobicContact CG1-CG 3.86Å; I335-P370 HydrophobicContact CG2-CG 4.3Å; I335-I373 HydrophobicContact CD1-CG1 4.38Å; I335-I373 HydrophobicContact CD1-CG2 4.08Å; I335-I373 HydrophobicContact CG1-CD1 4.02Å; I335-I373 HydrophobicContact CG1-CG1 4.28Å; I335-I373 HydrophobicContact CG1-CG2 3.97Å
336V97.8Very high98Very high27 Ų2717.2 Ų17.216%0.16413%0.125CC..EExtended strand (participates in β ladder)trans-127.1120.6177.9-173.50000108.5L319 A322 A334 G338 C339 L341L319-V336 HydrophobicContact CD2-CG2 4.05Å; A322-V336 HydrophobicContact CB-CG2 3.87Å; A334-V336 HydrophobicContact CB-CG2 4.23Å; V336-G338 PolarHBondContact O-N 2.82Å; V336-G338 VanDerWaalsContact O-N 3.15Å; V336-C339 PolarHBondContact N-O 2.94Å; V336-C339 WeakPolarHBondContact O-CB 3.34Å; V336-C339 PolarHBondContact O-N 3.42Å; V336-L341 HydrophobicContact CB-CD1 4.04Å; V336-L341 HydrophobicContact CG2-CD1 3.73Å; V336-L341 HydrophobicContact CG2-CG 4.47Å
337G95.6Very high97.9Very high72 Ų7221 Ų2174%0.74214%0.14SC*.THydrogen-bonded Turntrans57.329.6-177.700000113.9C339G337-C339 VanDerWaalsContact C-N 3.28Å; G337-C339 PolarHBondContact O-N 3.04Å
338G94.4Very high97.9Very high44 Ų4422.7 Ų22.745%0.45415%0.146SC..THydrogen-bonded Turntrans79.41.5-176.200000115.4V336V336-G338 PolarHBondContact O-N 2.82Å; V336-G338 VanDerWaalsContact O-N 3.15Å
339C96.1Very high97.8Very high58 Ų5822.3 Ų22.339%0.39214%0.142SC..EExtended strand (participates in β ladder)trans-97.7143.1177.5-60.90000111.1I335 V336 G337 L364I335-C339 WeakPolarHBondContact CA-O 3.45Å; V336-C339 PolarHBondContact N-O 2.94Å; V336-C339 WeakPolarHBondContact O-CB 3.34Å; V336-C339 PolarHBondContact O-N 3.42Å; G337-C339 VanDerWaalsContact C-N 3.28Å; G337-C339 PolarHBondContact O-N 3.04Å; C339-L364 HydrophobicContact CB-CD1 3.71Å
340L98.1Very high97.8Very high1 Ų122.1 Ų22.11%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-83.6120.4173.1-175.457.6000110.7W14 L333 L364 V365 L368 P370 I373 A382W14-L340 HydrophobicContact CH2-CD2 3.65Å; W14-L340 HydrophobicContact CZ2-CD2 4.06Å; L333-L340 HydrophobicContact CB-CD1 4.3Å; L333-L340 HydrophobicContact CD2-CD1 4.42Å; L340-L364 WeakPolarHBondContact O-CA 3.32Å; L340-V365 HydrophobicContact CB-CB 4.37Å; L340-V365 HydrophobicContact CD2-CB 3.85Å; L340-V365 HydrophobicContact CD2-CG1 4.03Å; L340-V365 HydrophobicContact CD2-CG2 4.5Å; L340-V365 HydrophobicContact CG-CB 3.96Å; L340-V365 HydrophobicContact CG-CG2 4.34Å; L340-V365 PolarHBondContact O-N 3.13Å; L340-L368 HydrophobicContact CD2-CD1 3.99Å; L340-P370 HydrophobicContact CB-CG 3.93Å; L340-I373 HydrophobicContact CD1-CG2 3.62Å; L340-A382 HydrophobicContact CD2-CB 4.26Å
341L98.4Very high97.8Very high22 Ų2221.5 Ų21.512%0.11514%0.138CC..EExtended strand (participates in β ladder)trans-110.1141.4171.4-54.7-178.5000110.6L319 L333 A334 V336 P362 R363 L364L319-L341 HydrophobicContact CD2-CD1 3.96Å; L333-L341 CarbonylContact C-O 3.15Å; L333-L341 VanDerWaalsContact CA-O 3.27Å; L333-L341 WeakPolarHBondContact CA-O 3.38Å; A334-L341 PolarHBondContact N-O 2.9Å; A334-L341 PolarHBondContact O-N 3.44Å; V336-L341 HydrophobicContact CB-CD1 4.04Å; V336-L341 HydrophobicContact CG2-CD1 3.73Å; V336-L341 HydrophobicContact CG2-CG 4.47Å; L341-P362 HydrophobicContact CB-CB 4.15Å; L341-P362 HydrophobicContact CD1-CB 3.98Å; L341-R363 CarbonylContact C-O 3.49Å; L341-R363 WeakPolarHBondContact CA-O 3.38Å; L341-L364 HydrophobicContact CD2-CB 4.35Å; L341-L364 HydrophobicContact CD2-CD1 4.36Å
342S98.5Very high97.8Very high1 Ų121.7 Ų21.71%0.00714%0.14CC..EExtended strand (participates in β ladder)trans-130.8151.3172.271.70000112.1N332 C351 R363 V365N332-S342 VanDerWaalsContact O-CA 3.3Å; N332-S342 WeakPolarHBondContact O-CA 3.21Å; S342-C351 WeakPolarHBondContact CB-O 3.33Å; S342-C351 PolarHBondContact OG-O 3.21Å; S342-R363 PolarHBondContact N-O 3.23Å; S342-R363 PolarHBondContact O-N 3.03Å; S342-V365 WeakPolarHBondContact OG-CG2 3.22Å
343W98.6Very high97.6Very high0 Ų024.3 Ų24.30%015%0.154CC..EExtended strand (participates in β ladder)trans-164.1162.5171.669.395.8000112.4G289 Q290 L319 I325 H331 N332 A334 V359 P362G289-W343 VanDerWaalsContact O-CD1 3.28Å; Q290-W343 PolarHBondContact O-NE1 3.49Å; L319-W343 HydrophobicContact CD1-CH2 3.5Å; L319-W343 VanDerWaalsContact CD1-CH2 3.5Å; L319-W343 HydrophobicContact CD1-CZ2 3.69Å; L319-W343 HydrophobicContact CD1-CZ3 4.18Å; L319-W343 HydrophobicContact CD2-CH2 4.03Å; L319-W343 HydrophobicContact CD2-CZ3 3.92Å; L319-W343 HydrophobicContact CG-CH2 4.43Å; I325-W343 HydrophobicContact CG2-CH2 4.47Å; H331-W343 CarbonylContact C-O 3.55Å; H331-W343 WeakPolarHBondContact CA-O 3.49Å; N332-W343 HydrophobicContact CB-CD2 3.82Å; N332-W343 VanDerWaalsContact CB-CE2 3.43Å; N332-W343 HydrophobicContact CB-CE3 4.06Å; N332-W343 HydrophobicContact CB-CH2 3.59Å; N332-W343 HydrophobicContact CB-CZ2 3.33Å; N332-W343 HydrophobicContact CB-CZ3 3.95Å; N332-W343 PolarHBondContact N-O 3.44Å; N332-W343 PolarHBondContact ND2-NE1 3.47Å; N332-W343 PolarHBondContact ND2-O 3.12Å; N332-W343 PolarHBondContact O-N 3.49Å; N332-W343 VanDerWaalsContact O-N 3.16Å; A334-W343 HydrophobicContact CB-CH2 4.04Å; A334-W343 HydrophobicContact CB-CZ3 3.8Å; W343-V359 HydrophobicContact CB-CB 4.47Å; W343-V359 HydrophobicContact CB-CG1 3.97Å; W343-V359 WeakPolarHBondContact CB-O 3.22Å; W343-P362 HydrophobicContact CD2-CB 4.3Å; W343-P362 HydrophobicContact CD2-CG 3.86Å; W343-P362 HydrophobicContact CE3-CB 3.82Å; W343-P362 HydrophobicContact CE3-CG 3.8Å; W343-P362 HydrophobicContact CG-CG 4.29Å; W343-P362 HydrophobicContact CZ3-CB 4.36Å; W343-P362 HydrophobicContact CZ3-CG 4.3Å
344G98.3Very high97.5Very high0 Ų026.6 Ų26.60%018%0.177CC..EExtended strand (participates in β ladder)trans115.8-155.4178.300000113Y288 V359Y288-G344 CarbonylContact O-C 3.56Å; Y288-G344 VanDerWaalsContact O-CA 3.3Å; Y288-G344 WeakPolarHBondContact O-CA 3.47Å; G344-V359 PolarHBondContact N-O 2.75Å; G344-V359 PolarHBondContact O-N 2.76Å
345W98.1Very high97.5Very high50 Ų5028.4 Ų28.419%0.18919%0.19CC..  trans-62.1134.1-179.6-179.559.4000110.9Y288 E330 H331 E347 H348 M350 D358Y288-W345 HydrophobicContact CD2-CB 4.46Å; Y288-W345 HydrophobicContact CG-CB 4.35Å; Y288-W345 HydrophobicContact CG-CG 4.5Å; Y288-W345 PolarHBondContact O-N 2.86Å; E330-W345 HydrophobicContact CB-CB 3.71Å; E330-W345 HydrophobicContact CB-CE3 4.43Å; E330-W345 HydrophobicContact CB-CG 4.39Å; E330-W345 PolarHBondContact O-N 2.87Å; H331-W345 WeakPolarHBondContact CB-O 3.22Å; W345-E347 HydrophobicContact CH2-CB 4.47Å; W345-E347 HydrophobicContact CZ2-CB 3.56Å; W345-E347 HydrophobicContact CZ2-CG 4.35Å; W345-E347 VanDerWaalsContact CZ2-OE2 3.25Å; W345-E347 WeakPolarHBondContact CZ2-OE2 3.25Å; W345-E347 PolarHBondContact NE1-OE2 3.35Å; W345-H348 AromaticContact CH2-CD2 3.64Å; W345-M350 HydrophobicContact CD2-CE 4.38Å; W345-M350 HydrophobicContact CE3-CE 3.51Å; W345-M350 HydrophobicContact CE3-SD 4.18Å; W345-M350 HydrophobicContact CH2-CE 4.05Å; W345-M350 HydrophobicContact CZ3-CE 3.31Å; W345-M350 HydrophobicContact CZ3-SD 4.49Å; W345-M350 WeakPolarHBondContact O-CG 3.35Å; W345-D358 WeakPolarHBondContact CA-OD1 3.04Å
346N98.3Very high97.4Very high0 Ų033.8 Ų33.80%022%0.215CC..  trans-133.416.2-168.7-16229.6000115.1H348 G349 M350 C351 D353 S355 Q356 A357 D358N346-H348 PolarHBondContact O-N 3.44Å; N346-G349 PolarHBondContact O-N 3.01Å; N346-G349 WeakPolarHBondContact OD1-CA 3.24Å; N346-M350 VanDerWaalsContact C-SD 3.52Å; N346-M350 WeakPolarHBondContact CA-SD 3.33Å; N346-M350 PolarHBondContact OD1-N 2.98Å; N346-M350 VanDerWaalsContact OD1-N 3.11Å; N346-C351 HydrophobicContact CB-CB 4.3Å; N346-C351 VanDerWaalsContact OD1-CB 3.28Å; N346-C351 WeakPolarHBondContact OD1-CB 3.23Å; N346-C351 PolarHBondContact OD1-N 3.13Å; N346-D353 PolarHBondContact ND2-OD1 2.81Å; N346-S355 PolarHBondContact ND2-O 3.29Å; N346-S355 VanDerWaalsContact ND2-O 3.16Å; N346-S355 PolarHBondContact ND2-OG 2.99Å; N346-Q356 CarbonylContact C-O 3.59Å; N346-Q356 CarbonylContact O-C 3.57Å; N346-Q356 WeakPolarHBondContact O-CA 3.19Å; N346-A357 WeakPolarHBondContact CB-O 3.29Å; N346-A357 PolarHBondContact ND2-O 2.82Å; N346-D358 PolarHBondContact N-OD1 2.81Å
347E97.6Very high97.4Very high114 Ų11435.5 Ų35.553%0.53323%0.231SC..THydrogen-bonded Turntrans-58.1-28.1-171.7-171.3172.2178.300114.2W345 Q356W345-E347 HydrophobicContact CH2-CB 4.47Å; W345-E347 HydrophobicContact CZ2-CB 3.56Å; W345-E347 HydrophobicContact CZ2-CG 4.35Å; W345-E347 VanDerWaalsContact CZ2-OE2 3.25Å; W345-E347 WeakPolarHBondContact CZ2-OE2 3.25Å; W345-E347 PolarHBondContact NE1-OE2 3.35Å; E347-Q356 WeakPolarHBondContact O-CG 3.19Å; E347-Q356 PolarHBondContact O-NE2 2.85Å
348H97.4Very high97.5Very high57 Ų5734.3 Ų34.326%0.26421%0.208SC..THydrogen-bonded Turntrans-103.512.1175.3-63.1-82.9000113.6G15 A16 D29 W345 N346 M350G15-H348 CarbonylContact C-O 3.17Å; G15-H348 VanDerWaalsContact C-O 3.28Å; G15-H348 VanDerWaalsContact CA-O 3.25Å; G15-H348 WeakPolarHBondContact CA-O 3.44Å; A16-H348 HydrophobicContact CB-CB 3.8Å; D29-H348 IonicContact OD2-CE1 3.7Å; D29-H348 IonicContact OD2-CG 3.58Å; D29-H348 IonicContact OD2-ND1 3.45Å; D29-H348 PolarHBondContact OD2-ND1 3.15Å; W345-H348 AromaticContact CH2-CD2 3.64Å; N346-H348 PolarHBondContact O-N 3.44Å; H348-M350 HydrophobicContact CB-CE 3.78Å; H348-M350 HydrophobicContact CB-SD 4.22Å
349G97.8Very high97.7Very high0 Ų032.2 Ų32.20%019%0.186CC..SBendtrans76.519.2179.200000114.9N346 C351 G352 S355N346-G349 PolarHBondContact O-N 3.01Å; N346-G349 WeakPolarHBondContact OD1-CA 3.24Å; G349-C351 PolarHBondContact O-N 2.75Å; G349-G352 PolarHBondContact O-N 3.13Å; G349-S355 WeakPolarHBondContact CA-O 3.49Å
350M97.6Very high97.7Very high0 Ų033.5 Ų33.50%019%0.186CC..THydrogen-bonded Turntrans-65.4-11.8-179.457.7-82-7800114.7W14 H331 W345 N346 H348 G378 S380W14-M350 PolarHBondContact NE1-O 3.07Å; H331-M350 HydrophobicContact CB-CG 4.01Å; W345-M350 HydrophobicContact CD2-CE 4.38Å; W345-M350 HydrophobicContact CE3-CE 3.51Å; W345-M350 HydrophobicContact CE3-SD 4.18Å; W345-M350 HydrophobicContact CH2-CE 4.05Å; W345-M350 HydrophobicContact CZ3-CE 3.31Å; W345-M350 HydrophobicContact CZ3-SD 4.49Å; W345-M350 WeakPolarHBondContact O-CG 3.35Å; N346-M350 VanDerWaalsContact C-SD 3.52Å; N346-M350 WeakPolarHBondContact CA-SD 3.33Å; N346-M350 PolarHBondContact OD1-N 2.98Å; N346-M350 VanDerWaalsContact OD1-N 3.11Å; H348-M350 HydrophobicContact CB-CE 3.78Å; H348-M350 HydrophobicContact CB-SD 4.22Å; M350-G378 WeakPolarHBondContact CE-O 3.5Å; M350-S380 PolarHBondContact O-OG 2.94Å; M350-S380 VanDerWaalsContact O-OG 3.1Å
351C98.1Very high97.6Very high0 Ų037.2 Ų37.20%020%0.203CC..THydrogen-bonded Turntrans-80.3-15.9168.5-65.20000112.7S342 N346 G349 D353 V359 V365S342-C351 WeakPolarHBondContact CB-O 3.33Å; S342-C351 PolarHBondContact OG-O 3.21Å; N346-C351 HydrophobicContact CB-CB 4.3Å; N346-C351 VanDerWaalsContact OD1-CB 3.28Å; N346-C351 WeakPolarHBondContact OD1-CB 3.23Å; N346-C351 PolarHBondContact OD1-N 3.13Å; G349-C351 PolarHBondContact O-N 2.75Å; C351-D353 VanDerWaalsContact C-N 3.32Å; C351-D353 PolarHBondContact O-N 3.06Å; C351-V359 HydrophobicContact CB-CB 4.42Å; C351-V359 HydrophobicContact CB-CG2 3.78Å; C351-V365 WeakPolarHBondContact O-CG2 3.15Å
352G97.6Very high97.5Very high4 Ų437.2 Ų37.24%0.04120%0.204CC..  trans74.615.9170.700000115.3C31 P33 G349 G354C31-G352 CarbonylContact O-C 3.56Å; C31-G352 VanDerWaalsContact O-CA 3.23Å; C31-G352 WeakPolarHBondContact O-CA 3.38Å; P33-G352 WeakPolarHBondContact CD-O 3.33Å; G349-G352 PolarHBondContact O-N 3.13Å; G352-G354 VanDerWaalsContact C-N 3.33Å
353D96.1Very high97.4Very high56 Ų5643.2 Ų43.230%0.29923%0.227SC..SBendtrans-91.59.4-177.474.6-12.2000113.9C31 N346 C351 S355 R363C31-D353 PolarHBondContact O-N 2.68Å; N346-D353 PolarHBondContact ND2-OD1 2.81Å; C351-D353 VanDerWaalsContact C-N 3.32Å; C351-D353 PolarHBondContact O-N 3.06Å; D353-S355 VanDerWaalsContact CG-OG 3.31Å; D353-S355 PolarHBondContact O-N 3.06Å; D353-S355 WeakPolarHBondContact OD1-CA 3.38Å; D353-S355 VanDerWaalsContact OD1-CB 3.3Å; D353-S355 WeakPolarHBondContact OD1-CB 3.21Å; D353-S355 PolarHBondContact OD1-N 3.36Å; D353-S355 PolarHBondContact OD1-OG 3.41Å; D353-S355 PolarHBondContact OD2-OG 3.43Å; D353-R363 IonicContact OD2-NH1 3.4Å
354G96.7Very high97.4Very high47 Ų4748 Ų4849%0.48525%0.251SS..SBendtrans78.52.2-175.700000114.2C31 G352C31-G354 VanDerWaalsContact O-CA 3.31Å; C31-G354 WeakPolarHBondContact O-CA 3.33Å; C31-G354 PolarHBondContact O-N 3.3Å; G352-G354 VanDerWaalsContact C-N 3.33Å
355S96.9Very high97.2Very high38 Ų3848 Ų4827%0.26625%0.251SS..SBendtrans-114.8173.5177.387.40000112N346 G349 D353 A357N346-S355 PolarHBondContact ND2-O 3.29Å; N346-S355 VanDerWaalsContact ND2-O 3.16Å; N346-S355 PolarHBondContact ND2-OG 2.99Å; G349-S355 WeakPolarHBondContact CA-O 3.49Å; D353-S355 VanDerWaalsContact CG-OG 3.31Å; D353-S355 PolarHBondContact O-N 3.06Å; D353-S355 WeakPolarHBondContact OD1-CA 3.38Å; D353-S355 VanDerWaalsContact OD1-CB 3.3Å; D353-S355 WeakPolarHBondContact OD1-CB 3.21Å; D353-S355 PolarHBondContact OD1-N 3.36Å; D353-S355 PolarHBondContact OD1-OG 3.41Å; D353-S355 PolarHBondContact OD2-OG 3.43Å; S355-A357 PolarHBondContact OG-N 3.44Å
356Q97.6Very high96.4Very high119 Ų11948.5 Ų48.556%0.55626%0.263SS*.  trans-11413.3169.2-67178.5-35.300112.3N346 E347N346-Q356 CarbonylContact C-O 3.59Å; N346-Q356 CarbonylContact O-C 3.57Å; N346-Q356 WeakPolarHBondContact O-CA 3.19Å; E347-Q356 WeakPolarHBondContact O-CG 3.19Å; E347-Q356 PolarHBondContact O-NE2 2.85Å
357A97.9Very high95.6Very high62 Ų6256.2 Ų56.251%0.51230%0.304SS..SBendtrans-88.7135.8-178.600000110.3N346 S355N346-A357 WeakPolarHBondContact CB-O 3.29Å; N346-A357 PolarHBondContact ND2-O 2.82Å; S355-A357 PolarHBondContact OG-N 3.44Å
358D98Very high95.2Very high47 Ų4751.9 Ų51.925%0.25129%0.285SS..  trans-54.7139.4178.5-65.9-22.2000112Y288 W345 N346 F360Y288-D358 WeakPolarHBondContact CD1-OD2 3.02Å; W345-D358 WeakPolarHBondContact CA-OD1 3.04Å; N346-D358 PolarHBondContact N-OD1 2.81Å; D358-F360 HydrophobicContact CB-CD2 4.48Å; D358-F360 HydrophobicContact CB-CE2 3.82Å; D358-F360 HydrophobicContact CB-CZ 4.29Å
359V97.8Very high94.9Very high0 Ų057.6 Ų57.60%030%0.304CS..EExtended strand (participates in β ladder)trans-107.8106.7-175176.70000109.2W343 G344 C351 H361 R363W343-V359 HydrophobicContact CB-CB 4.47Å; W343-V359 HydrophobicContact CB-CG1 3.97Å; W343-V359 WeakPolarHBondContact CB-O 3.22Å; G344-V359 PolarHBondContact N-O 2.75Å; G344-V359 PolarHBondContact O-N 2.76Å; C351-V359 HydrophobicContact CB-CB 4.42Å; C351-V359 HydrophobicContact CB-CG2 3.78Å; V359-H361 WeakPolarHBondContact CG1-O 3.29Å; V359-H361 PolarHBondContact O-N 2.83Å; V359-R363 HydrophobicContact CG1-CB 4.1Å; V359-R363 HydrophobicContact CG1-CG 3.81Å
360F96.1Very high94.8Very high86 Ų8658.1 Ų58.138%0.37731%0.307SS..EExtended strand (participates in β ladder)trans-82.8-9.8-171.7-73.1-94.6000115.4G289 G292 R293 D358G289-F360 VanDerWaalsContact CA-CD1 3.47Å; G292-F360 CarbonylContact C-O 3.6Å; G292-F360 VanDerWaalsContact CA-O 3.3Å; G292-F360 WeakPolarHBondContact CA-O 3.35Å; R293-F360 PolarHBondContact N-O 2.84Å; R293-F360 VanDerWaalsContact N-O 3.15Å; D358-F360 HydrophobicContact CB-CD2 4.48Å; D358-F360 HydrophobicContact CB-CE2 3.82Å; D358-F360 HydrophobicContact CB-CZ 4.29Å
361H95.7Very high94.7Very high78 Ų7861.5 Ų61.536%0.36133%0.327SS..EExtended strand (participates in β ladder)trans-140146-178.3-55.293.8000109.2S294 V359 R363S294-H361 PolarHBondContact N-NE2 2.8Å; S294-H361 PolarHBondContact OG-NE2 3.1Å; V359-H361 WeakPolarHBondContact CG1-O 3.29Å; V359-H361 PolarHBondContact O-N 2.83Å; H361-R363 WeakPolarHBondContact O-CG 3.05Å; H361-R363 PolarHBondContact O-N 3.13Å
362P97.8Very high94.6Very high22 Ų2262.8 Ų62.814%0.14333%0.334CS..EExtended strand (participates in β ladder)trans-50.3117.1174.2-27.334.7000111.5G292 V316 L319 L341 W343G292-P362 VanDerWaalsContact O-CD 3.3Å; G292-P362 WeakPolarHBondContact O-CD 3.47Å; V316-P362 HydrophobicContact CG1-CG 4.07Å; L319-P362 HydrophobicContact CD1-CG 4.22Å; L319-P362 HydrophobicContact CD2-CB 3.95Å; L319-P362 HydrophobicContact CD2-CG 3.82Å; L319-P362 HydrophobicContact CG-CG 3.99Å; L341-P362 HydrophobicContact CB-CB 4.15Å; L341-P362 HydrophobicContact CD1-CB 3.98Å; W343-P362 HydrophobicContact CD2-CB 4.3Å; W343-P362 HydrophobicContact CD2-CG 3.86Å; W343-P362 HydrophobicContact CE3-CB 3.82Å; W343-P362 HydrophobicContact CE3-CG 3.8Å; W343-P362 HydrophobicContact CG-CG 4.29Å; W343-P362 HydrophobicContact CZ3-CB 4.36Å; W343-P362 HydrophobicContact CZ3-CG 4.3Å
363R96.3Very high94.7Very high128 Ų12862.8 Ų62.848%0.48333%0.333SS..EExtended strand (participates in β ladder)trans-117.2145.1178.9-76.1-174.3-176.8172.20.1110.8L341 S342 D353 V359 H361 V365L341-R363 CarbonylContact C-O 3.49Å; L341-R363 WeakPolarHBondContact CA-O 3.38Å; S342-R363 PolarHBondContact N-O 3.23Å; S342-R363 PolarHBondContact O-N 3.03Å; D353-R363 IonicContact OD2-NH1 3.4Å; V359-R363 HydrophobicContact CG1-CB 4.1Å; V359-R363 HydrophobicContact CG1-CG 3.81Å; H361-R363 WeakPolarHBondContact O-CG 3.05Å; H361-R363 PolarHBondContact O-N 3.13Å; R363-V365 PolarHBondContact O-N 2.82Å
364L96.8Very high94.8Very high99 Ų9960.2 Ų60.252%0.51832%0.32SS..EExtended strand (participates in β ladder)trans-64.5131.6175.8-175.270.3000110.7C339 L340 L341C339-L364 HydrophobicContact CB-CD1 3.71Å; L340-L364 WeakPolarHBondContact O-CA 3.32Å; L341-L364 HydrophobicContact CD2-CB 4.35Å; L341-L364 HydrophobicContact CD2-CD1 4.36Å
365V95.3Very high94.9Very high0 Ų058.2 Ų58.20%030%0.298CS..  trans-106.199.2175.2-1770000109.6W14 P33 L340 S342 C351 R363W14-V365 HydrophobicContact CZ2-CG1 4.33Å; P33-V365 HydrophobicContact CG-CG1 3.46Å; P33-V365 VanDerWaalsContact CG-CG1 3.46Å; L340-V365 HydrophobicContact CB-CB 4.37Å; L340-V365 HydrophobicContact CD2-CB 3.85Å; L340-V365 HydrophobicContact CD2-CG1 4.03Å; L340-V365 HydrophobicContact CD2-CG2 4.5Å; L340-V365 HydrophobicContact CG-CB 3.96Å; L340-V365 HydrophobicContact CG-CG2 4.34Å; L340-V365 PolarHBondContact O-N 3.13Å; S342-V365 WeakPolarHBondContact OG-CG2 3.22Å; C351-V365 WeakPolarHBondContact O-CG2 3.15Å; R363-V365 PolarHBondContact O-N 2.82Å
366S80.6Confident94.9Very high61 Ų6156.5 Ų56.543%0.42729%0.286SS..THydrogen-bonded Turntrans43.9179.3177.258.10000115.9L368S366-L368 PolarHBondContact O-N 2.98Å
367D81.7Confident94.9Very high162 Ų16251.2 Ų51.287%0.86626%0.263SS*.THydrogen-bonded Turntrans-81.743.4-179.2-66.4-44000112.2
368L89.3Confident94.9Very high24 Ų2448.7 Ų48.713%0.12624%0.243CC..  trans-76.7147.8175.6-66.8-178.2000111.2Y12 P33 L340 S366 P370Y12-L368 HydrophobicContact CD1-CD2 4.15Å; Y12-L368 HydrophobicContact CD2-CD2 4.06Å; Y12-L368 HydrophobicContact CE1-CD2 4.07Å; Y12-L368 HydrophobicContact CE2-CD2 3.98Å; Y12-L368 HydrophobicContact CG-CD2 4.15Å; P33-L368 HydrophobicContact CB-CD1 3.7Å; P33-L368 HydrophobicContact CG-CD1 3.82Å; L340-L368 HydrophobicContact CD2-CD1 3.99Å; S366-L368 PolarHBondContact O-N 2.98Å; L368-P370 VanDerWaalsContact C-CD 3.41Å; L368-P370 WeakPolarHBondContact O-CD 3.49Å
369R91.5Very high95Very high177 Ų17746.4 Ų46.467%0.66823%0.231SC*.  trans-112.473.7172.5-64.7-173.7-179-160.20.2109.5C384 G385R369-C384 VanDerWaalsContact O-CA 3.28Å; R369-C384 WeakPolarHBondContact O-CA 3.32Å; R369-G385 PolarHBondContact O-N 2.89Å
370P95.3Very high95Very high10 Ų1046.4 Ų46.47%0.06523%0.231CC..EExtended strand (participates in β ladder)trans-68.4138.7-175.233.3-40.5000110.7I335 L340 L368 I373 A382 V383I335-P370 HydrophobicContact CD1-CB 3.82Å; I335-P370 HydrophobicContact CD1-CG 3.96Å; I335-P370 HydrophobicContact CG1-CB 4.13Å; I335-P370 HydrophobicContact CG1-CG 3.86Å; I335-P370 HydrophobicContact CG2-CG 4.3Å; L340-P370 HydrophobicContact CB-CG 3.93Å; L368-P370 VanDerWaalsContact C-CD 3.41Å; L368-P370 WeakPolarHBondContact O-CD 3.49Å; P370-I373 HydrophobicContact CB-CG2 4.24Å; P370-A382 HydrophobicContact CB-CB 4.47Å; P370-V383 WeakPolarHBondContact CA-O 3.13Å
371V95.5Very high95.1Very high71 Ų7142.4 Ų42.443%0.4321%0.214SC..EExtended strand (participates in β ladder)trans-110.7-20167-64.30000111.8F9 Q324 V383F9-V371 HydrophobicContact CD1-CG2 3.9Å; F9-V371 HydrophobicContact CE1-CG1 4.49Å; F9-V371 HydrophobicContact CE1-CG2 3.8Å; Q324-V371 PolarHBondContact NE2-O 3.3Å; V371-V383 HydrophobicContact CG2-CB 4.33Å; V371-V383 HydrophobicContact CG2-CG1 4.18Å; V371-V383 VanDerWaalsContact CG2-O 3.28Å; V371-V383 WeakPolarHBondContact CG2-O 3.4Å; V371-V383 PolarHBondContact N-O 2.79Å
372L97.2Very high95.2Very high28 Ų2838.7 Ų38.715%0.14720%0.196CC..EExtended strand (participates in β ladder)trans-149.7139178.6-177.769.7000109.3V46 R47 V49 A382 V383V46-L372 HydrophobicContact CG1-CD2 3.82Å; R47-L372 WeakPolarHBondContact O-CD2 3.48Å; V49-L372 HydrophobicContact CG1-CD2 4.41Å; V49-L372 HydrophobicContact CG2-CD2 3.97Å; V49-L372 HydrophobicContact CG2-CG 3.99Å; L372-A382 CarbonylContact O-C 3.55Å; L372-A382 WeakPolarHBondContact O-CA 3.19Å; L372-V383 HydrophobicContact CB-CB 4.06Å; L372-V383 HydrophobicContact CB-CG2 4.26Å; L372-V383 HydrophobicContact CD2-CG2 4.1Å; L372-V383 PolarHBondContact N-O 2.79Å; L372-V383 PolarHBondContact O-N 2.99Å
373I98.6Very high95.1Very high4 Ų437.9 Ų37.92%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-125.1151.8175.952.7174.2000110.9Q324 V326 L333 I335 L340 P370 M381 A382Q324-I373 HydrophobicContact CB-CD1 3.82Å; Q324-I373 HydrophobicContact CB-CG1 3.84Å; Q324-I373 VanDerWaalsContact OE1-N 3.1Å; V326-I373 HydrophobicContact CG1-CG1 4.18Å; V326-I373 HydrophobicContact CG2-CB 4.14Å; V326-I373 HydrophobicContact CG2-CD1 3.8Å; V326-I373 HydrophobicContact CG2-CG1 3.86Å; L333-I373 HydrophobicContact CB-CB 4.46Å; L333-I373 HydrophobicContact CB-CD1 3.84Å; L333-I373 HydrophobicContact CD1-CB 4.25Å; L333-I373 HydrophobicContact CD1-CG2 4.44Å; I335-I373 HydrophobicContact CD1-CG1 4.38Å; I335-I373 HydrophobicContact CD1-CG2 4.08Å; I335-I373 HydrophobicContact CG1-CD1 4.02Å; I335-I373 HydrophobicContact CG1-CG1 4.28Å; I335-I373 HydrophobicContact CG1-CG2 3.97Å; L340-I373 HydrophobicContact CD1-CG2 3.62Å; P370-I373 HydrophobicContact CB-CG2 4.24Å; I373-M381 WeakPolarHBondContact CA-O 3.42Å; I373-A382 HydrophobicContact CG2-CB 4.26Å
374G98.5Very high95Very high1 Ų132 Ų321%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-152159.6175.500000110.6V49 M381V49-G374 WeakPolarHBondContact O-CA 3.33Å; G374-M381 PolarHBondContact N-O 2.63Å; G374-M381 PolarHBondContact O-N 2.93Å
375C98.3Very high94.3Very high5 Ų528.1 Ų28.13%0.03415%0.153CC..EExtended strand (participates in β ladder)trans-133147.6176.1-67.80000108.7G51 V326 H379G51-C375 PolarHBondContact N-O 3.33Å; V326-C375 VanDerWaalsContact CG2-SG 3.57Å; C375-H379 WeakPolarHBondContact CA-O 3.5Å
376G98.3Very high93.3Very high2 Ų230.3 Ų30.32%0.02117%0.167CC..  trans-99.1-165.4149.300000111.2G51 G328 G378 H379G51-G376 VanDerWaalsContact C-CA 3.43Å; G51-G376 VanDerWaalsContact O-CA 3.31Å; G51-G376 WeakPolarHBondContact O-CA 3.4Å; G328-G376 WeakPolarHBondContact CA-O 3.21Å; G376-G378 PolarHBondContact O-N 2.86Å; G376-H379 VanDerWaalsContact CA-CE1 3.45Å; G376-H379 WeakPolarHBondContact CA-CE1 3.38Å; G376-H379 PolarHBondContact N-O 3.45Å
377A97.6Very high92.3Very high8 Ų831.9 Ų31.97%0.06617%0.174CC..SBendtrans-59.9-53.4-179.300000111.1G52 W104 W268 S329G52-A377 PolarHBondContact O-N 2.9Å; W104-A377 HydrophobicContact CE3-CB 4.24Å; W104-A377 HydrophobicContact CZ3-CB 3.78Å; W268-A377 HydrophobicContact CZ2-CB 3.87Å; S329-A377 WeakPolarHBondContact CB-O 3.22Å; S329-A377 PolarHBondContact N-O 2.85Å; S329-A377 PolarHBondContact OG-O 3.33Å
378G97.9Very high90.9Very high9 Ų927.2 Ų27.29%0.09315%0.151CC..SBendtrans-116.717.4-175.800000115.1A16 M350 G376A16-G378 VanDerWaalsContact CB-O 3.27Å; A16-G378 WeakPolarHBondContact CB-O 3.16Å; A16-G378 PolarHBondContact N-O 2.81Å; M350-G378 WeakPolarHBondContact CE-O 3.5Å; G376-G378 PolarHBondContact O-N 2.86Å
379H98.8Very high88.6Confident0 Ų030.9 Ų30.90%018%0.179CC..EExtended strand (participates in β ladder)trans-145.7159.7-179.161-84.2000111W14 L22 H55 S56 H331 C375 G376W14-H379 CarbonylContact O-C 3.57Å; W14-H379 VanDerWaalsContact O-CA 3.29Å; W14-H379 WeakPolarHBondContact O-CA 3.38Å; W14-H379 VanDerWaalsContact O-CB 3.31Å; W14-H379 WeakPolarHBondContact O-CB 3.37Å; L22-H379 HydrophobicContact CD2-CB 3.71Å; H55-H379 PolarHBondContact O-CE1 2.99Å; S56-H379 PolarHBondContact OG-NE2 2.69Å; H331-H379 PolarHBondContact CE1-O 3.34Å; H331-H379 PolarHBondContact NE2-O 3.33Å; C375-H379 WeakPolarHBondContact CA-O 3.5Å; G376-H379 VanDerWaalsContact CA-CE1 3.45Å; G376-H379 WeakPolarHBondContact CA-CE1 3.38Å; G376-H379 PolarHBondContact N-O 3.45Å
380S98.8Very high86.1Confident0 Ų029.6 Ų29.60%019%0.185CC..EExtended strand (participates in β ladder)trans-126.2148.5-174.9-89.90000110.2A13 W14 H331 L333 M350A13-S380 VanDerWaalsContact CA-O 3.28Å; A13-S380 WeakPolarHBondContact CA-O 3.46Å; W14-S380 PolarHBondContact N-O 2.85Å; W14-S380 VanDerWaalsContact NE1-CB 3.34Å; W14-S380 PolarHBondContact O-N 3.19Å; H331-S380 PolarHBondContact CD2-OG 3.16Å; H331-S380 VanDerWaalsContact CD2-OG 3.28Å; H331-S380 PolarHBondContact NE2-OG 3.1Å; L333-S380 WeakPolarHBondContact CD1-OG 3.37Å; M350-S380 PolarHBondContact O-OG 2.94Å; M350-S380 VanDerWaalsContact O-OG 3.1Å
381M98.5Very high83.2Confident2 Ų235 Ų351%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-138.6141.6-178.3-67.6172.7-76.700110.6L11 Y12 A13 V49 I373 G374L11-M381 HydrophobicContact CD1-CB 4.3Å; Y12-M381 CarbonylContact O-C 3.5Å; Y12-M381 VanDerWaalsContact O-CA 3.29Å; Y12-M381 WeakPolarHBondContact O-CA 3.4Å; A13-M381 HydrophobicContact CB-CG 4.02Å; V49-M381 HydrophobicContact CB-CB 4.45Å; V49-M381 HydrophobicContact CB-SD 4.44Å; V49-M381 HydrophobicContact CG2-CB 4.38Å; I373-M381 WeakPolarHBondContact CA-O 3.42Å; G374-M381 PolarHBondContact N-O 2.63Å; G374-M381 PolarHBondContact O-N 2.93Å
382A97.6Very high80.5Confident0 Ų040.2 Ų40.20%024%0.237CC..EExtended strand (participates in β ladder)trans-139.8127.6172.500000110.7Y12 W14 L340 P370 L372 I373Y12-A382 PolarHBondContact N-O 3.22Å; Y12-A382 PolarHBondContact O-N 3.02Å; W14-A382 HydrophobicContact CH2-CB 3.92Å; W14-A382 HydrophobicContact CZ3-CB 3.92Å; L340-A382 HydrophobicContact CD2-CB 4.26Å; P370-A382 HydrophobicContact CB-CB 4.47Å; L372-A382 CarbonylContact O-C 3.55Å; L372-A382 WeakPolarHBondContact O-CA 3.19Å; I373-A382 HydrophobicContact CG2-CB 4.26Å
383V95.8Very high77.4Confident4 Ų446.2 Ų46.22%0.02427%0.269CS..EExtended strand (participates in β ladder)trans-89.1122.3166.4-1740000107.7F9 C10 L11 V46 V49 P370 V371 L372F9-V383 HydrophobicContact CB-CG1 3.84Å; F9-V383 HydrophobicContact CD1-CG1 4.11Å; F9-V383 HydrophobicContact CG-CG1 4.31Å; C10-V383 CarbonylContact O-C 3.52Å; C10-V383 WeakPolarHBondContact O-CA 3.49Å; L11-V383 HydrophobicContact CD1-CG2 4.09Å; V46-V383 HydrophobicContact CB-CG1 4.38Å; V46-V383 HydrophobicContact CB-CG2 4.03Å; V46-V383 HydrophobicContact CG1-CG2 3.84Å; V46-V383 HydrophobicContact CG2-CG2 4.41Å; V49-V383 HydrophobicContact CG1-CG2 3.95Å; P370-V383 WeakPolarHBondContact CA-O 3.13Å; V371-V383 HydrophobicContact CG2-CB 4.33Å; V371-V383 HydrophobicContact CG2-CG1 4.18Å; V371-V383 VanDerWaalsContact CG2-O 3.28Å; V371-V383 WeakPolarHBondContact CG2-O 3.4Å; V371-V383 PolarHBondContact N-O 2.79Å; L372-V383 HydrophobicContact CB-CB 4.06Å; L372-V383 HydrophobicContact CB-CG2 4.26Å; L372-V383 HydrophobicContact CD2-CG2 4.1Å; L372-V383 PolarHBondContact N-O 2.79Å; L372-V383 PolarHBondContact O-N 2.99Å
384C92.8Very high74.1Confident4 Ų450.3 Ų50.33%0.02730%0.298CS..EExtended strand (participates in β ladder)trans-114.5140.5-177.2-62.70000111.1F9 C10 Y12 R369F9-C384 WeakPolarHBondContact CA-O 3.37Å; C10-C384 PolarHBondContact N-O 3.45Å; C10-C384 PolarHBondContact O-N 2.97Å; Y12-C384 HydrophobicContact CD2-CB 4.09Å; Y12-C384 HydrophobicContact CE2-CB 3.98Å; R369-C384 VanDerWaalsContact O-CA 3.28Å; R369-C384 WeakPolarHBondContact O-CA 3.32Å
385G83.5Confident71Confident18 Ų1856.8 Ų56.819%0.18634%0.337CS..EExtended strand (participates in β ladder)trans-80.7125.117300000111.1R369R369-G385 PolarHBondContact O-N 2.89Å
386V73.7Confident67.8Low46 Ų4664.1 Ų64.128%0.27937%0.371SS..EExtended strand (participates in β ladder)trans-104.2121.8173.2-174.10000108.6T8 C10 T388T8-V386 PolarHBondContact N-O 3.44Å; T8-V386 PolarHBondContact O-N 2.72Å; T8-V386 PolarHBondContact OG1-O 2.94Å; C10-V386 HydrophobicContact CB-CG2 4.23Å; C10-V386 VanDerWaalsContact SG-CG2 3.56Å; V386-T388 HydrophobicContact CG1-CG2 4.13Å; V386-T388 PolarHBondContact O-N 3.49Å
387T59.2Low64.5Low95 Ų9569.2 Ų69.258%0.58340%0.402SS*.EExtended strand (participates in β ladder)trans-90.599.7169.16.70000107.7S389T387-S389 PolarHBondContact O-N 3.49Å
388T53.2Low61.3Low64 Ų6480.6 Ų80.639%0.39344%0.443SS..  trans-81.5103.2168.247.60000108.2V386 L390V386-T388 HydrophobicContact CG1-CG2 4.13Å; V386-T388 PolarHBondContact O-N 3.49Å; T388-L390 PolarHBondContact O-N 3.38Å
389S40.1Very low58.1Low100 Ų10088.4 Ų88.470%0.69948%0.477SS*.  trans-72.7103.1162.455.60000107.3T387 T391T387-S389 PolarHBondContact O-N 3.49Å; S389-T391 PolarHBondContact O-N 3.4Å
390L39.8Very low54.9Low151 Ų15197.5 Ų97.579%0.79152%0.52SS*.  trans-68.784.4168.4-73.9168.8000108.5T388 Q392T388-L390 PolarHBondContact O-N 3.38Å; L390-Q392 PolarHBondContact O-N 3.46Å; L390-Q392 VanDerWaalsContact O-N 3.17Å
391T33.9Very low51.8Low123 Ų123105.2 Ų105.276%0.75556%0.56SS**  trans-76.294.715945.10000107.4S389 N393S389-T391 PolarHBondContact O-N 3.4Å; T391-N393 VanDerWaalsContact C-N 3.27Å; T391-N393 PolarHBondContact O-N 3.49Å
392Q38.3Very low48.6Very low180 Ų180113.7 Ų113.784%0.84160%0.6SS**  trans-61.695.8155.6-106178.5-15.100107.4L390L390-Q392 PolarHBondContact O-N 3.46Å; L390-Q392 VanDerWaalsContact O-N 3.17Å
393N32.8Very low45.5Very low154 Ų154122.6 Ų122.682%0.82464%0.641SS**  trans157.693.7142.8-81.2-17.1000111.2T391T391-N393 VanDerWaalsContact C-N 3.27Å; T391-N393 PolarHBondContact O-N 3.49Å
394S29.6Very low42.5Very low90 Ų90132.1 Ų132.163%0.62968%0.682SS**  -178.4110.1127.554.40000108.2H396S394-H396 PolarHBondContact O-N 3.42Å
395V33.2Very low39.7Very low137 Ų137141.5 Ų141.583%0.8373%0.725SS**  trans-64.4102.91621790000106.2T397V395-T397 HydrophobicContact CG1-CG2 4.47Å
396H30.1Very low37.1Very low159 Ų159146.5 Ų146.574%0.73676%0.757SS**  trans-107.7109.7160.6-81.2-61.7000107.6S394S394-H396 PolarHBondContact O-N 3.42Å
397T29.2Very low35.1Very low110 Ų110149.1 Ų149.168%0.67578%0.778SS**  trans-59.7138.1174.435.80000111.1V395 E399V395-T397 HydrophobicContact CG1-CG2 4.47Å; T397-E399 PolarHBondContact O-N 3.45Å
398W31.2Very low33.9Very low247 Ų247149.7 Ų149.794%0.93678%0.783SS**SBendtrans-74.543-175.1-85100.1000115.2
399E31.2Very low32.6Very low173 Ų173156.8 Ų156.881%0.80881%0.809SS**  trans-118.34.9-173.8-84.3-177159.300117.2T397T397-E399 PolarHBondContact O-N 3.45Å
400E30.6Very low32.1Very low190 Ų190158.1 Ų158.189%0.88881%0.813SS**SBendtrans-115.835.6-175.3-74.2-168.6152.900116.4
401L33.2Very low31.5Very low162 Ų162159 Ų15985%0.84881%0.813SS**SBendtrans-119.43.3168.8-79.5167.2000115.5
402E31.6Very low31.2Very low180 Ų180162.3 Ų162.384%0.84182%0.818SS**SBendtrans-98.65.4179-81.2-164.2154.900116.2
403H31.8Very low30.8Very low187 Ų187162.5 Ų162.587%0.86682%0.816SS**SBendtrans-123.465.9176.2-87.3-5.7000113
404K33.7Very low30.5Very low204 Ų204163.4 Ų163.489%0.88782%0.815SS**  trans-159.256.5153.6-111.9172.1-167.2-179.80112.6
405Q33.5Very low30.5Very low201 Ų201168.6 Ų168.694%0.93983%0.826SS**  trans-138.499.3152.3-79.7-165.9-1.800109.7
406S28.8Very low30.4Very low123 Ų123171.4 Ų171.486%0.8683%0.827SS**  trans-135.3126.3155.549.60000109.3
407S32.3Very low30.7Very low101 Ų101170.3 Ų170.371%0.70683%0.832SS**  trans-58.9173.4-173.3-1470000113.9F409S407-F409 PolarHBondContact OG-N 3.38Å
408P34.1Very low30.9Very low107 Ų107171.4 Ų171.470%0.69584%0.838SS**  -147.412868.534.6-13.4000115.2
409F25.8Very low31Very low213 Ų213165.2 Ų165.293%0.93483%0.833SS**  trans-144.8104.9137.5-97.5-77.5000109.2S407S407-F409 PolarHBondContact OG-N 3.38Å
410T29.5Very low31.3Very low128 Ų128161.6 Ų161.679%0.78583%0.832SS**  trans-121.2107.9169.7-34.90000105.6
411E28.4Very low31.7Very low169 Ų169162.9 Ų162.979%0.7985%0.854SS**  trans-179.2109.9151.4-109.4175.2-175.500109.9
412F26.8Very low31.6Very low194 Ų194163 Ų16385%0.85185%0.854SS**  16198.4124-96.9-81.9000110
413K29.2Very low31.6Very low184 Ų184162.1 Ų162.180%0.886%0.855SS**  trans-86.1143.2163.1-103.6-179.5177.8176.90109.6
414Q27.4Very low31.6Very low172 Ų172160.7 Ų160.780%0.80485%0.854SS**  trans62.7113.7147-72.7175.4-32.500119.2
415K29.6Very low31.5Very low200 Ų200158.1 Ų158.187%0.8785%0.852SS**  -167.5141.3124.7-114.1168.9-173.71760113.2
416K31.4Very low31.4Very low195 Ų195155.4 Ų155.485%0.84885%0.847SS**  trans94.687.5156.4-65177.6178.8-174.50119
417T35.5Very low31.5Very low137 Ų137157.6 Ų157.684%0.8485%0.846SS**  -84.4120.4124.926.60000109
418T34Very low31.5Very low132 Ų132161.6 Ų161.681%0.8186%0.856SS**  trans170.5132.3135.224.80000113.5
419S33.1Very low31.3Very low118 Ų118165.8 Ų165.883%0.82587%0.868SS**  trans77.8137.5147.771.10000124.5
420A37Very low31.8Very low96 Ų96161.9 Ų161.979%0.79386%0.863SS**  trans89.2119.4160.400000115.4
421T39.3Very low32Very low218 Ų218165 Ų165100%1.33787%0.87SS**  cis-141.5024.628.60000112.5

Retrieved 421 of 421 residues in 1113.5 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).