A0A093HCH4_STRCA Loading...

Kelch domain-containing protein 3

AlphaFold DB , UniProt , Accession A0A093HCH4, Species STRCA (Struthio camelus australis), Gene n/a, Length 382 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
1M83.7Confident95.4Very high149 Ų14938.9 Ų38.973%0.73419%0.193SC*.  0128.60-175.5179-77.700108.2R3 K284 P336M1-R3 PolarHBondContact O-N 3.12Å; M1-K284 HydrophobicContact CG-CD 4.38Å; M1-K284 HydrophobicContact SD-CD 3.36Å; M1-K284 WeakPolarHBondContact SD-CD 3.48Å; M1-K284 WeakPolarHBondContact SD-CE 3.34Å; M1-K284 HydrophobicContact SD-CG 3.96Å; M1-K284 PolarHBondContact SD-NZ 2.92Å; M1-P336 VanDerWaalsContact O-CG 3.25Å; M1-P336 WeakPolarHBondContact O-CG 3.5Å
2L95.9Very high95.3Very high29 Ų2935.9 Ų35.915%0.15218%0.178CC..  trans-52.3128.3-178.417867.2000112.1L268 I281 P283 K284 L332 D333 F334L2-L268 HydrophobicContact CD2-CD2 4.1Å; L2-I281 HydrophobicContact CD2-CG2 3.55Å; L2-P283 HydrophobicContact CD2-CB 4.49Å; L2-P283 HydrophobicContact CD2-CG 4.18Å; L2-P283 HydrophobicContact CG-CB 4.25Å; L2-P283 HydrophobicContact CG-CG 4.43Å; L2-K284 PolarHBondContact O-N 3.36Å; L2-K284 VanDerWaalsContact O-N 3.12Å; L2-L332 HydrophobicContact CD1-CD1 3.55Å; L2-L332 HydrophobicContact CD1-CD2 4.07Å; L2-L332 HydrophobicContact CD1-CG 3.62Å; L2-L332 HydrophobicContact CG-CD1 3.89Å; L2-L332 HydrophobicContact CG-CG 4.45Å; L2-D333 WeakPolarHBondContact CA-O 3.46Å; L2-F334 HydrophobicContact CD1-CB 4.26Å; L2-F334 HydrophobicContact CD1-CD1 3.66Å; L2-F334 HydrophobicContact CD1-CD2 3.7Å; L2-F334 HydrophobicContact CD1-CE1 3.76Å; L2-F334 HydrophobicContact CD1-CE2 3.78Å; L2-F334 HydrophobicContact CD1-CG 3.62Å; L2-F334 HydrophobicContact CD1-CZ 3.83Å; L2-F334 HydrophobicContact CD2-CE1 4.25Å
3R97.3Very high95.1Very high44 Ų4436.8 Ų36.817%0.16618%0.178CC..EExtended strand (participates in β ladder)trans-155.2151.5-179.672.6-177.5-60.9-177.1-0.2114.1M1 A5 K284 D333 P336 L341 L344M1-R3 PolarHBondContact O-N 3.12Å; R3-A5 HydrophobicContact CG-CB 4.44Å; R3-A5 PolarHBondContact O-N 3.3Å; R3-K284 CarbonylContact C-O 3.56Å; R3-K284 WeakPolarHBondContact CA-O 3.42Å; R3-K284 HydrophobicContact CB-CB 3.82Å; R3-K284 VanDerWaalsContact CB-O 3.28Å; R3-K284 WeakPolarHBondContact CB-O 3.34Å; R3-D333 PolarHBondContact N-O 2.86Å; R3-D333 VanDerWaalsContact N-O 3.09Å; R3-D333 PolarHBondContact O-N 2.83Å; R3-P336 HydrophobicContact CG-CG 4.27Å; R3-L341 VanDerWaalsContact NH1-CD2 3.31Å; R3-L344 VanDerWaalsContact NH1-CD1 3.33Å
4W97.9Very high94.7Very high22 Ų2234.9 Ų34.98%0.08317%0.168CC..EExtended strand (participates in β ladder)trans-69.2116.8160.4-61.5106.4000108.5F254 K284 K286 P288 L305 Y330 L332W4-F254 HydrophobicContact CH2-CE2 4.34Å; W4-F254 HydrophobicContact CZ2-CD2 4.18Å; W4-F254 AromaticContact CZ2-CE2 3.79Å; W4-F254 HydrophobicContact CZ2-CE2 3.79Å; W4-F254 HydrophobicContact CZ2-CZ 4.35Å; W4-K284 PolarHBondContact N-O 2.86Å; W4-K286 WeakPolarHBondContact CB-O 3.26Å; W4-P288 HydrophobicContact CH2-CG 3.84Å; W4-P288 VanDerWaalsContact CZ2-CD 3.45Å; W4-P288 HydrophobicContact CZ2-CG 4.08Å; W4-P288 HydrophobicContact CZ3-CG 4.13Å; W4-L305 HydrophobicContact CH2-CD1 4.3Å; W4-Y330 HydrophobicContact CE3-CD1 4.36Å; W4-Y330 HydrophobicContact CE3-CG 4.39Å; W4-Y330 HydrophobicContact CZ3-CG 4.43Å; W4-L332 HydrophobicContact CD2-CB 4.23Å; W4-L332 HydrophobicContact CD2-CD1 3.96Å; W4-L332 HydrophobicContact CE3-CB 3.69Å; W4-L332 HydrophobicContact CE3-CD1 4.29Å; W4-L332 HydrophobicContact CG-CD1 4.31Å; W4-L332 HydrophobicContact CH2-CB 3.96Å; W4-L332 HydrophobicContact CH2-CD2 4.41Å; W4-L332 HydrophobicContact CZ2-CB 4.45Å; W4-L332 HydrophobicContact CZ2-CD1 4.36Å; W4-L332 HydrophobicContact CZ2-CD2 4.41Å; W4-L332 HydrophobicContact CZ3-CB 3.56Å
5A97.4Very high94.6Very high13 Ų1332.5 Ų32.511%0.10716%0.157CC..EExtended strand (participates in β ladder)trans-109-31-171.300000112.7R3 I331 D333 L344R3-A5 HydrophobicContact CG-CB 4.44Å; R3-A5 PolarHBondContact O-N 3.3Å; A5-I331 PolarHBondContact N-O 3.45Å; A5-D333 HydrophobicContact CB-CB 3.94Å; A5-L344 HydrophobicContact CB-CD1 4.15Å; A5-L344 WeakPolarHBondContact O-CD2 3.43Å
6V97.6Very high94.7Very high15 Ų1531.5 Ų31.59%0.09115%0.152CC..EExtended strand (participates in β ladder)trans-133.2139.3-179.6177.70000108.6L8 L54 Y330 I331 M367V6-L8 HydrophobicContact CG1-CD1 3.83Å; V6-L8 HydrophobicContact CG1-CD2 4.49Å; V6-L8 HydrophobicContact CG1-CG 3.67Å; V6-L54 HydrophobicContact CG1-CD1 4.29Å; V6-L54 HydrophobicContact CG2-CD1 4.24Å; V6-Y330 CarbonylContact O-C 3.51Å; V6-Y330 VanDerWaalsContact O-CA 3.3Å; V6-Y330 WeakPolarHBondContact O-CA 3.5Å; V6-I331 HydrophobicContact CB-CB 3.87Å; V6-I331 HydrophobicContact CB-CD1 3.95Å; V6-I331 HydrophobicContact CB-CG1 3.87Å; V6-I331 HydrophobicContact CG1-CD1 4.25Å; V6-I331 HydrophobicContact CG1-CG1 4.38Å; V6-I331 HydrophobicContact CG2-CB 4.35Å; V6-I331 HydrophobicContact CG2-CD1 4.15Å; V6-I331 HydrophobicContact CG2-CG1 4.48Å; V6-I331 PolarHBondContact O-N 2.78Å; V6-M367 HydrophobicContact CG2-CB 4.47Å; V6-M367 HydrophobicContact CG2-CE 3.89Å; V6-M367 HydrophobicContact CG2-CG 4.01Å
7H97.6Very high94.8Very high77 Ų7730.2 Ų30.236%0.35615%0.146SC..EExtended strand (participates in β ladder)trans-133.2122.4167.2175.8-127.9000107.7E9 L329 Y330H7-E9 IonicContact CE1-OE1 2.77Å; H7-E9 PolarHBondContact CE1-OE1 3.33Å; H7-E9 VanDerWaalsContact CE1-OE1 3.22Å; H7-E9 IonicContact NE2-OE1 3.81Å; H7-E9 PolarHBondContact NE2-OE1 3.32Å; H7-L329 CarbonylContact C-O 3.48Å; H7-L329 WeakPolarHBondContact CA-O 3.35Å; H7-Y330 HydrophobicContact CB-CD1 4.13Å; H7-Y330 HydrophobicContact CB-CE1 4.02Å; H7-Y330 AromaticContact CD2-CD1 3.83Å; H7-Y330 AromaticContact CD2-CD2 3.96Å; H7-Y330 AromaticContact CD2-CE1 3.35Å; H7-Y330 WeakPolarHBondContact CD2-CE1 3.35Å; H7-Y330 AromaticContact CD2-CE2 3.49Å; H7-Y330 VanDerWaalsContact CD2-CE2 3.49Å; H7-Y330 WeakPolarHBondContact CD2-CE2 3.28Å; H7-Y330 AromaticContact CD2-CZ 3.13Å; H7-Y330 PolarHBondContact CD2-OH 3.48Å; H7-Y330 AromaticContact CG-CE1 3.7Å; H7-Y330 AromaticContact CG-CZ 3.89Å; H7-Y330 AromaticContact NE2-CE2 3.73Å; H7-Y330 AromaticContact NE2-CZ 3.37Å; H7-Y330 PolarHBondContact NE2-OH 2.81Å; H7-Y330 VanDerWaalsContact NE2-OH 3.16Å
8L97.1Very high95Very high4 Ų428.9 Ų28.92%0.02114%0.141CC..EExtended strand (participates in β ladder)trans-133.7145.1-179.5-68.3173.3000109.7V6 L54 D328 L329 M367V6-L8 HydrophobicContact CG1-CD1 3.83Å; V6-L8 HydrophobicContact CG1-CD2 4.49Å; V6-L8 HydrophobicContact CG1-CG 3.67Å; L8-L54 HydrophobicContact CD1-CB 3.8Å; L8-D328 CarbonylContact O-C 3.59Å; L8-D328 VanDerWaalsContact O-CA 3.27Å; L8-D328 WeakPolarHBondContact O-CA 3.18Å; L8-L329 PolarHBondContact N-O 3.39Å; L8-L329 PolarHBondContact O-N 2.86Å; L8-M367 WeakPolarHBondContact CD2-O 3.42Å
9E96Very high95.2Very high65 Ų6528.3 Ų28.330%0.30414%0.141SC..  trans-105173.1176.8-64.9-70.7175.700112H7 G11 D328 N370 S371H7-E9 IonicContact CE1-OE1 2.77Å; H7-E9 PolarHBondContact CE1-OE1 3.33Å; H7-E9 VanDerWaalsContact CE1-OE1 3.22Å; H7-E9 IonicContact NE2-OE1 3.81Å; H7-E9 PolarHBondContact NE2-OE1 3.32Å; E9-G11 VanDerWaalsContact C-N 3.27Å; E9-G11 PolarHBondContact O-N 3.16Å; E9-D328 WeakPolarHBondContact OE2-CB 3.36Å; E9-N370 HydrophobicContact CB-CB 4.25Å; E9-N370 PolarHBondContact N-OD1 3.21Å; E9-N370 WeakPolarHBondContact O-CB 3.19Å; E9-S371 PolarHBondContact O-N 3.02Å
10G93.2Very high95.4Very high8 Ų827.5 Ų27.58%0.08214%0.138CC..  trans71.918.9168.900000114.5S327 S371 T372 I373G10-S327 PolarHBondContact N-O 3.48Å; G10-S371 WeakPolarHBondContact CA-O 3.25Å; G10-S371 CarbonylContact O-C 3.53Å; G10-S371 VanDerWaalsContact O-C 3.23Å; G10-S371 VanDerWaalsContact O-CB 3.25Å; G10-S371 WeakPolarHBondContact O-CB 3.21Å; G10-T372 PolarHBondContact O-N 3.27Å; G10-I373 WeakPolarHBondContact O-CB 3.41Å; G10-I373 PolarHBondContact O-N 2.94Å
11G95.5Very high95.5Very high2 Ų227.5 Ų27.52%0.02114%0.142CC..SBendtrans-68.2-169.7161.400000111.6E9 R13 S327 S374E9-G11 VanDerWaalsContact C-N 3.27Å; E9-G11 PolarHBondContact O-N 3.16Å; G11-R13 PolarHBondContact O-N 3.26Å; G11-S327 WeakPolarHBondContact CA-O 3.48Å; G11-S327 PolarHBondContact N-O 3.07Å; G11-S327 VanDerWaalsContact O-CB 3.23Å; G11-S327 WeakPolarHBondContact O-CB 3.36Å; G11-S374 VanDerWaalsContact O-CB 3.28Å; G11-S374 WeakPolarHBondContact O-CB 3.4Å; G11-S374 PolarHBondContact O-OG 3.42Å
12P94.1Very high96.2Very high3 Ų321.7 Ų21.72%0.01912%0.115CC..  trans-72.1122178.431.5-34.8000110.6R14 H47 W56 I373P12-R14 PolarHBondContact O-N 3.38Å; P12-H47 HydrophobicContact CB-CB 4.41Å; P12-H47 HydrophobicContact CG-CB 4.08Å; P12-W56 HydrophobicContact CG-CD2 4.24Å; P12-W56 HydrophobicContact CG-CE3 4.15Å; P12-W56 HydrophobicContact CG-CH2 4.21Å; P12-W56 HydrophobicContact CG-CZ2 4.27Å; P12-W56 HydrophobicContact CG-CZ3 4.15Å; P12-I373 HydrophobicContact CB-CG2 4.05Å
13R92.8Very high96.3Very high48 Ų4823.7 Ų23.718%0.18114%0.143CC..  trans-72.1111.8171.8-163.8-178.6-65.8-178.85.7109.6G11 C33 D325 H326 S374 R375 P376G11-R13 PolarHBondContact O-N 3.26Å; R13-C33 WeakPolarHBondContact CD-SG 3.42Å; R13-D325 HydrophobicContact CG-CB 3.8Å; R13-H326 WeakPolarHBondContact CA-O 3.36Å; R13-S374 WeakPolarHBondContact CB-OG 3.44Å; R13-S374 PolarHBondContact N-OG 3.14Å; R13-R375 PolarHBondContact NH2-O 2.75Å; R13-P376 PolarHBondContact NH2-O 3.14Å
14R90.4Very high96.3Very high9 Ų925.7 Ų25.73%0.03415%0.154CC..  trans-162.4149.7-176.555-178.363.9-144.5-10.4114.8P12 H17 S28 G30 Y32 D45 H47 G308P12-R14 PolarHBondContact O-N 3.38Å; R14-H17 HydrophobicContact CB-CB 4.37Å; R14-H17 VanDerWaalsContact CD-CG 3.46Å; R14-H17 HydrophobicContact CG-CB 4.11Å; R14-H17 WeakPolarHBondContact CG-ND1 3.3Å; R14-H17 PolarHBondContact O-ND1 3.24Å; R14-S28 VanDerWaalsContact CD-OG 3.32Å; R14-S28 WeakPolarHBondContact CD-OG 3.3Å; R14-G30 PolarHBondContact NH1-O 3.02Å; R14-Y32 CarbonylContact C-O 3.58Å; R14-Y32 WeakPolarHBondContact CA-O 3.37Å; R14-D45 IonicContact CZ-OD1 3.85Å; R14-D45 IonicContact CZ-OD2 3.8Å; R14-D45 IonicContact NH1-OD1 3.8Å; R14-D45 PolarHBondContact NH1-OD1 3.35Å; R14-D45 IonicContact NH1-OD2 3.43Å; R14-D45 IonicContact NH2-OD1 2.91Å; R14-D45 PolarHBondContact NH2-OD1 3.12Å; R14-D45 IonicContact NH2-OD2 3.96Å; R14-D45 PolarHBondContact NH2-OD2 3.19Å; R14-H47 PolarHBondContact NH2-CE1 3.29Å; R14-H47 PolarHBondContact NH2-ND1 2.99Å; R14-G308 PolarHBondContact O-N 2.78Å
15V93.1Very high96.3Very high0 Ų028 Ų280%017%0.165CC..BIsolated β-bridgetrans-129140.7-175.1-173.90000110H17 G31 Y32 R293 T309 D325V15-H17 PolarHBondContact O-N 3.23Å; V15-H17 VanDerWaalsContact O-N 3.09Å; V15-G31 CarbonylContact O-C 3.58Å; V15-G31 WeakPolarHBondContact O-CA 3.47Å; V15-Y32 HydrophobicContact CB-CD1 4.12Å; V15-Y32 HydrophobicContact CB-CE1 3.74Å; V15-Y32 HydrophobicContact CB-CE2 4.19Å; V15-Y32 HydrophobicContact CB-CG 4.5Å; V15-Y32 HydrophobicContact CG1-CD1 4.46Å; V15-Y32 HydrophobicContact CG1-CE1 3.63Å; V15-Y32 HydrophobicContact CG1-CE2 4.44Å; V15-Y32 WeakPolarHBondContact CG1-OH 3.37Å; V15-Y32 PolarHBondContact N-O 2.99Å; V15-Y32 PolarHBondContact O-N 2.71Å; V15-R293 HydrophobicContact CG1-CB 3.55Å; V15-R293 VanDerWaalsContact CG1-CD 3.45Å; V15-R293 HydrophobicContact CG1-CG 4.14Å; V15-T309 HydrophobicContact CB-CG2 4.07Å; V15-T309 HydrophobicContact CG1-CG2 3.61Å; V15-T309 HydrophobicContact CG2-CG2 3.23Å; V15-D325 HydrophobicContact CG2-CB 4.07Å; V15-D325 VanDerWaalsContact CG2-CG 3.42Å; V15-D325 WeakPolarHBondContact CG2-OD2 3.4Å
16N95.4Very high96.3Very high16 Ų1627.4 Ų27.49%0.08616%0.159CC..SBendtrans54.629.6179.3-84.1-15.5000113.4Y32 Y78 G79 R293N16-Y32 HydrophobicContact CB-CD1 4.48Å; N16-Y32 HydrophobicContact CB-CE1 4.23Å; N16-Y78 HydrophobicContact CB-CD2 4.44Å; N16-Y78 CarbonylContact O-C 3.57Å; N16-Y78 WeakPolarHBondContact O-CA 3.41Å; N16-G79 PolarHBondContact O-N 3.39Å; N16-R293 PolarHBondContact N-O 2.79Å; N16-R293 VanDerWaalsContact N-O 3.14Å; N16-R293 WeakPolarHBondContact OD1-CB 3.35Å; N16-R293 WeakPolarHBondContact OD1-CD 3.41Å; N16-R293 WeakPolarHBondContact OD1-CG 3.22Å
17H97.4Very high96.4Very high9 Ų927 Ų274%0.04216%0.156CC..  trans-77.1170.2170.760.2-77.5000110.1R14 V15 S28 F29 G30 C295 F306R14-H17 HydrophobicContact CB-CB 4.37Å; R14-H17 VanDerWaalsContact CD-CG 3.46Å; R14-H17 HydrophobicContact CG-CB 4.11Å; R14-H17 WeakPolarHBondContact CG-ND1 3.3Å; R14-H17 PolarHBondContact O-ND1 3.24Å; V15-H17 PolarHBondContact O-N 3.23Å; V15-H17 VanDerWaalsContact O-N 3.09Å; H17-S28 PolarHBondContact CD2-OG 2.7Å; H17-F29 WeakPolarHBondContact CB-O 3.12Å; H17-G30 VanDerWaalsContact CB-O 3.25Å; H17-G30 WeakPolarHBondContact CB-O 3.49Å; H17-C295 PolarHBondContact CD2-SG 2.91Å; H17-C295 VanDerWaalsContact NE2-CB 3.33Å; H17-C295 WeakPolarHBondContact NE2-CB 3.47Å; H17-C295 PolarHBondContact NE2-SG 2.7Å; H17-C295 PolarHBondContact O-SG 2.77Å; H17-F306 AromaticContact CD2-CE2 3.71Å; H17-F306 AromaticContact NE2-CD2 3.63Å; H17-F306 AromaticContact NE2-CE2 3.14Å; H17-F306 WeakPolarHBondContact NE2-CE2 3.36Å; H17-F306 AromaticContact NE2-CZ 3.67Å
18A98.3Very high96.4Very high7 Ų723.3 Ų23.36%0.05814%0.139CC..EExtended strand (participates in β ladder)trans-115.8147.9169.200000110.3S28 F29 H80 A82A18-S28 WeakPolarHBondContact O-CA 3.08Å; A18-F29 PolarHBondContact N-O 3Å; A18-F29 PolarHBondContact O-N 2.94Å; A18-H80 VanDerWaalsContact CB-CD2 3.43Å; A18-H80 WeakPolarHBondContact CB-CD2 3.41Å; A18-H80 WeakPolarHBondContact CB-NE2 3.03Å; A18-A82 HydrophobicContact CB-CB 3.68Å
19A98.4Very high96.5Very high18 Ų1823.1 Ų23.115%0.14914%0.138CC..EExtended strand (participates in β ladder)trans-145.8150.2177.700000112.4V26 Y27 C295 C297 F306A19-V26 HydrophobicContact CB-CG1 4.13Å; A19-Y27 CarbonylContact C-O 3.52Å; A19-Y27 WeakPolarHBondContact CA-O 3.26Å; A19-Y27 WeakPolarHBondContact CB-O 3.35Å; A19-C295 HydrophobicContact CB-CB 3.97Å; A19-C297 PolarHBondContact O-SG 3.46Å; A19-F306 HydrophobicContact CB-CE1 4.17Å; A19-F306 HydrophobicContact CB-CZ 3.63Å
20V98.4Very high96.4Very high12 Ų1220 Ų207%0.07312%0.124CC..EExtended strand (participates in β ladder)trans-139.1144178.9-64.20000111V22 V26 Y27 F29 A82 I89V20-V22 HydrophobicContact CG2-CG2 4.44Å; V20-V26 CarbonylContact O-C 3.55Å; V20-V26 WeakPolarHBondContact O-CA 3.41Å; V20-Y27 PolarHBondContact N-O 2.95Å; V20-Y27 PolarHBondContact O-N 3.39Å; V20-F29 HydrophobicContact CG2-CE2 4.26Å; V20-A82 VanDerWaalsContact CG1-C 3.5Å; V20-A82 HydrophobicContact CG1-CB 3.88Å; V20-A82 WeakPolarHBondContact CG1-O 3.35Å; V20-I89 HydrophobicContact CG2-CB 4.4Å; V20-I89 HydrophobicContact CG2-CD1 3.41Å; V20-I89 VanDerWaalsContact CG2-CD1 3.41Å; V20-I89 HydrophobicContact CG2-CG1 3.7Å; V20-I89 HydrophobicContact CG2-CG2 3.83Å
21A98.4Very high96.4Very high28 Ų2819.7 Ų19.723%0.23112%0.12CC..EExtended strand (participates in β ladder)trans-86.1134.8172.600000110.9K25 V26 L84 C297 R298 V299A21-K25 CarbonylContact C-O 3.54Å; A21-K25 WeakPolarHBondContact CA-O 3.29Å; A21-V26 HydrophobicContact CB-CG2 4.46Å; A21-L84 WeakPolarHBondContact O-CD2 3.13Å; A21-C297 HydrophobicContact CB-CB 4.23Å; A21-R298 WeakPolarHBondContact CB-O 3.48Å; A21-V299 HydrophobicContact CB-CG2 3.99Å
22V98.1Very high96.1Very high26 Ų2621.6 Ų21.616%0.15813%0.127CC..EExtended strand (participates in β ladder)trans-131.8103.3175.5-169.40000108V20 H24 K25 Y27 L84 I89 V110V20-V22 HydrophobicContact CG2-CG2 4.44Å; V22-H24 PolarHBondContact O-N 3.38Å; V22-H24 VanDerWaalsContact O-N 3.16Å; V22-K25 PolarHBondContact N-O 3.03Å; V22-K25 PolarHBondContact O-N 3.29Å; V22-Y27 HydrophobicContact CB-CD2 4.06Å; V22-Y27 HydrophobicContact CB-CE2 3.93Å; V22-Y27 HydrophobicContact CG2-CD2 3.62Å; V22-Y27 HydrophobicContact CG2-CE2 3.92Å; V22-L84 HydrophobicContact CB-CD2 4.46Å; V22-L84 HydrophobicContact CG1-CD1 4.47Å; V22-L84 HydrophobicContact CG1-CD2 4.31Å; V22-L84 HydrophobicContact CG2-CD1 4.01Å; V22-L84 HydrophobicContact CG2-CD2 4.11Å; V22-I89 HydrophobicContact CG2-CD1 4.01Å; V22-I89 HydrophobicContact CG2-CG1 4.45Å; V22-V110 HydrophobicContact CG1-CB 4.29Å; V22-V110 HydrophobicContact CG1-CG1 4.25Å; V22-V110 HydrophobicContact CG1-CG2 4.06Å; V22-V110 HydrophobicContact CG2-CG1 4.15Å
23G96.9Very high95.7Very high71 Ų7122 Ų2273%0.73213%0.13SC*.THydrogen-bonded Turntrans57.4-118.1-171.100000111.8
24H97.4Very high95Very high87 Ų8722.6 Ų22.640%0.40314%0.141SC..THydrogen-bonded Turntrans-94.98.4177.265.9-89.8000113.8V22 N50 A51 V52V22-H24 PolarHBondContact O-N 3.38Å; V22-H24 VanDerWaalsContact O-N 3.16Å; H24-N50 PolarHBondContact CD2-OD1 2.97Å; H24-A51 VanDerWaalsContact O-CB 3.23Å; H24-A51 WeakPolarHBondContact O-CB 3.4Å; H24-A51 PolarHBondContact O-N 2.77Å; H24-V52 HydrophobicContact CB-CG2 4.01Å
25K98.3Very high93.8Very high71 Ų7126.4 Ų26.431%0.30918%0.183SC..EExtended strand (participates in β ladder)trans-111.5154.9-179.1-64.5176.5-179.1175.30111A21 V22 Y27 V48 F49A21-K25 CarbonylContact C-O 3.54Å; A21-K25 WeakPolarHBondContact CA-O 3.29Å; V22-K25 PolarHBondContact N-O 3.03Å; V22-K25 PolarHBondContact O-N 3.29Å; K25-Y27 HydrophobicContact CB-CD2 4.4Å; K25-Y27 HydrophobicContact CB-CE2 3.94Å; K25-Y27 HydrophobicContact CD-CE2 4.34Å; K25-V48 HydrophobicContact CB-CG1 4Å; K25-V48 HydrophobicContact CD-CG1 3.97Å; K25-V48 HydrophobicContact CG-CG1 4.23Å; K25-F49 CarbonylContact C-O 3.52Å; K25-F49 WeakPolarHBondContact CA-O 3.46Å
26V98.7Very high92.5Very high0 Ų031.4 Ų31.40%021%0.207CC..EExtended strand (participates in β ladder)trans-121123.2168.5177.40000108.3A19 V20 A21 V48 F49 C297 V299 I304 F306A19-V26 HydrophobicContact CB-CG1 4.13Å; V20-V26 CarbonylContact O-C 3.55Å; V20-V26 WeakPolarHBondContact O-CA 3.41Å; A21-V26 HydrophobicContact CB-CG2 4.46Å; V26-V48 CarbonylContact O-C 3.49Å; V26-V48 WeakPolarHBondContact O-CA 3.47Å; V26-F49 HydrophobicContact CB-CB 4.22Å; V26-F49 PolarHBondContact N-O 3.18Å; V26-F49 PolarHBondContact O-N 3.37Å; V26-C297 HydrophobicContact CB-CB 4.47Å; V26-C297 HydrophobicContact CG1-CB 3.82Å; V26-C297 HydrophobicContact CG2-CB 3.78Å; V26-V299 HydrophobicContact CG2-CG2 3.71Å; V26-I304 HydrophobicContact CG2-CB 4.35Å; V26-I304 HydrophobicContact CG2-CG1 4.1Å; V26-F306 HydrophobicContact CG1-CE1 3.98Å; V26-F306 HydrophobicContact CG1-CZ 4.25Å
27Y98.7Very high90.7Very high6 Ų638.2 Ų38.22%0.02424%0.243CC..EExtended strand (participates in β ladder)trans-97.3129.9175.3-72.6-107.6000108.7A19 V20 V22 K25 F29 V46 H47 V48 I89 F108 H113A19-Y27 CarbonylContact C-O 3.52Å; A19-Y27 WeakPolarHBondContact CA-O 3.26Å; A19-Y27 WeakPolarHBondContact CB-O 3.35Å; V20-Y27 PolarHBondContact N-O 2.95Å; V20-Y27 PolarHBondContact O-N 3.39Å; V22-Y27 HydrophobicContact CB-CD2 4.06Å; V22-Y27 HydrophobicContact CB-CE2 3.93Å; V22-Y27 HydrophobicContact CG2-CD2 3.62Å; V22-Y27 HydrophobicContact CG2-CE2 3.92Å; K25-Y27 HydrophobicContact CB-CD2 4.4Å; K25-Y27 HydrophobicContact CB-CE2 3.94Å; K25-Y27 HydrophobicContact CD-CE2 4.34Å; Y27-F29 HydrophobicContact CD1-CZ 4.36Å; Y27-F29 HydrophobicContact CG-CZ 4.49Å; Y27-V46 HydrophobicContact CD1-CG1 3.98Å; Y27-H47 CarbonylContact C-O 3.48Å; Y27-H47 WeakPolarHBondContact CA-O 3.29Å; Y27-V48 HydrophobicContact CD1-CG2 3.62Å; Y27-V48 HydrophobicContact CD2-CG1 4.38Å; Y27-V48 HydrophobicContact CE1-CG1 4.33Å; Y27-V48 HydrophobicContact CE1-CG2 3.55Å; Y27-V48 HydrophobicContact CE2-CG1 4.09Å; Y27-V48 HydrophobicContact CG-CG2 4.25Å; Y27-I89 HydrophobicContact CD1-CD1 4.31Å; Y27-I89 HydrophobicContact CD2-CD1 4.34Å; Y27-I89 HydrophobicContact CG-CD1 3.93Å; Y27-F108 AromaticContact CD1-CE1 3.94Å; Y27-F108 HydrophobicContact CD1-CE1 3.94Å; Y27-F108 AromaticContact CE1-CE1 3.79Å; Y27-F108 HydrophobicContact CE1-CE1 3.79Å; Y27-H113 PolarHBondContact OH-NE2 3.13Å
28S98.4Very high89.1Confident0 Ų040.6 Ų40.60%025%0.252CS..EExtended strand (participates in β ladder)trans-122.6134.1-179.6174.90000110.3R14 H17 A18 V46 H47R14-S28 VanDerWaalsContact CD-OG 3.32Å; R14-S28 WeakPolarHBondContact CD-OG 3.3Å; H17-S28 PolarHBondContact CD2-OG 2.7Å; A18-S28 WeakPolarHBondContact O-CA 3.08Å; S28-V46 WeakPolarHBondContact O-CA 3.31Å; S28-H47 PolarHBondContact N-O 3.19Å; S28-H47 PolarHBondContact O-N 3Å
29F97.7Very high87.7Confident0 Ų046.2 Ų46.20%028%0.277CS..EExtended strand (participates in β ladder)trans-126130.1-172-56.6-88.9000111.1H17 A18 V20 Y27 I44 D45 V46 H80 A82 I89 I91 F108 W115H17-F29 WeakPolarHBondContact CB-O 3.12Å; A18-F29 PolarHBondContact N-O 3Å; A18-F29 PolarHBondContact O-N 2.94Å; V20-F29 HydrophobicContact CG2-CE2 4.26Å; Y27-F29 HydrophobicContact CD1-CZ 4.36Å; Y27-F29 HydrophobicContact CG-CZ 4.49Å; F29-I44 HydrophobicContact CB-CD1 3.92Å; F29-I44 HydrophobicContact CB-CG1 4.4Å; F29-D45 WeakPolarHBondContact CA-O 3.28Å; F29-V46 HydrophobicContact CD1-CB 4.42Å; F29-V46 HydrophobicContact CD1-CG1 4.17Å; F29-V46 HydrophobicContact CD1-CG2 3.78Å; F29-V46 HydrophobicContact CE1-CB 4.27Å; F29-V46 HydrophobicContact CE1-CG1 3.67Å; F29-V46 HydrophobicContact CE1-CG2 3.69Å; F29-V46 HydrophobicContact CZ-CG1 4.17Å; F29-H80 PolarHBondContact O-CE1 3.22Å; F29-H80 VanDerWaalsContact O-CE1 3.27Å; F29-H80 PolarHBondContact O-NE2 2.93Å; F29-A82 HydrophobicContact CD2-CB 4.43Å; F29-I89 HydrophobicContact CE2-CD1 3.98Å; F29-I89 HydrophobicContact CE2-CG2 3.88Å; F29-I89 HydrophobicContact CZ-CD1 3.75Å; F29-I89 HydrophobicContact CZ-CG2 4.07Å; F29-I91 HydrophobicContact CB-CD1 3.87Å; F29-I91 HydrophobicContact CD1-CD1 3.79Å; F29-I91 HydrophobicContact CD2-CD1 4.12Å; F29-I91 HydrophobicContact CE1-CD1 4.35Å; F29-I91 HydrophobicContact CG-CD1 3.66Å; F29-F108 HydrophobicContact CE1-CD1 4.34Å; F29-F108 HydrophobicContact CE1-CG 4.23Å; F29-F108 HydrophobicContact CZ-CD1 4.22Å; F29-F108 HydrophobicContact CZ-CG 4.46Å; F29-W115 AromaticContact CD1-CH2 3.62Å; F29-W115 HydrophobicContact CD1-CH2 3.62Å; F29-W115 AromaticContact CD1-CZ2 3.78Å; F29-W115 HydrophobicContact CD1-CZ2 3.78Å; F29-W115 AromaticContact CE1-CH2 3.71Å; F29-W115 HydrophobicContact CE1-CH2 3.71Å; F29-W115 AromaticContact CE1-CZ2 3.8Å; F29-W115 HydrophobicContact CE1-CZ2 3.8Å
30G95.1Very high86.3Confident0 Ų046.7 Ų46.70%028%0.278CS..  trans55-138.6170.800000114.7R14 H17 I44 D45R14-G30 PolarHBondContact NH1-O 3.02Å; H17-G30 VanDerWaalsContact CB-O 3.25Å; H17-G30 WeakPolarHBondContact CB-O 3.49Å; G30-I44 VanDerWaalsContact CA-CG1 3.5Å; G30-D45 PolarHBondContact N-O 3.01Å; G30-D45 PolarHBondContact N-OD1 3.5Å
31G93.4Very high85.1Confident0 Ų051.7 Ų51.70%030%0.304CS..  trans85.5179.4-163.400000111.2V15 Y38 M76 R77V15-G31 CarbonylContact O-C 3.58Å; V15-G31 WeakPolarHBondContact O-CA 3.47Å; G31-Y38 WeakPolarHBondContact O-CE2 3.4Å; G31-M76 VanDerWaalsContact O-CE 3.25Å; G31-M76 WeakPolarHBondContact O-CE 3.33Å; G31-R77 PolarHBondContact N-O 3.44Å
32Y88.2Confident84.4Confident43 Ų4356 Ų5617%0.16931%0.314CS..BIsolated β-bridgetrans-123.7163.5174.673.9-86.5000110.9R14 V15 N16 Y38 Y78 R293R14-Y32 CarbonylContact C-O 3.58Å; R14-Y32 WeakPolarHBondContact CA-O 3.37Å; V15-Y32 HydrophobicContact CB-CD1 4.12Å; V15-Y32 HydrophobicContact CB-CE1 3.74Å; V15-Y32 HydrophobicContact CB-CE2 4.19Å; V15-Y32 HydrophobicContact CB-CG 4.5Å; V15-Y32 HydrophobicContact CG1-CD1 4.46Å; V15-Y32 HydrophobicContact CG1-CE1 3.63Å; V15-Y32 HydrophobicContact CG1-CE2 4.44Å; V15-Y32 WeakPolarHBondContact CG1-OH 3.37Å; V15-Y32 PolarHBondContact N-O 2.99Å; V15-Y32 PolarHBondContact O-N 2.71Å; N16-Y32 HydrophobicContact CB-CD1 4.48Å; N16-Y32 HydrophobicContact CB-CE1 4.23Å; Y32-Y38 VanDerWaalsContact CB-CE2 3.49Å; Y32-Y78 AromaticContact CD1-CD1 3.82Å; Y32-Y78 HydrophobicContact CD1-CD1 3.82Å; Y32-Y78 HydrophobicContact CD1-CD2 4.41Å; Y32-Y78 HydrophobicContact CD1-CE1 4.49Å; Y32-Y78 AromaticContact CD1-CG 3.78Å; Y32-Y78 HydrophobicContact CD1-CG 3.78Å; Y32-Y78 HydrophobicContact CE1-CG 4.45Å; Y32-Y78 HydrophobicContact CG-CD1 4.33Å; Y32-R293 PolarHBondContact OH-NH1 3.17Å
33C85.4Confident84Confident11 Ų1157.4 Ų57.47%0.07432%0.319CS..  trans-129.9125.9171.5-176.80000108.8R13 E36 D325R13-C33 WeakPolarHBondContact CD-SG 3.42Å; C33-E36 HydrophobicContact CB-CB 4.38Å; C33-E36 HydrophobicContact CB-CG 4.38Å; C33-D325 VanDerWaalsContact CA-OD2 3.29Å; C33-D325 WeakPolarHBondContact CA-OD2 3.31Å
34S78.9Confident83.8Confident60 Ų6054.3 Ų54.342%0.4229%0.286SS..THydrogen-bonded Turntrans-67.1131.8176.3-47.40000109.4E36 D325S34-E36 VanDerWaalsContact C-N 3.32Å; S34-E36 PolarHBondContact O-N 3.31Å; S34-D325 WeakPolarHBondContact CB-OD2 3.47Å; S34-D325 PolarHBondContact N-OD2 2.87Å; S34-D325 PolarHBondContact OG-OD1 2.89Å; S34-D325 PolarHBondContact OG-OD2 3.26Å; S34-D325 VanDerWaalsContact OG-OD2 3.08Å
35G64.4Low83.6Confident90 Ų9051.2 Ų51.293%0.92827%0.272SS*.THydrogen-bonded Turntrans791.2177.100000116.4
36E65.9Low83.5Confident104 Ų10448.2 Ų48.249%0.48626%0.26SS..SBendtrans-97.7150.9164-67.3-170.1168.700109.6C33 S34 Y38C33-E36 HydrophobicContact CB-CB 4.38Å; C33-E36 HydrophobicContact CB-CG 4.38Å; S34-E36 VanDerWaalsContact C-N 3.32Å; S34-E36 PolarHBondContact O-N 3.31Å; E36-Y38 VanDerWaalsContact C-N 3.29Å; E36-Y38 PolarHBondContact O-N 3.43Å
37D59Low83.5Confident160 Ų16048.4 Ų48.486%0.85626%0.261SS*.  trans-60.593173-71.9-34.5000109E39D37-E39 VanDerWaalsContact C-N 3.25Å; D37-E39 PolarHBondContact O-N 2.93Å
38Y63.6Low83.4Confident59 Ų5948.4 Ų48.423%0.23126%0.262CS..  trans-74.984.4177.5-170.9-97.8000108.4G31 Y32 E36 T40 M76 R77 N96G31-Y38 WeakPolarHBondContact O-CE2 3.4Å; Y32-Y38 VanDerWaalsContact CB-CE2 3.49Å; E36-Y38 VanDerWaalsContact C-N 3.29Å; E36-Y38 PolarHBondContact O-N 3.43Å; Y38-T40 HydrophobicContact CD1-CG2 3.61Å; Y38-T40 HydrophobicContact CE1-CG2 3.79Å; Y38-T40 PolarHBondContact O-N 3.06Å; Y38-M76 HydrophobicContact CD2-CG 4.5Å; Y38-M76 HydrophobicContact CE2-CE 4.22Å; Y38-M76 HydrophobicContact CE2-CG 3.63Å; Y38-M76 PolarHBondContact OH-O 2.83Å; Y38-R77 WeakPolarHBondContact OH-CA 3.3Å; Y38-R77 PolarHBondContact OH-N 2.94Å; Y38-N96 HydrophobicContact CE1-CB 4.13Å
39E69.3Low83.5Confident125 Ų12548.5 Ų48.558%0.58426%0.262SS*.  trans-6593.8171.8-71.4179.3-155.100109.6D37 L41 R42D37-E39 VanDerWaalsContact C-N 3.25Å; D37-E39 PolarHBondContact O-N 2.93Å; E39-L41 PolarHBondContact O-N 3.02Å; E39-R42 HydrophobicContact CB-CB 3.98Å; E39-R42 WeakPolarHBondContact O-CB 3.3Å; E39-R42 PolarHBondContact O-N 3.26Å
40T68.8Low83.5Confident27 Ų2750.3 Ų50.317%0.16627%0.272CS..THydrogen-bonded Turntrans-60-30.4-174.752.50000113.4Y38 R42 N96 T98Y38-T40 HydrophobicContact CD1-CG2 3.61Å; Y38-T40 HydrophobicContact CE1-CG2 3.79Å; Y38-T40 PolarHBondContact O-N 3.06Å; T40-R42 VanDerWaalsContact C-N 3.32Å; T40-N96 PolarHBondContact O-ND2 2.85Å; T40-T98 WeakPolarHBondContact CB-OG1 3.39Å; T40-T98 WeakPolarHBondContact CG2-OG1 3.45Å; T40-T98 WeakPolarHBondContact OG1-CB 3.21Å; T40-T98 PolarHBondContact OG1-OG1 2.92Å
41L72.8Confident83.6Confident118 Ų11851.6 Ų51.662%0.61828%0.282SS*.THydrogen-bonded Turntrans-85.9-2.1179.2-62.2178.4000113.5E39 T98 E99E39-L41 PolarHBondContact O-N 3.02Å; L41-T98 HydrophobicContact CD2-CG2 3.87Å; L41-T98 HydrophobicContact CG-CG2 4.37Å; L41-E99 HydrophobicContact CD2-CG 4.23Å; L41-E99 WeakPolarHBondContact CD2-OE1 3.48Å
42R84.3Confident83.7Confident117 Ų11756 Ų5644%0.44231%0.309SS..SBendtrans-66.3148.8177.8-168.4-177174.915910.8110.3E39 T40 Y75 M76E39-R42 HydrophobicContact CB-CB 3.98Å; E39-R42 WeakPolarHBondContact O-CB 3.3Å; E39-R42 PolarHBondContact O-N 3.26Å; T40-R42 VanDerWaalsContact C-N 3.32Å; R42-Y75 CarbonylContact O-C 3.52Å; R42-Y75 WeakPolarHBondContact O-CA 3.42Å; R42-M76 HydrophobicContact CB-CB 4.38Å; R42-M76 WeakPolarHBondContact O-CB 3.28Å; R42-M76 PolarHBondContact O-N 3.34Å
43Q89.6Confident84Confident56 Ų5655.3 Ų55.326%0.26231%0.31SS..BIsolated β-bridgetrans-57.4142.6165.9-67.41793.100110.7D45 V62 V73Q43-D45 PolarHBondContact O-N 3.43Å; Q43-V62 PolarHBondContact NE2-O 2.66Å; Q43-V62 VanDerWaalsContact OE1-N 3.13Å; Q43-V62 PolarHBondContact OE1-O 2.7Å; Q43-V73 HydrophobicContact CB-CG1 3.81Å; Q43-V73 HydrophobicContact CG-CB 4.21Å; Q43-V73 HydrophobicContact CG-CG1 3.89Å
44I92.6Very high84.6Confident7 Ų755.4 Ų55.44%0.03631%0.31CS..PPolyproline II helixtrans-57.1131.4171.4-159.7167.8000109F29 G30 V73 P74 M76 R77 W115F29-I44 HydrophobicContact CB-CD1 3.92Å; F29-I44 HydrophobicContact CB-CG1 4.4Å; G30-I44 VanDerWaalsContact CA-CG1 3.5Å; I44-V73 HydrophobicContact CG2-CG1 4.37Å; I44-P74 HydrophobicContact CB-CB 4.12Å; I44-P74 WeakPolarHBondContact CB-O 3.4Å; I44-P74 HydrophobicContact CD1-CB 4.4Å; I44-P74 HydrophobicContact CG2-CB 3.77Å; I44-P74 HydrophobicContact CG2-CG 3.67Å; I44-P74 WeakPolarHBondContact CG2-O 3.43Å; I44-P74 PolarHBondContact N-O 2.91Å; I44-M76 HydrophobicContact CG1-SD 4.48Å; I44-R77 HydrophobicContact CD1-CG 4.27Å; I44-W115 HydrophobicContact CG2-CH2 3.89Å; I44-W115 HydrophobicContact CG2-CZ2 3.57Å
45D92.9Very high85.4Confident21 Ų2155.8 Ų55.811%0.11230%0.302CS..PPolyproline II helixtrans-84.4156.8177.766.38.7000111.7R14 F29 G30 Q43 H47R14-D45 IonicContact CZ-OD1 3.85Å; R14-D45 IonicContact CZ-OD2 3.8Å; R14-D45 IonicContact NH1-OD1 3.8Å; R14-D45 PolarHBondContact NH1-OD1 3.35Å; R14-D45 IonicContact NH1-OD2 3.43Å; R14-D45 IonicContact NH2-OD1 2.91Å; R14-D45 PolarHBondContact NH2-OD1 3.12Å; R14-D45 IonicContact NH2-OD2 3.96Å; R14-D45 PolarHBondContact NH2-OD2 3.19Å; F29-D45 WeakPolarHBondContact CA-O 3.28Å; G30-D45 PolarHBondContact N-O 3.01Å; G30-D45 PolarHBondContact N-OD1 3.5Å; Q43-D45 PolarHBondContact O-N 3.43Å; D45-H47 IonicContact OD1-ND1 3.74Å; D45-H47 IonicContact OD2-CE1 3.3Å; D45-H47 PolarHBondContact OD2-CE1 2.87Å; D45-H47 IonicContact OD2-ND1 2.66Å
46V96.3Very high87Confident9 Ų952.3 Ų52.36%0.05526%0.261CS..EExtended strand (participates in β ladder)trans-124.4117.2176.6-169.90000109.1Y27 S28 F29 V48 L59 F108 W115Y27-V46 HydrophobicContact CD1-CG1 3.98Å; S28-V46 WeakPolarHBondContact O-CA 3.31Å; F29-V46 HydrophobicContact CD1-CB 4.42Å; F29-V46 HydrophobicContact CD1-CG1 4.17Å; F29-V46 HydrophobicContact CD1-CG2 3.78Å; F29-V46 HydrophobicContact CE1-CB 4.27Å; F29-V46 HydrophobicContact CE1-CG1 3.67Å; F29-V46 HydrophobicContact CE1-CG2 3.69Å; F29-V46 HydrophobicContact CZ-CG1 4.17Å; V46-V48 HydrophobicContact CG1-CG2 4.36Å; V46-L59 HydrophobicContact CB-CB 4.22Å; V46-L59 HydrophobicContact CB-CD1 3.99Å; V46-L59 HydrophobicContact CB-CG 4.25Å; V46-L59 HydrophobicContact CG1-CD1 3.7Å; V46-L59 HydrophobicContact CG1-CG 4.24Å; V46-L59 PolarHBondContact O-N 3.44Å; V46-F108 HydrophobicContact CG1-CZ 4.36Å; V46-F108 HydrophobicContact CG2-CE2 4.32Å; V46-W115 HydrophobicContact CG2-CZ2 3.76Å
47H97.6Very high88.5Confident4 Ų451.9 Ų51.92%0.01926%0.261CS..EExtended strand (participates in β ladder)trans-108.1137.7171.8-70.177.8000109.7P12 R14 Y27 S28 D45 W56 I57 I373P12-H47 HydrophobicContact CB-CB 4.41Å; P12-H47 HydrophobicContact CG-CB 4.08Å; R14-H47 PolarHBondContact NH2-CE1 3.29Å; R14-H47 PolarHBondContact NH2-ND1 2.99Å; Y27-H47 CarbonylContact C-O 3.48Å; Y27-H47 WeakPolarHBondContact CA-O 3.29Å; S28-H47 PolarHBondContact N-O 3.19Å; S28-H47 PolarHBondContact O-N 3Å; D45-H47 IonicContact OD1-ND1 3.74Å; D45-H47 IonicContact OD2-CE1 3.3Å; D45-H47 PolarHBondContact OD2-CE1 2.87Å; D45-H47 IonicContact OD2-ND1 2.66Å; H47-W56 HydrophobicContact CB-CE3 3.86Å; H47-W56 HydrophobicContact CB-CZ3 3.85Å; H47-I57 CarbonylContact C-O 3.51Å; H47-I57 WeakPolarHBondContact CA-O 3.17Å; H47-I373 WeakPolarHBondContact NE2-CG2 3.05Å
48V98.3Very high90.2Very high6 Ų648.6 Ų48.64%0.03624%0.239CC..EExtended strand (participates in β ladder)trans-121.8117.8-179.3-171.40000109.1K25 V26 Y27 V46 W56 I57 L59K25-V48 HydrophobicContact CB-CG1 4Å; K25-V48 HydrophobicContact CD-CG1 3.97Å; K25-V48 HydrophobicContact CG-CG1 4.23Å; V26-V48 CarbonylContact O-C 3.49Å; V26-V48 WeakPolarHBondContact O-CA 3.47Å; Y27-V48 HydrophobicContact CD1-CG2 3.62Å; Y27-V48 HydrophobicContact CD2-CG1 4.38Å; Y27-V48 HydrophobicContact CE1-CG1 4.33Å; Y27-V48 HydrophobicContact CE1-CG2 3.55Å; Y27-V48 HydrophobicContact CE2-CG1 4.09Å; Y27-V48 HydrophobicContact CG-CG2 4.25Å; V46-V48 HydrophobicContact CG1-CG2 4.36Å; V48-W56 CarbonylContact O-C 3.55Å; V48-W56 WeakPolarHBondContact O-CA 3.42Å; V48-I57 HydrophobicContact CB-CD1 4.31Å; V48-I57 HydrophobicContact CB-CG1 3.82Å; V48-I57 PolarHBondContact N-O 3.35Å; V48-I57 PolarHBondContact O-N 3.12Å; V48-L59 HydrophobicContact CG2-CD1 3.98Å; V48-L59 HydrophobicContact CG2-CD2 4.06Å; V48-L59 HydrophobicContact CG2-CG 3.9Å
49F98.6Very high91.7Very high1 Ų147 Ų470%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-92.7131.6170-179.1-109.9000109.6K25 V26 A51 L54 R55 W56 I304 L329 I331K25-F49 CarbonylContact C-O 3.52Å; K25-F49 WeakPolarHBondContact CA-O 3.46Å; V26-F49 HydrophobicContact CB-CB 4.22Å; V26-F49 PolarHBondContact N-O 3.18Å; V26-F49 PolarHBondContact O-N 3.37Å; F49-A51 HydrophobicContact CD1-CB 4.47Å; F49-A51 HydrophobicContact CE1-CB 4.14Å; F49-L54 HydrophobicContact CE1-CD2 4.33Å; F49-L54 VanDerWaalsContact CE2-C 3.44Å; F49-L54 HydrophobicContact CE2-CB 4.44Å; F49-L54 HydrophobicContact CZ-CB 4.23Å; F49-L54 HydrophobicContact CZ-CD2 3.75Å; F49-R55 WeakPolarHBondContact CA-O 3.29Å; F49-W56 HydrophobicContact CB-CD2 3.72Å; F49-W56 HydrophobicContact CB-CE3 3.59Å; F49-W56 HydrophobicContact CB-CH2 3.6Å; F49-W56 HydrophobicContact CB-CZ2 3.74Å; F49-W56 HydrophobicContact CB-CZ3 3.53Å; F49-W56 AromaticContact CD2-CD1 3.84Å; F49-W56 AromaticContact CD2-CD2 3.9Å; F49-W56 HydrophobicContact CD2-CD2 3.9Å; F49-W56 AromaticContact CD2-CE2 3.67Å; F49-W56 HydrophobicContact CD2-CG 4.03Å; F49-W56 HydrophobicContact CD2-CZ2 4.23Å; F49-W56 AromaticContact CD2-NE1 3.61Å; F49-W56 HydrophobicContact CG-CD2 4.27Å; F49-W56 HydrophobicContact CG-CH2 4.49Å; F49-W56 HydrophobicContact CG-CZ2 4.17Å; F49-I304 HydrophobicContact CD1-CG2 4.03Å; F49-I304 HydrophobicContact CE1-CD1 4.07Å; F49-I304 HydrophobicContact CE1-CG1 4.37Å; F49-I304 HydrophobicContact CE1-CG2 4.01Å; F49-L329 HydrophobicContact CD1-CD1 4.11Å; F49-L329 HydrophobicContact CD2-CD1 3.72Å; F49-L329 HydrophobicContact CE1-CD1 3.97Å; F49-L329 HydrophobicContact CE1-CD2 4.44Å; F49-L329 HydrophobicContact CE2-CD1 3.56Å; F49-L329 HydrophobicContact CE2-CD2 4.25Å; F49-L329 HydrophobicContact CG-CD1 3.97Å; F49-L329 HydrophobicContact CZ-CD1 3.69Å; F49-L329 HydrophobicContact CZ-CD2 3.85Å; F49-L329 HydrophobicContact CZ-CG 4.47Å; F49-I331 HydrophobicContact CE1-CD1 4.46Å; F49-I331 HydrophobicContact CZ-CD1 4.34Å
50N97.9Very high92.7Very high39 Ų3946 Ų4621%0.20924%0.239CC..EExtended strand (participates in β ladder)trans-98.5115.4170.7-178.1-36.2000109.3H24 V52 S53 L54 R55H24-N50 PolarHBondContact CD2-OD1 2.97Å; N50-V52 PolarHBondContact O-N 2.67Å; N50-V52 WeakPolarHBondContact OD1-CA 3.37Å; N50-V52 VanDerWaalsContact OD1-CB 3.3Å; N50-V52 WeakPolarHBondContact OD1-CB 3.45Å; N50-V52 PolarHBondContact OD1-N 3.27Å; N50-S53 WeakPolarHBondContact CB-OG 3.37Å; N50-S53 PolarHBondContact OD1-N 2.72Å; N50-S53 VanDerWaalsContact OD1-N 3.13Å; N50-L54 WeakPolarHBondContact O-CA 3.27Å; N50-L54 PolarHBondContact O-N 2.93Å; N50-R55 PolarHBondContact N-O 3.39Å; N50-R55 PolarHBondContact O-N 2.76Å
51A97.3Very high93.5Very high26 Ų2648.6 Ų48.622%0.21526%0.256CS..THydrogen-bonded Turntrans-73.6-9.9-177.200000114.2H24 F49 L54 V299H24-A51 VanDerWaalsContact O-CB 3.23Å; H24-A51 WeakPolarHBondContact O-CB 3.4Å; H24-A51 PolarHBondContact O-N 2.77Å; F49-A51 HydrophobicContact CD1-CB 4.47Å; F49-A51 HydrophobicContact CE1-CB 4.14Å; A51-L54 WeakPolarHBondContact O-CD2 3.31Å; A51-V299 HydrophobicContact CB-CB 4.36Å; A51-V299 HydrophobicContact CB-CG1 3.83Å; A51-V299 HydrophobicContact CB-CG2 4.45Å
52V95.3Very high94Very high94 Ų9445.5 Ų45.557%0.5724%0.242SC*.THydrogen-bonded Turntrans-86.3-51.1173.5-177.20000110.2H24 N50H24-V52 HydrophobicContact CB-CG2 4.01Å; N50-V52 PolarHBondContact O-N 2.67Å; N50-V52 WeakPolarHBondContact OD1-CA 3.37Å; N50-V52 VanDerWaalsContact OD1-CB 3.3Å; N50-V52 WeakPolarHBondContact OD1-CB 3.45Å; N50-V52 PolarHBondContact OD1-N 3.27Å
53S95.9Very high93.4Very high28 Ų2850.2 Ų50.220%0.19626%0.26CS..THydrogen-bonded Turntrans-84.9-12.1179.565.30000114.5N50 R55N50-S53 WeakPolarHBondContact CB-OG 3.37Å; N50-S53 PolarHBondContact OD1-N 2.72Å; N50-S53 VanDerWaalsContact OD1-N 3.13Å; S53-R55 VanDerWaalsContact C-N 3.25Å; S53-R55 PolarHBondContact O-N 3.09Å
54L97.5Very high92.1Very high13 Ų1350 Ų507%0.06826%0.263CS..THydrogen-bonded Turntrans57.437.6-176.6-53.8177.5000112.6V6 L8 F49 N50 A51 I331 A366 M367V6-L54 HydrophobicContact CG1-CD1 4.29Å; V6-L54 HydrophobicContact CG2-CD1 4.24Å; L8-L54 HydrophobicContact CD1-CB 3.8Å; F49-L54 HydrophobicContact CE1-CD2 4.33Å; F49-L54 VanDerWaalsContact CE2-C 3.44Å; F49-L54 HydrophobicContact CE2-CB 4.44Å; F49-L54 HydrophobicContact CZ-CB 4.23Å; F49-L54 HydrophobicContact CZ-CD2 3.75Å; N50-L54 WeakPolarHBondContact O-CA 3.27Å; N50-L54 PolarHBondContact O-N 2.93Å; A51-L54 WeakPolarHBondContact O-CD2 3.31Å; L54-I331 HydrophobicContact CD2-CD1 3.48Å; L54-I331 VanDerWaalsContact CD2-CD1 3.48Å; L54-A366 HydrophobicContact CB-CB 4.47Å; L54-A366 HydrophobicContact CD1-CB 4.16Å; L54-A366 HydrophobicContact CG-CB 4.47Å; L54-M367 HydrophobicContact CD1-CB 4.34Å; L54-M367 HydrophobicContact CD1-CG 3.69Å
55R96.6Very high90.3Very high67 Ų6757.6 Ų57.625%0.25330%0.304SS..EExtended strand (participates in β ladder)trans-124.3143.5-179.1-64.6-61.4173.7-90.9-5.1112.4F49 N50 S53 A365 A366 T369F49-R55 WeakPolarHBondContact CA-O 3.29Å; N50-R55 PolarHBondContact N-O 3.39Å; N50-R55 PolarHBondContact O-N 2.76Å; S53-R55 VanDerWaalsContact C-N 3.25Å; S53-R55 PolarHBondContact O-N 3.09Å; R55-A365 PolarHBondContact NH2-O 3.47Å; R55-A366 PolarHBondContact NH1-O 2.9Å; R55-T369 PolarHBondContact NH1-O 2.89Å; R55-T369 VanDerWaalsContact NH1-O 3.08Å; R55-T369 VanDerWaalsContact NH2-CB 3.32Å; R55-T369 PolarHBondContact NH2-O 2.82Å
56W97.6Very high88.5Confident17 Ų1758.7 Ų58.76%0.06431%0.313CS..EExtended strand (participates in β ladder)trans-89.3144.4169-72.1102.1000111.1P12 H47 V48 F49 F306 L329 I373P12-W56 HydrophobicContact CG-CD2 4.24Å; P12-W56 HydrophobicContact CG-CE3 4.15Å; P12-W56 HydrophobicContact CG-CH2 4.21Å; P12-W56 HydrophobicContact CG-CZ2 4.27Å; P12-W56 HydrophobicContact CG-CZ3 4.15Å; H47-W56 HydrophobicContact CB-CE3 3.86Å; H47-W56 HydrophobicContact CB-CZ3 3.85Å; V48-W56 CarbonylContact O-C 3.55Å; V48-W56 WeakPolarHBondContact O-CA 3.42Å; F49-W56 HydrophobicContact CB-CD2 3.72Å; F49-W56 HydrophobicContact CB-CE3 3.59Å; F49-W56 HydrophobicContact CB-CH2 3.6Å; F49-W56 HydrophobicContact CB-CZ2 3.74Å; F49-W56 HydrophobicContact CB-CZ3 3.53Å; F49-W56 AromaticContact CD2-CD1 3.84Å; F49-W56 AromaticContact CD2-CD2 3.9Å; F49-W56 HydrophobicContact CD2-CD2 3.9Å; F49-W56 AromaticContact CD2-CE2 3.67Å; F49-W56 HydrophobicContact CD2-CG 4.03Å; F49-W56 HydrophobicContact CD2-CZ2 4.23Å; F49-W56 AromaticContact CD2-NE1 3.61Å; F49-W56 HydrophobicContact CG-CD2 4.27Å; F49-W56 HydrophobicContact CG-CH2 4.49Å; F49-W56 HydrophobicContact CG-CZ2 4.17Å; W56-F306 HydrophobicContact CH2-CD1 4.32Å; W56-F306 AromaticContact CH2-CD2 3.84Å; W56-F306 HydrophobicContact CH2-CD2 3.84Å; W56-F306 HydrophobicContact CH2-CE1 4.07Å; W56-F306 AromaticContact CH2-CE2 3.54Å; W56-F306 HydrophobicContact CH2-CE2 3.54Å; W56-F306 HydrophobicContact CH2-CG 4.22Å; W56-F306 AromaticContact CH2-CZ 3.67Å; W56-F306 HydrophobicContact CH2-CZ 3.67Å; W56-F306 HydrophobicContact CZ2-CB 4.45Å; W56-F306 HydrophobicContact CZ2-CD1 4.18Å; W56-F306 AromaticContact CZ2-CD2 3.74Å; W56-F306 HydrophobicContact CZ2-CD2 3.74Å; W56-F306 HydrophobicContact CZ2-CE1 4.38Å; W56-F306 AromaticContact CZ2-CE2 3.95Å; W56-F306 HydrophobicContact CZ2-CE2 3.95Å; W56-F306 AromaticContact CZ2-CG 3.86Å; W56-F306 HydrophobicContact CZ2-CG 3.86Å; W56-F306 HydrophobicContact CZ2-CZ 4.28Å; W56-L329 HydrophobicContact CZ2-CD1 3.69Å; W56-I373 HydrophobicContact CB-CD1 4.14Å; W56-I373 HydrophobicContact CB-CG1 3.58Å; W56-I373 HydrophobicContact CG-CG1 4.48Å
57I96.3Very high86.4Confident95 Ų9569.7 Ų69.749%0.48735%0.353SS..EExtended strand (participates in β ladder)trans-127.7149.6161.863.1170.5000108.9H47 V48 L59H47-I57 CarbonylContact C-O 3.51Å; H47-I57 WeakPolarHBondContact CA-O 3.17Å; V48-I57 HydrophobicContact CB-CD1 4.31Å; V48-I57 HydrophobicContact CB-CG1 3.82Å; V48-I57 PolarHBondContact N-O 3.35Å; V48-I57 PolarHBondContact O-N 3.12Å; I57-L59 HydrophobicContact CD1-CD2 4.03Å
58K95.4Very high84.1Confident91 Ų9176.3 Ų76.340%0.39639%0.389SS..EExtended strand (participates in β ladder)trans-99.7125.4167.4-176.9174-178.6168.10108.1
59L94.8Very high81.9Confident25 Ų2579.9 Ų79.913%0.13141%0.405CS..PPolyproline II helixtrans-70.9145.4173.5-59.3-173.2000109.7V46 V48 I57 F108 H113V46-L59 HydrophobicContact CB-CB 4.22Å; V46-L59 HydrophobicContact CB-CD1 3.99Å; V46-L59 HydrophobicContact CB-CG 4.25Å; V46-L59 HydrophobicContact CG1-CD1 3.7Å; V46-L59 HydrophobicContact CG1-CG 4.24Å; V46-L59 PolarHBondContact O-N 3.44Å; V48-L59 HydrophobicContact CG2-CD1 3.98Å; V48-L59 HydrophobicContact CG2-CD2 4.06Å; V48-L59 HydrophobicContact CG2-CG 3.9Å; I57-L59 HydrophobicContact CD1-CD2 4.03Å; L59-F108 HydrophobicContact CD1-CZ 3.88Å; L59-H113 HydrophobicContact CD1-CB 4.3Å
60P90.6Very high79.6Confident106 Ų10685.2 Ų85.269%0.68844%0.437SS*.PPolyproline II helixtrans-62.4150.4176.927.1-34.4000110.8
61P85Confident78Confident80 Ų8093.2 Ų93.252%0.51947%0.465SS..PPolyproline II helixtrans-61.8154.3173.128.6-34.5000110.7W63P61-W63 PolarHBondContact O-N 3.13Å
62V83.4Confident77.3Confident54 Ų5495.9 Ų95.933%0.32747%0.472SS..PPolyproline II helixtrans-83.8118.1177.9-179.50000109.1Q43 T64 V73Q43-V62 PolarHBondContact NE2-O 2.66Å; Q43-V62 VanDerWaalsContact OE1-N 3.13Å; Q43-V62 PolarHBondContact OE1-O 2.7Å; V62-T64 HydrophobicContact CG1-CG2 4.33Å; V62-T64 PolarHBondContact O-N 3.39Å; V62-V73 HydrophobicContact CB-CG2 4.05Å; V62-V73 HydrophobicContact CG1-CG2 4.34Å; V62-V73 HydrophobicContact CG2-CG2 4.36Å
63W73Confident77Confident215 Ų21591.9 Ų91.981%0.81445%0.448SS*.  trans-78.6109.1175.3-60.997.3000110P61P61-W63 PolarHBondContact O-N 3.13Å
64T62Low76.9Confident52 Ų5290.6 Ų90.632%0.31944%0.439SS..  trans-100.4110.3173.755.70000109.4V62 S66 H69V62-T64 HydrophobicContact CG1-CG2 4.33Å; V62-T64 PolarHBondContact O-N 3.39Å; T64-S66 PolarHBondContact O-N 2.93Å; T64-H69 HydrophobicContact CG2-CB 3.93Å
65N54.9Low76.6Confident167 Ų16791.6 Ų91.689%0.89344%0.442SS*.  trans-76.87.7-179.9-75.5-15000114.1
66S53.6Low76.3Confident43 Ų4389.5 Ų89.530%0.30144%0.436SS..SBendtrans-139.3143.6177.2107.10000112.3T64 D68 H69T64-S66 PolarHBondContact O-N 2.93Å; S66-D68 PolarHBondContact O-N 3.3Å; S66-D68 VanDerWaalsContact O-N 3.16Å; S66-D68 PolarHBondContact OG-N 2.81Å; S66-H69 PolarHBondContact O-N 3.46Å; S66-H69 PolarHBondContact OG-ND1 3.36Å
67R52.5Low76.2Confident240 Ų24088.7 Ų88.791%0.90643%0.433SS*.G310 helixtrans-63.5-12.7175.4-71-178.6176.5-176.6-1.6113.2V70R67-V70 WeakPolarHBondContact O-CG2 3.45Å
68D50Low76.2Confident144 Ų14485.8 Ų85.877%0.7742%0.416SS*.G310 helixtrans-83.6-14.1-179.2-64.3-43.8000113.7S66S66-D68 PolarHBondContact O-N 3.3Å; S66-D68 VanDerWaalsContact O-N 3.16Å; S66-D68 PolarHBondContact OG-N 2.81Å
69H50.9Low76.2Confident81 Ų8181.8 Ų81.838%0.37540%0.401SS..G310 helixtrans-98.69.9-175.4-67.763.1000114.2T64 S66 R71 E72T64-H69 HydrophobicContact CG2-CB 3.93Å; S66-H69 PolarHBondContact O-N 3.46Å; S66-H69 PolarHBondContact OG-ND1 3.36Å; H69-R71 PolarHBondContact O-N 2.89Å; H69-E72 IonicContact CD2-OE1 3.71Å; H69-E72 IonicContact CD2-OE2 3.44Å; H69-E72 PolarHBondContact CD2-OE2 3.12Å; H69-E72 PolarHBondContact O-N 2.79Å; H69-E72 VanDerWaalsContact O-N 3.14Å
70V51.5Low76.4Confident112 Ų11281.1 Ų81.168%0.67940%0.397SS*.THydrogen-bonded Turntrans-58.7-9.4174.7-178.60000112.2R67R67-V70 WeakPolarHBondContact O-CG2 3.45Å
71R64.6Low76.8Confident208 Ų20876.6 Ų76.679%0.78537%0.368SS*.THydrogen-bonded Turntrans-102-1.9-179.3-66.2-175.8172.9-175.7-1.5115.9H69 Y106 T117H69-R71 PolarHBondContact O-N 2.89Å; R71-Y106 WeakPolarHBondContact O-CE1 3.37Å; R71-T117 PolarHBondContact O-OG1 3.06Å
72E82.4Confident77.4Confident81 Ų8173.6 Ų73.638%0.37935%0.349SS..THydrogen-bonded Turntrans-90.1-31.3-178.9-68-168.1160.300113.3H69 W115H69-E72 IonicContact CD2-OE1 3.71Å; H69-E72 IonicContact CD2-OE2 3.44Å; H69-E72 PolarHBondContact CD2-OE2 3.12Å; H69-E72 PolarHBondContact O-N 2.79Å; H69-E72 VanDerWaalsContact O-N 3.14Å; E72-W115 WeakPolarHBondContact O-CB 3.42Å
73V89.4Confident78.2Confident11 Ų1171.4 Ų71.47%0.06734%0.336CS..SBendtrans-101.9131.2177.7-171.70000108.4Q43 I44 V62 W115Q43-V73 HydrophobicContact CB-CG1 3.81Å; Q43-V73 HydrophobicContact CG-CB 4.21Å; Q43-V73 HydrophobicContact CG-CG1 3.89Å; I44-V73 HydrophobicContact CG2-CG1 4.37Å; V62-V73 HydrophobicContact CB-CG2 4.05Å; V62-V73 HydrophobicContact CG1-CG2 4.34Å; V62-V73 HydrophobicContact CG2-CG2 4.36Å; V73-W115 HydrophobicContact CB-CG 4.47Å; V73-W115 HydrophobicContact CG1-CD2 4.49Å; V73-W115 HydrophobicContact CG1-CG 4.26Å; V73-W115 HydrophobicContact CG2-CB 4.13Å; V73-W115 HydrophobicContact CG2-CG 4.13Å
74P92.6Very high79.4Confident0 Ų063.7 Ų63.70%031%0.311CS..PPolyproline II helixtrans-60.4143.8174.5-12.120000110.9I44 Y106 W115I44-P74 HydrophobicContact CB-CB 4.12Å; I44-P74 WeakPolarHBondContact CB-O 3.4Å; I44-P74 HydrophobicContact CD1-CB 4.4Å; I44-P74 HydrophobicContact CG2-CB 3.77Å; I44-P74 HydrophobicContact CG2-CG 3.67Å; I44-P74 WeakPolarHBondContact CG2-O 3.43Å; I44-P74 PolarHBondContact N-O 2.91Å; P74-Y106 HydrophobicContact CB-CD1 4.32Å; P74-Y106 HydrophobicContact CB-CD2 3.9Å; P74-Y106 HydrophobicContact CB-CE1 4.33Å; P74-Y106 HydrophobicContact CB-CE2 3.92Å; P74-Y106 HydrophobicContact CB-CG 4.1Å; P74-Y106 HydrophobicContact CG-CD1 3.72Å; P74-Y106 HydrophobicContact CG-CD2 3.76Å; P74-Y106 HydrophobicContact CG-CE1 4.2Å; P74-Y106 HydrophobicContact CG-CE2 4.23Å; P74-Y106 HydrophobicContact CG-CG 3.47Å; P74-Y106 VanDerWaalsContact CG-CG 3.47Å; P74-W115 VanDerWaalsContact CD-CE3 3.47Å; P74-W115 HydrophobicContact CG-CE3 3.89Å; P74-W115 HydrophobicContact CG-CH2 3.88Å; P74-W115 HydrophobicContact CG-CZ2 4.47Å; P74-W115 HydrophobicContact CG-CZ3 3.55Å
75Y90.9Very high81.1Confident35 Ų3561.5 Ų61.514%0.13730%0.297CS..BIsolated β-bridgetrans-68.7159.5163.961.7-107.2000111.7R42 R77 N96 E99 G100R42-Y75 CarbonylContact O-C 3.52Å; R42-Y75 WeakPolarHBondContact O-CA 3.42Å; Y75-R77 HydrophobicContact CD2-CB 4.13Å; Y75-R77 VanDerWaalsContact CD2-CZ 3.46Å; Y75-R77 HydrophobicContact CE2-CB 4.01Å; Y75-R77 PolarHBondContact O-N 2.83Å; Y75-R77 PolarHBondContact O-NE 3.29Å; Y75-R77 PolarHBondContact OH-NH1 3.15Å; Y75-N96 WeakPolarHBondContact CD2-ND2 3.15Å; Y75-N96 HydrophobicContact CE2-CB 4.37Å; Y75-N96 WeakPolarHBondContact CE2-ND2 3.21Å; Y75-E99 HydrophobicContact CD1-CB 3.91Å; Y75-E99 HydrophobicContact CD1-CG 3.74Å; Y75-E99 HydrophobicContact CD2-CB 4.11Å; Y75-E99 HydrophobicContact CD2-CG 4.17Å; Y75-E99 HydrophobicContact CE1-CB 3.34Å; Y75-E99 HydrophobicContact CE1-CG 3.72Å; Y75-E99 HydrophobicContact CE2-CB 3.58Å; Y75-E99 HydrophobicContact CE2-CG 4.15Å; Y75-E99 HydrophobicContact CG-CB 4.26Å; Y75-E99 HydrophobicContact CG-CG 3.97Å; Y75-G100 PolarHBondContact OH-O 3.41Å
76M91.6Very high83.1Confident23 Ų2358.2 Ų58.211%0.11328%0.28CS..SBendtrans-62.8118.8179.3-170.360.7159.700110.5G31 Y38 R42 I44 N96G31-M76 VanDerWaalsContact O-CE 3.25Å; G31-M76 WeakPolarHBondContact O-CE 3.33Å; Y38-M76 HydrophobicContact CD2-CG 4.5Å; Y38-M76 HydrophobicContact CE2-CE 4.22Å; Y38-M76 HydrophobicContact CE2-CG 3.63Å; Y38-M76 PolarHBondContact OH-O 2.83Å; R42-M76 HydrophobicContact CB-CB 4.38Å; R42-M76 WeakPolarHBondContact O-CB 3.28Å; R42-M76 PolarHBondContact O-N 3.34Å; I44-M76 HydrophobicContact CG1-SD 4.48Å; M76-N96 WeakPolarHBondContact O-CB 3.41Å; M76-N96 PolarHBondContact O-ND2 2.91Å
77R94.4Very high85.2Confident0 Ų060.4 Ų60.40%029%0.288CS..  trans-149.2164.8-170.669.8-17967.7-107.72.7111.7G31 Y38 I44 Y75 H80 G93 G94 R95G31-R77 PolarHBondContact N-O 3.44Å; Y38-R77 WeakPolarHBondContact OH-CA 3.3Å; Y38-R77 PolarHBondContact OH-N 2.94Å; I44-R77 HydrophobicContact CD1-CG 4.27Å; Y75-R77 HydrophobicContact CD2-CB 4.13Å; Y75-R77 VanDerWaalsContact CD2-CZ 3.46Å; Y75-R77 HydrophobicContact CE2-CB 4.01Å; Y75-R77 PolarHBondContact O-N 2.83Å; Y75-R77 PolarHBondContact O-NE 3.29Å; Y75-R77 PolarHBondContact OH-NH1 3.15Å; R77-H80 HydrophobicContact CG-CB 4.43Å; R77-H80 PolarHBondContact O-CE1 3.31Å; R77-H80 PolarHBondContact O-ND1 3.38Å; R77-G93 WeakPolarHBondContact CD-O 3.38Å; R77-G94 PolarHBondContact NH1-O 3.43Å; R77-R95 WeakPolarHBondContact CA-O 3.23Å; R77-R95 WeakPolarHBondContact CB-O 3.39Å
78Y95.8Very high87.4Confident33 Ų3350 Ų5013%0.12925%0.251CS..EExtended strand (participates in β ladder)trans-129.7164.1174.959.5-98.6000111.3N16 Y32 H80 G94 R95 D97N16-Y78 HydrophobicContact CB-CD2 4.44Å; N16-Y78 CarbonylContact O-C 3.57Å; N16-Y78 WeakPolarHBondContact O-CA 3.41Å; Y32-Y78 AromaticContact CD1-CD1 3.82Å; Y32-Y78 HydrophobicContact CD1-CD1 3.82Å; Y32-Y78 HydrophobicContact CD1-CD2 4.41Å; Y32-Y78 HydrophobicContact CD1-CE1 4.49Å; Y32-Y78 AromaticContact CD1-CG 3.78Å; Y32-Y78 HydrophobicContact CD1-CG 3.78Å; Y32-Y78 HydrophobicContact CE1-CG 4.45Å; Y32-Y78 HydrophobicContact CG-CD1 4.33Å; Y78-H80 PolarHBondContact O-N 2.71Å; Y78-G94 CarbonylContact O-C 3.5Å; Y78-G94 WeakPolarHBondContact O-CA 3.36Å; Y78-R95 WeakPolarHBondContact CD1-O 3.44Å; Y78-R95 HydrophobicContact CD2-CG 4.39Å; Y78-R95 HydrophobicContact CE2-CG 3.74Å; Y78-R95 PolarHBondContact N-O 2.87Å; Y78-R95 PolarHBondContact O-N 2.8Å; Y78-D97 PolarHBondContact OH-OD1 3.08Å
79G97.1Very high89.7Confident8 Ų843.1 Ų43.18%0.08221%0.214CC..EExtended strand (participates in β ladder)trans70.914178.300000114.8N16 D129 G130N16-G79 PolarHBondContact O-N 3.39Å; G79-D129 WeakPolarHBondContact O-CA 3.39Å; G79-D129 WeakPolarHBondContact O-CB 3.35Å; G79-G130 PolarHBondContact O-N 3.4Å
80H98.4Very high92Very high11 Ų1140 Ų405%0.05120%0.199CC..EExtended strand (participates in β ladder)trans-80.3166.6169.958.6-79.6000110.5A18 F29 R77 Y78 I91 W92 G93A18-H80 VanDerWaalsContact CB-CD2 3.43Å; A18-H80 WeakPolarHBondContact CB-CD2 3.41Å; A18-H80 WeakPolarHBondContact CB-NE2 3.03Å; F29-H80 PolarHBondContact O-CE1 3.22Å; F29-H80 VanDerWaalsContact O-CE1 3.27Å; F29-H80 PolarHBondContact O-NE2 2.93Å; R77-H80 HydrophobicContact CG-CB 4.43Å; R77-H80 PolarHBondContact O-CE1 3.31Å; R77-H80 PolarHBondContact O-ND1 3.38Å; Y78-H80 PolarHBondContact O-N 2.71Å; H80-I91 HydrophobicContact CB-CG2 4.26Å; H80-W92 WeakPolarHBondContact CA-O 3.35Å; H80-W92 WeakPolarHBondContact CB-O 3.33Å; H80-G93 WeakPolarHBondContact CB-O 3.23Å
81S98.5Very high94.2Very high11 Ų1134.7 Ų34.78%0.07717%0.167CC..EExtended strand (participates in β ladder)trans-111.9153.3169.665.50000110.7I91 W92 H131 A133 M140S81-I91 WeakPolarHBondContact O-CA 3.32Å; S81-W92 PolarHBondContact N-O 3Å; S81-W92 PolarHBondContact O-N 2.91Å; S81-W92 VanDerWaalsContact O-N 3.07Å; S81-H131 WeakPolarHBondContact CB-NE2 3.5Å; S81-H131 PolarHBondContact OG-NE2 3.39Å; S81-A133 VanDerWaalsContact OG-CB 3.31Å; S81-A133 WeakPolarHBondContact OG-CB 3.17Å; S81-M140 WeakPolarHBondContact OG-CE 3.43Å
82A98.6Very high95.8Very high16 Ų1624.8 Ų24.813%0.13213%0.13CC..EExtended strand (participates in β ladder)trans-133137.217300000109.3A18 V20 F29 I89 Y90 I91A18-A82 HydrophobicContact CB-CB 3.68Å; V20-A82 VanDerWaalsContact CG1-C 3.5Å; V20-A82 HydrophobicContact CG1-CB 3.88Å; V20-A82 WeakPolarHBondContact CG1-O 3.35Å; F29-A82 HydrophobicContact CD2-CB 4.43Å; A82-I89 HydrophobicContact CB-CG2 4.2Å; A82-Y90 CarbonylContact C-O 3.53Å; A82-Y90 VanDerWaalsContact CA-O 3.26Å; A82-Y90 WeakPolarHBondContact CA-O 3.12Å; A82-I91 HydrophobicContact CB-CG1 4.05Å
83V98.8Very high96.6Very high9 Ų921 Ų216%0.05511%0.113CC..EExtended strand (participates in β ladder)trans-136.4143.7176.3-63.40000111.1I85 I89 Y90 A133 V135 M140V83-I85 HydrophobicContact CG2-CD1 4.35Å; V83-I89 CarbonylContact O-C 3.53Å; V83-I89 VanDerWaalsContact O-CA 3.32Å; V83-I89 WeakPolarHBondContact O-CA 3.3Å; V83-Y90 PolarHBondContact N-O 3.29Å; V83-Y90 PolarHBondContact O-N 2.75Å; V83-A133 HydrophobicContact CG1-CB 3.76Å; V83-V135 HydrophobicContact CB-CG2 3.51Å; V83-V135 HydrophobicContact CG1-CG2 3.87Å; V83-V135 HydrophobicContact CG2-CG2 3.99Å; V83-M140 HydrophobicContact CG1-CE 4.3Å; V83-M140 HydrophobicContact CG2-CB 4.1Å; V83-M140 HydrophobicContact CG2-CE 3.97Å; V83-M140 HydrophobicContact CG2-CG 3.78Å; V83-M140 HydrophobicContact CG2-SD 3.68Å
84L98.6Very high97Very high52 Ų5220.5 Ų20.527%0.27211%0.109SC..EExtended strand (participates in β ladder)trans-93.6126.7172179.973.4000109.5A21 V22 D86 I89 V110A21-L84 WeakPolarHBondContact O-CD2 3.13Å; V22-L84 HydrophobicContact CB-CD2 4.46Å; V22-L84 HydrophobicContact CG1-CD1 4.47Å; V22-L84 HydrophobicContact CG1-CD2 4.31Å; V22-L84 HydrophobicContact CG2-CD1 4.01Å; V22-L84 HydrophobicContact CG2-CD2 4.11Å; L84-D86 WeakPolarHBondContact CD1-O 3.33Å; L84-I89 HydrophobicContact CD1-CG1 3.83Å; L84-V110 HydrophobicContact CD1-CG1 4.3Å
85I98.5Very high97.1Very high6 Ų622.9 Ų22.93%0.03112%0.118CC..EExtended strand (participates in β ladder)trans-132.9124168.7-60.9170000107.2V83 D87 T88 Y90 V135 M140 T162V83-I85 HydrophobicContact CG2-CD1 4.35Å; I85-D87 PolarHBondContact O-N 2.98Å; I85-T88 PolarHBondContact N-O 2.98Å; I85-T88 PolarHBondContact O-N 2.93Å; I85-T88 VanDerWaalsContact O-O 3.11Å; I85-Y90 HydrophobicContact CB-CD2 4.23Å; I85-Y90 HydrophobicContact CB-CE2 3.99Å; I85-Y90 HydrophobicContact CD1-CD2 4.26Å; I85-Y90 HydrophobicContact CD1-CE2 4.49Å; I85-Y90 HydrophobicContact CG1-CD2 4.45Å; I85-V135 HydrophobicContact CD1-CG1 4.28Å; I85-V135 HydrophobicContact CD1-CG2 4.21Å; I85-V135 HydrophobicContact CG1-CG1 3.79Å; I85-V135 HydrophobicContact CG1-CG2 3.88Å; I85-M140 HydrophobicContact CD1-CB 4.12Å; I85-T162 HydrophobicContact CD1-CG2 3.57Å
86D96.4Very high97.1Very high99 Ų9921.3 Ų21.353%0.52911%0.112SC..THydrogen-bonded Turntrans51.8-122.8-168.2-57.8-28000110.2L84 K138L84-D86 WeakPolarHBondContact CD1-O 3.33Å; D86-K138 IonicContact OD1-NZ 3.47Å; D86-K138 WeakPolarHBondContact OD2-CE 3.36Å; D86-K138 IonicContact OD2-NZ 2.98Å; D86-K138 PolarHBondContact OD2-NZ 3.02Å
87D96.9Very high96.9Very high89 Ų8926.5 Ų26.548%0.47614%0.141SC..THydrogen-bonded Turntrans-101.815.5178.4-65-42.3000113.3I85 V110I85-D87 PolarHBondContact O-N 2.98Å; D87-V110 HydrophobicContact CB-CG2 4.05Å; D87-V110 VanDerWaalsContact O-CG2 3.27Å; D87-V110 WeakPolarHBondContact O-CG2 3.45Å; D87-V110 PolarHBondContact O-N 3.27Å; D87-V110 VanDerWaalsContact O-N 3.14Å
88T98.6Very high96.6Very high20 Ų2030.5 Ų30.512%0.12317%0.165CC..EExtended strand (participates in β ladder)trans-119.6129.5-176.7-59.70000111.2I85 Y90 A107 F116I85-T88 PolarHBondContact N-O 2.98Å; I85-T88 PolarHBondContact O-N 2.93Å; I85-T88 VanDerWaalsContact O-O 3.11Å; T88-Y90 HydrophobicContact CG2-CD1 4.35Å; T88-Y90 HydrophobicContact CG2-CD2 4.18Å; T88-Y90 HydrophobicContact CG2-CE1 3.9Å; T88-Y90 HydrophobicContact CG2-CE2 3.7Å; T88-Y90 HydrophobicContact CG2-CG 4.48Å; T88-A107 HydrophobicContact CG2-CB 3.7Å; T88-F116 HydrophobicContact CG2-CE1 4.26Å; T88-F116 HydrophobicContact CG2-CZ 3.86Å
89I98.8Very high96.2Very high0 Ų033.8 Ų33.80%018%0.181CC..EExtended strand (participates in β ladder)trans-92.1119170.7-59.6169.8000108.2V20 V22 Y27 F29 A82 V83 L84 I91 A107 F108 V110V20-I89 HydrophobicContact CG2-CB 4.4Å; V20-I89 HydrophobicContact CG2-CD1 3.41Å; V20-I89 VanDerWaalsContact CG2-CD1 3.41Å; V20-I89 HydrophobicContact CG2-CG1 3.7Å; V20-I89 HydrophobicContact CG2-CG2 3.83Å; V22-I89 HydrophobicContact CG2-CD1 4.01Å; V22-I89 HydrophobicContact CG2-CG1 4.45Å; Y27-I89 HydrophobicContact CD1-CD1 4.31Å; Y27-I89 HydrophobicContact CD2-CD1 4.34Å; Y27-I89 HydrophobicContact CG-CD1 3.93Å; F29-I89 HydrophobicContact CE2-CD1 3.98Å; F29-I89 HydrophobicContact CE2-CG2 3.88Å; F29-I89 HydrophobicContact CZ-CD1 3.75Å; F29-I89 HydrophobicContact CZ-CG2 4.07Å; A82-I89 HydrophobicContact CB-CG2 4.2Å; V83-I89 CarbonylContact O-C 3.53Å; V83-I89 VanDerWaalsContact O-CA 3.32Å; V83-I89 WeakPolarHBondContact O-CA 3.3Å; L84-I89 HydrophobicContact CD1-CG1 3.83Å; I89-I91 HydrophobicContact CG2-CG1 4.45Å; I89-A107 CarbonylContact O-C 3.23Å; I89-A107 WeakPolarHBondContact O-CA 3.42Å; I89-F108 HydrophobicContact CB-CB 4.32Å; I89-F108 HydrophobicContact CD1-CD1 4.25Å; I89-F108 PolarHBondContact N-O 3.31Å; I89-F108 PolarHBondContact O-N 2.98Å; I89-V110 HydrophobicContact CD1-CG1 3.64Å; I89-V110 HydrophobicContact CG1-CG1 3.71Å
90Y98.8Very high96Very high16 Ų1634 Ų346%0.06318%0.183CC..EExtended strand (participates in β ladder)trans-96.7134175.1-65.4-82.6000110.4A82 V83 I85 T88 L105 Y106 A107 P118 T162 M165A82-Y90 CarbonylContact C-O 3.53Å; A82-Y90 VanDerWaalsContact CA-O 3.26Å; A82-Y90 WeakPolarHBondContact CA-O 3.12Å; V83-Y90 PolarHBondContact N-O 3.29Å; V83-Y90 PolarHBondContact O-N 2.75Å; I85-Y90 HydrophobicContact CB-CD2 4.23Å; I85-Y90 HydrophobicContact CB-CE2 3.99Å; I85-Y90 HydrophobicContact CD1-CD2 4.26Å; I85-Y90 HydrophobicContact CD1-CE2 4.49Å; I85-Y90 HydrophobicContact CG1-CD2 4.45Å; T88-Y90 HydrophobicContact CG2-CD1 4.35Å; T88-Y90 HydrophobicContact CG2-CD2 4.18Å; T88-Y90 HydrophobicContact CG2-CE1 3.9Å; T88-Y90 HydrophobicContact CG2-CE2 3.7Å; T88-Y90 HydrophobicContact CG2-CG 4.48Å; Y90-L105 HydrophobicContact CD1-CD1 4.07Å; Y90-L105 HydrophobicContact CD1-CD2 4.01Å; Y90-L105 HydrophobicContact CD1-CG 4.18Å; Y90-L105 HydrophobicContact CE1-CD2 4.39Å; Y90-Y106 CarbonylContact C-O 3.58Å; Y90-Y106 WeakPolarHBondContact CA-O 3.24Å; Y90-A107 HydrophobicContact CD1-CB 4.04Å; Y90-A107 HydrophobicContact CE1-CB 4.01Å; Y90-P118 HydrophobicContact CE1-CG 4.24Å; Y90-T162 HydrophobicContact CD2-CG2 4.32Å; Y90-T162 HydrophobicContact CE2-CG2 3.88Å; Y90-M165 HydrophobicContact CE1-CE 3.87Å; Y90-M165 HydrophobicContact CE1-SD 4.48Å; Y90-M165 WeakPolarHBondContact OH-CE 3.02Å
91I98.6Very high95.9Very high1 Ų134 Ų341%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-117.5132176.8-62.5-171.7000109.8F29 H80 S81 A82 I89 Y106 W115F29-I91 HydrophobicContact CB-CD1 3.87Å; F29-I91 HydrophobicContact CD1-CD1 3.79Å; F29-I91 HydrophobicContact CD2-CD1 4.12Å; F29-I91 HydrophobicContact CE1-CD1 4.35Å; F29-I91 HydrophobicContact CG-CD1 3.66Å; H80-I91 HydrophobicContact CB-CG2 4.26Å; S81-I91 WeakPolarHBondContact O-CA 3.32Å; A82-I91 HydrophobicContact CB-CG1 4.05Å; I89-I91 HydrophobicContact CG2-CG1 4.45Å; I91-Y106 PolarHBondContact N-O 2.7Å; I91-Y106 PolarHBondContact O-N 2.93Å; I91-Y106 VanDerWaalsContact O-N 3.09Å; I91-W115 HydrophobicContact CD1-CH2 3.51Å; I91-W115 HydrophobicContact CD1-CZ3 3.84Å; I91-W115 HydrophobicContact CG1-CZ3 4.45Å
92W98.6Very high95.7Very high0 Ų033.9 Ų33.90%019%0.185CC..EExtended strand (participates in β ladder)trans-133.1140.2178.9-174.7-97.2000112H80 S81 N103 L105 V124 P125 H131 M140 W167H80-W92 WeakPolarHBondContact CA-O 3.35Å; H80-W92 WeakPolarHBondContact CB-O 3.33Å; S81-W92 PolarHBondContact N-O 3Å; S81-W92 PolarHBondContact O-N 2.91Å; S81-W92 VanDerWaalsContact O-N 3.07Å; W92-N103 VanDerWaalsContact CH2-C 3.48Å; W92-N103 HydrophobicContact CH2-CB 3.92Å; W92-N103 WeakPolarHBondContact CH2-O 3.42Å; W92-N103 HydrophobicContact CZ2-CB 3.83Å; W92-N103 WeakPolarHBondContact CZ3-O 3.41Å; W92-L105 HydrophobicContact CE3-CB 3.91Å; W92-L105 HydrophobicContact CE3-CD1 4.04Å; W92-L105 HydrophobicContact CZ3-CB 3.91Å; W92-V124 HydrophobicContact CH2-CG1 3.64Å; W92-V124 HydrophobicContact CZ2-CG1 4.4Å; W92-P125 HydrophobicContact CH2-CG 4.28Å; W92-P125 HydrophobicContact CZ2-CB 3.72Å; W92-P125 HydrophobicContact CZ2-CG 3.55Å; W92-P125 WeakPolarHBondContact CZ2-O 3.25Å; W92-H131 AromaticContact CD1-CE1 3.84Å; W92-H131 AromaticContact CD1-NE2 3.53Å; W92-H131 PolarHBondContact O-CE1 2.77Å; W92-H131 PolarHBondContact O-NE2 3.44Å; W92-M140 HydrophobicContact CB-CE 3.77Å; W92-W167 HydrophobicContact CD2-CH2 4.34Å; W92-W167 AromaticContact CD2-CZ2 3.9Å; W92-W167 HydrophobicContact CD2-CZ2 3.9Å; W92-W167 AromaticContact CE3-CZ2 3.68Å; W92-W167 HydrophobicContact CE3-CZ2 3.68Å; W92-W167 HydrophobicContact CH2-CZ2 4.31Å; W92-W167 AromaticContact CZ3-CZ2 3.9Å; W92-W167 HydrophobicContact CZ3-CZ2 3.9Å; W92-W167 AromaticContact CZ3-NE1 3.85Å
93G98.1Very high95.6Very high2 Ų236.6 Ų36.62%0.02120%0.197CC..EExtended strand (participates in β ladder)trans71.7-149.3170.800000115.1R77 H80 C102 R128R77-G93 WeakPolarHBondContact CD-O 3.38Å; H80-G93 WeakPolarHBondContact CB-O 3.23Å; G93-C102 VanDerWaalsContact CA-O 3.3Å; G93-C102 WeakPolarHBondContact CA-O 3.17Å; G93-R128 CarbonylContact C-O 3.47Å; G93-R128 WeakPolarHBondContact CA-O 3.48Å
94G97.7Very high95.5Very high0 Ų038.6 Ų38.60%021%0.209CC..EExtended strand (participates in β ladder)trans77.9167-172.800000112.6R77 Y78 A101 C102 R128R77-G94 PolarHBondContact NH1-O 3.43Å; Y78-G94 CarbonylContact O-C 3.5Å; Y78-G94 WeakPolarHBondContact O-CA 3.36Å; G94-A101 CarbonylContact O-C 3.58Å; G94-A101 WeakPolarHBondContact O-CA 3.47Å; G94-C102 PolarHBondContact O-N 3.28Å; G94-R128 PolarHBondContact N-O 2.91Å
95R95.1Very high95.5Very high49 Ų4936.2 Ų36.219%0.18520%0.197CC..EExtended strand (participates in β ladder)trans-139.3166.1-176.870.9167.194.2102-11.6113.2R77 Y78 G100 A101 D129R77-R95 WeakPolarHBondContact CA-O 3.23Å; R77-R95 WeakPolarHBondContact CB-O 3.39Å; Y78-R95 WeakPolarHBondContact CD1-O 3.44Å; Y78-R95 HydrophobicContact CD2-CG 4.39Å; Y78-R95 HydrophobicContact CE2-CG 3.74Å; Y78-R95 PolarHBondContact N-O 2.87Å; Y78-R95 PolarHBondContact O-N 2.8Å; R95-G100 WeakPolarHBondContact CA-O 3.4Å; R95-G100 WeakPolarHBondContact CB-O 3.49Å; R95-A101 HydrophobicContact CB-CB 4.09Å; R95-D129 HydrophobicContact CG-CB 4.32Å; R95-D129 IonicContact CZ-OD1 3.51Å; R95-D129 IonicContact CZ-OD2 2.94Å; R95-D129 IonicContact NE-OD1 3.91Å; R95-D129 PolarHBondContact NE-OD1 3.08Å; R95-D129 IonicContact NE-OD2 3Å; R95-D129 PolarHBondContact NE-OD2 3.3Å; R95-D129 IonicContact NH1-OD1 2.72Å; R95-D129 IonicContact NH1-OD2 2.57Å; R95-D129 PolarHBondContact NH1-OD2 2.87Å; R95-D129 IonicContact NH2-OD1 3.77Å; R95-D129 PolarHBondContact NH2-OD1 2.99Å; R95-D129 IonicContact NH2-OD2 2.91Å; R95-D129 PolarHBondContact NH2-OD2 2.66Å
96N92.1Very high95.5Very high3 Ų336.7 Ų36.72%0.01620%0.198CC..EExtended strand (participates in β ladder)trans-141179.2154.772.822.3000109.3Y38 T40 Y75 M76 T98 E99 G100Y38-N96 HydrophobicContact CE1-CB 4.13Å; T40-N96 PolarHBondContact O-ND2 2.85Å; Y75-N96 WeakPolarHBondContact CD2-ND2 3.15Å; Y75-N96 HydrophobicContact CE2-CB 4.37Å; Y75-N96 WeakPolarHBondContact CE2-ND2 3.21Å; M76-N96 WeakPolarHBondContact O-CB 3.41Å; M76-N96 PolarHBondContact O-ND2 2.91Å; N96-T98 VanDerWaalsContact C-N 3.33Å; N96-T98 PolarHBondContact O-N 3.5Å; N96-T98 PolarHBondContact OD1-N 2.87Å; N96-E99 WeakPolarHBondContact OD1-CB 3.38Å; N96-E99 PolarHBondContact OD1-N 3.44Å; N96-G100 PolarHBondContact N-O 2.84Å; N96-G100 VanDerWaalsContact N-O 3.16Å; N96-G100 VanDerWaalsContact O-CA 3.29Å; N96-G100 WeakPolarHBondContact O-CA 3.22Å; N96-G100 PolarHBondContact O-N 3.33Å; N96-G100 VanDerWaalsContact O-N 3.14Å
97D87Confident95.6Very high132 Ų13232 Ų3271%0.70617%0.173SC*.THydrogen-bonded Turntrans-79.7-16-171.8-55.5-15000113.2Y78Y78-D97 PolarHBondContact OH-OD1 3.08Å
98T87.8Confident95.6Very high83 Ų8327.9 Ų27.951%0.50915%0.151SC..THydrogen-bonded Turntrans-97.6-47.2-176.5-57.30000112.8T40 L41 N96T40-T98 WeakPolarHBondContact CB-OG1 3.39Å; T40-T98 WeakPolarHBondContact CG2-OG1 3.45Å; T40-T98 WeakPolarHBondContact OG1-CB 3.21Å; T40-T98 PolarHBondContact OG1-OG1 2.92Å; L41-T98 HydrophobicContact CD2-CG2 3.87Å; L41-T98 HydrophobicContact CG-CG2 4.37Å; N96-T98 VanDerWaalsContact C-N 3.33Å; N96-T98 PolarHBondContact O-N 3.5Å; N96-T98 PolarHBondContact OD1-N 2.87Å
99E88.1Confident95.6Very high102 Ų10228.8 Ų28.848%0.47716%0.155SC..THydrogen-bonded Turntrans-97.3-8.2-176.2-64.8-73.5156.700112.3L41 Y75 N96L41-E99 HydrophobicContact CD2-CG 4.23Å; L41-E99 WeakPolarHBondContact CD2-OE1 3.48Å; Y75-E99 HydrophobicContact CD1-CB 3.91Å; Y75-E99 HydrophobicContact CD1-CG 3.74Å; Y75-E99 HydrophobicContact CD2-CB 4.11Å; Y75-E99 HydrophobicContact CD2-CG 4.17Å; Y75-E99 HydrophobicContact CE1-CB 3.34Å; Y75-E99 HydrophobicContact CE1-CG 3.72Å; Y75-E99 HydrophobicContact CE2-CB 3.58Å; Y75-E99 HydrophobicContact CE2-CG 4.15Å; Y75-E99 HydrophobicContact CG-CB 4.26Å; Y75-E99 HydrophobicContact CG-CG 3.97Å; N96-E99 WeakPolarHBondContact OD1-CB 3.38Å; N96-E99 PolarHBondContact OD1-N 3.44Å
100G92.1Very high95.5Very high12 Ų1229.3 Ų29.312%0.12416%0.158CC..EExtended strand (participates in β ladder)trans69.9-157.4-176.900000113.2Y75 R95 N96Y75-G100 PolarHBondContact OH-O 3.41Å; R95-G100 WeakPolarHBondContact CA-O 3.4Å; R95-G100 WeakPolarHBondContact CB-O 3.49Å; N96-G100 PolarHBondContact N-O 2.84Å; N96-G100 VanDerWaalsContact N-O 3.16Å; N96-G100 VanDerWaalsContact O-CA 3.29Å; N96-G100 WeakPolarHBondContact O-CA 3.22Å; N96-G100 PolarHBondContact O-N 3.33Å; N96-G100 VanDerWaalsContact O-N 3.14Å
101A95.5Very high95.3Very high13 Ų1333.9 Ų33.911%0.10718%0.184CC..EExtended strand (participates in β ladder)trans-78.9151.8176.500000111.3G94 R95 A127 Q148G94-A101 CarbonylContact O-C 3.58Å; G94-A101 WeakPolarHBondContact O-CA 3.47Å; R95-A101 HydrophobicContact CB-CB 4.09Å; A101-A127 HydrophobicContact CB-CB 3.97Å; A101-Q148 HydrophobicContact CB-CB 3.92Å
102C95.9Very high95.2Very high7 Ų737.6 Ų37.65%0.04721%0.207CC..  trans-114.4151.8-176.8-173.60000112.6G93 G94 V104 A127 R128G93-C102 VanDerWaalsContact CA-O 3.3Å; G93-C102 WeakPolarHBondContact CA-O 3.17Å; G94-C102 PolarHBondContact O-N 3.28Å; C102-V104 PolarHBondContact SG-N 2.93Å; C102-A127 WeakPolarHBondContact O-CA 3.33Å; C102-R128 PolarHBondContact O-N 3.5Å
103N96.4Very high95Very high73 Ų7341 Ų4139%0.3922%0.222SC..  trans-135.427.4168.264.6-18.9000111.5W92 P125 A127W92-N103 VanDerWaalsContact CH2-C 3.48Å; W92-N103 HydrophobicContact CH2-CB 3.92Å; W92-N103 WeakPolarHBondContact CH2-O 3.42Å; W92-N103 HydrophobicContact CZ2-CB 3.83Å; W92-N103 WeakPolarHBondContact CZ3-O 3.41Å; N103-P125 WeakPolarHBondContact CB-O 3.36Å; N103-A127 HydrophobicContact CB-CB 4.12Å
104V96.8Very high94.8Very high51 Ų5147.6 Ų47.631%0.30925%0.251SS..PPolyproline II helixtrans-92.7129.8172.9-179.90000107.9C102 Y106 T117C102-V104 PolarHBondContact SG-N 2.93Å; V104-Y106 HydrophobicContact CB-CD2 4.27Å; V104-Y106 HydrophobicContact CB-CE2 3.68Å; V104-Y106 HydrophobicContact CG1-CD1 4.47Å; V104-Y106 HydrophobicContact CG1-CD2 4.14Å; V104-Y106 HydrophobicContact CG1-CE1 4.1Å; V104-Y106 HydrophobicContact CG1-CE2 3.73Å; V104-Y106 HydrophobicContact CG1-CG 4.49Å; V104-Y106 WeakPolarHBondContact O-CD2 3.37Å; V104-Y106 PolarHBondContact O-N 3.41Å; V104-T117 HydrophobicContact CG1-CG2 3.64Å
105L98.1Very high94.7Very high2 Ų248.5 Ų48.51%0.0125%0.254CS..PPolyproline II helixtrans-80.2116.2171.4-177.270.4000108.6Y90 W92 T117 P118 V120 L160 M165Y90-L105 HydrophobicContact CD1-CD1 4.07Å; Y90-L105 HydrophobicContact CD1-CD2 4.01Å; Y90-L105 HydrophobicContact CD1-CG 4.18Å; Y90-L105 HydrophobicContact CE1-CD2 4.39Å; W92-L105 HydrophobicContact CE3-CB 3.91Å; W92-L105 HydrophobicContact CE3-CD1 4.04Å; W92-L105 HydrophobicContact CZ3-CB 3.91Å; L105-T117 WeakPolarHBondContact O-CG2 3.41Å; L105-P118 HydrophobicContact CD2-CB 4.22Å; L105-P118 HydrophobicContact CD2-CG 4.14Å; L105-P118 WeakPolarHBondContact O-CD 3.27Å; L105-V120 HydrophobicContact CB-CG1 3.92Å; L105-V120 HydrophobicContact CD2-CG1 3.43Å; L105-V120 VanDerWaalsContact CD2-CG1 3.43Å; L105-V120 HydrophobicContact CG-CG1 4.32Å; L105-L160 HydrophobicContact CD1-CD2 4.03Å; L105-L160 HydrophobicContact CD2-CD2 3.52Å; L105-L160 HydrophobicContact CG-CD2 4.45Å; L105-M165 HydrophobicContact CD2-SD 4.29Å
106Y98.1Very high94.6Very high16 Ų1649.7 Ų49.76%0.06326%0.26CS..EExtended strand (participates in β ladder)trans-103.9148.5170.8-64.8-86.7000110R71 P74 Y90 I91 V104R71-Y106 WeakPolarHBondContact O-CE1 3.37Å; P74-Y106 HydrophobicContact CB-CD1 4.32Å; P74-Y106 HydrophobicContact CB-CD2 3.9Å; P74-Y106 HydrophobicContact CB-CE1 4.33Å; P74-Y106 HydrophobicContact CB-CE2 3.92Å; P74-Y106 HydrophobicContact CB-CG 4.1Å; P74-Y106 HydrophobicContact CG-CD1 3.72Å; P74-Y106 HydrophobicContact CG-CD2 3.76Å; P74-Y106 HydrophobicContact CG-CE1 4.2Å; P74-Y106 HydrophobicContact CG-CE2 4.23Å; P74-Y106 HydrophobicContact CG-CG 3.47Å; P74-Y106 VanDerWaalsContact CG-CG 3.47Å; Y90-Y106 CarbonylContact C-O 3.58Å; Y90-Y106 WeakPolarHBondContact CA-O 3.24Å; I91-Y106 PolarHBondContact N-O 2.7Å; I91-Y106 PolarHBondContact O-N 2.93Å; I91-Y106 VanDerWaalsContact O-N 3.09Å; V104-Y106 HydrophobicContact CB-CD2 4.27Å; V104-Y106 HydrophobicContact CB-CE2 3.68Å; V104-Y106 HydrophobicContact CG1-CD1 4.47Å; V104-Y106 HydrophobicContact CG1-CD2 4.14Å; V104-Y106 HydrophobicContact CG1-CE1 4.1Å; V104-Y106 HydrophobicContact CG1-CE2 3.73Å; V104-Y106 HydrophobicContact CG1-CG 4.49Å; V104-Y106 WeakPolarHBondContact O-CD2 3.37Å; V104-Y106 PolarHBondContact O-N 3.41Å
107A98Very high94.8Very high0 Ų052 Ų520%028%0.275CS..EExtended strand (participates in β ladder)trans-129.8141177.800000110.5T88 I89 Y90 W115 F116 P118T88-A107 HydrophobicContact CG2-CB 3.7Å; I89-A107 CarbonylContact O-C 3.23Å; I89-A107 WeakPolarHBondContact O-CA 3.42Å; Y90-A107 HydrophobicContact CD1-CB 4.04Å; Y90-A107 HydrophobicContact CE1-CB 4.01Å; A107-W115 CarbonylContact O-C 3.46Å; A107-W115 WeakPolarHBondContact O-CA 3.42Å; A107-F116 HydrophobicContact CB-CD1 4.01Å; A107-F116 HydrophobicContact CB-CD2 3.87Å; A107-F116 HydrophobicContact CB-CE1 3.62Å; A107-F116 HydrophobicContact CB-CE2 3.49Å; A107-F116 VanDerWaalsContact CB-CE2 3.49Å; A107-F116 HydrophobicContact CB-CG 4.13Å; A107-F116 HydrophobicContact CB-CZ 3.36Å; A107-F116 PolarHBondContact N-O 3.22Å; A107-F116 PolarHBondContact O-N 3.27Å; A107-P118 HydrophobicContact CB-CG 3.78Å
108F98.2Very high95.2Very high3 Ų346.5 Ų46.51%0.01325%0.247CC..EExtended strand (participates in β ladder)trans-125.2116.7177.7-177.5-95000109.5Y27 F29 V46 L59 I89 H113 W115Y27-F108 AromaticContact CD1-CE1 3.94Å; Y27-F108 HydrophobicContact CD1-CE1 3.94Å; Y27-F108 AromaticContact CE1-CE1 3.79Å; Y27-F108 HydrophobicContact CE1-CE1 3.79Å; F29-F108 HydrophobicContact CE1-CD1 4.34Å; F29-F108 HydrophobicContact CE1-CG 4.23Å; F29-F108 HydrophobicContact CZ-CD1 4.22Å; F29-F108 HydrophobicContact CZ-CG 4.46Å; V46-F108 HydrophobicContact CG1-CZ 4.36Å; V46-F108 HydrophobicContact CG2-CE2 4.32Å; L59-F108 HydrophobicContact CD1-CZ 3.88Å; I89-F108 HydrophobicContact CB-CB 4.32Å; I89-F108 HydrophobicContact CD1-CD1 4.25Å; I89-F108 PolarHBondContact N-O 3.31Å; I89-F108 PolarHBondContact O-N 2.98Å; F108-H113 HydrophobicContact CE1-CB 4.5Å; F108-H113 HydrophobicContact CE2-CB 4.26Å; F108-H113 VanDerWaalsContact CZ-CA 3.48Å; F108-H113 HydrophobicContact CZ-CB 3.69Å; F108-H113 AromaticContact CZ-CG 3.99Å; F108-W115 HydrophobicContact CB-CD2 4.27Å; F108-W115 HydrophobicContact CB-CE3 3.94Å; F108-W115 HydrophobicContact CB-CH2 4.1Å; F108-W115 HydrophobicContact CB-CZ2 4.43Å; F108-W115 HydrophobicContact CB-CZ3 3.85Å; F108-W115 AromaticContact CD2-CD1 3.97Å; F108-W115 AromaticContact CD2-CD2 3.73Å; F108-W115 HydrophobicContact CD2-CD2 3.73Å; F108-W115 AromaticContact CD2-CE2 3.48Å; F108-W115 VanDerWaalsContact CD2-CE2 3.48Å; F108-W115 HydrophobicContact CD2-CE3 4.27Å; F108-W115 HydrophobicContact CD2-CG 4.05Å; F108-W115 HydrophobicContact CD2-CH2 4.35Å; F108-W115 AromaticContact CD2-CZ2 3.84Å; F108-W115 HydrophobicContact CD2-CZ2 3.84Å; F108-W115 AromaticContact CD2-NE1 3.65Å; F108-W115 HydrophobicContact CE2-CZ2 4.5Å; F108-W115 AromaticContact CE2-NE1 3.87Å; F108-W115 HydrophobicContact CG-CD2 4.48Å; F108-W115 HydrophobicContact CG-CZ2 4.4Å
109D97.2Very high95.6Very high39 Ų3952.2 Ų52.221%0.20926%0.264CS..EExtended strand (participates in β ladder)trans-79.5120.5177.8179.1-67.1000109.9N111 T112 H113 K114 F116D109-N111 VanDerWaalsContact C-N 3.29Å; D109-N111 PolarHBondContact O-N 3Å; D109-N111 WeakPolarHBondContact OD1-CA 3.39Å; D109-N111 WeakPolarHBondContact OD1-CB 3.23Å; D109-N111 PolarHBondContact OD1-N 2.84Å; D109-T112 WeakPolarHBondContact CB-OG1 3.26Å; D109-T112 PolarHBondContact OD1-N 2.84Å; D109-T112 PolarHBondContact OD1-OG1 2.86Å; D109-H113 WeakPolarHBondContact O-CA 3.49Å; D109-H113 PolarHBondContact O-N 3.48Å; D109-K114 PolarHBondContact N-O 2.92Å; D109-F116 HydrophobicContact CB-CE1 4.18Å
110V96.9Very high96Very high11 Ų1149.5 Ų49.57%0.06725%0.254CS..THydrogen-bonded Turntrans-76.9-16.2-172.7-54.80000113.6V22 L84 D87 I89 H113V22-V110 HydrophobicContact CG1-CB 4.29Å; V22-V110 HydrophobicContact CG1-CG1 4.25Å; V22-V110 HydrophobicContact CG1-CG2 4.06Å; V22-V110 HydrophobicContact CG2-CG1 4.15Å; L84-V110 HydrophobicContact CD1-CG1 4.3Å; D87-V110 HydrophobicContact CB-CG2 4.05Å; D87-V110 VanDerWaalsContact O-CG2 3.27Å; D87-V110 WeakPolarHBondContact O-CG2 3.45Å; D87-V110 PolarHBondContact O-N 3.27Å; D87-V110 VanDerWaalsContact O-N 3.14Å; I89-V110 HydrophobicContact CD1-CG1 3.64Å; I89-V110 HydrophobicContact CG1-CG1 3.71Å; V110-H113 PolarHBondContact O-CD2 3.16Å; V110-H113 PolarHBondContact O-NE2 3.41Å
111N96.1Very high96.3Very high113 Ų11351.5 Ų51.560%0.60427%0.267SS*.THydrogen-bonded Turntrans-86.6-39.1-178.9-66.3-44.3000111.2D109D109-N111 VanDerWaalsContact C-N 3.29Å; D109-N111 PolarHBondContact O-N 3Å; D109-N111 WeakPolarHBondContact OD1-CA 3.39Å; D109-N111 WeakPolarHBondContact OD1-CB 3.23Å; D109-N111 PolarHBondContact OD1-N 2.84Å
112T94.9Very high96.5Very high79 Ų7953.4 Ų53.449%0.48529%0.287SS..THydrogen-bonded Turntrans-102.8-14.1-176.763.20000113.5D109 K114D109-T112 WeakPolarHBondContact CB-OG1 3.26Å; D109-T112 PolarHBondContact OD1-N 2.84Å; D109-T112 PolarHBondContact OD1-OG1 2.86Å; T112-K114 PolarHBondContact O-N 3.28Å
113H95.1Very high96.6Very high71 Ų7158.6 Ų58.633%0.32931%0.312SS..THydrogen-bonded Turntrans55.336.2-173.1-61166.5000113Y27 L59 F108 D109 V110Y27-H113 PolarHBondContact OH-NE2 3.13Å; L59-H113 HydrophobicContact CD1-CB 4.3Å; F108-H113 HydrophobicContact CE1-CB 4.5Å; F108-H113 HydrophobicContact CE2-CB 4.26Å; F108-H113 VanDerWaalsContact CZ-CA 3.48Å; F108-H113 HydrophobicContact CZ-CB 3.69Å; F108-H113 AromaticContact CZ-CG 3.99Å; D109-H113 WeakPolarHBondContact O-CA 3.49Å; D109-H113 PolarHBondContact O-N 3.48Å; V110-H113 PolarHBondContact O-CD2 3.16Å; V110-H113 PolarHBondContact O-NE2 3.41Å
114K93.6Very high96.6Very high141 Ų14157.8 Ų57.861%0.61331%0.31SS*.EExtended strand (participates in β ladder)trans-106.3141.7178.5-67-175.9179.6-177.80111.2D109 T112D109-K114 PolarHBondContact N-O 2.92Å; T112-K114 PolarHBondContact O-N 3.28Å
115W95.7Very high96.7Very high19 Ų1955.4 Ų55.47%0.07230%0.296CS..EExtended strand (participates in β ladder)trans-85.9150.1169.4-68.895.4000110.9F29 I44 V46 E72 V73 P74 I91 A107 F108F29-W115 AromaticContact CD1-CH2 3.62Å; F29-W115 HydrophobicContact CD1-CH2 3.62Å; F29-W115 AromaticContact CD1-CZ2 3.78Å; F29-W115 HydrophobicContact CD1-CZ2 3.78Å; F29-W115 AromaticContact CE1-CH2 3.71Å; F29-W115 HydrophobicContact CE1-CH2 3.71Å; F29-W115 AromaticContact CE1-CZ2 3.8Å; F29-W115 HydrophobicContact CE1-CZ2 3.8Å; I44-W115 HydrophobicContact CG2-CH2 3.89Å; I44-W115 HydrophobicContact CG2-CZ2 3.57Å; V46-W115 HydrophobicContact CG2-CZ2 3.76Å; E72-W115 WeakPolarHBondContact O-CB 3.42Å; V73-W115 HydrophobicContact CB-CG 4.47Å; V73-W115 HydrophobicContact CG1-CD2 4.49Å; V73-W115 HydrophobicContact CG1-CG 4.26Å; V73-W115 HydrophobicContact CG2-CB 4.13Å; V73-W115 HydrophobicContact CG2-CG 4.13Å; P74-W115 VanDerWaalsContact CD-CE3 3.47Å; P74-W115 HydrophobicContact CG-CE3 3.89Å; P74-W115 HydrophobicContact CG-CH2 3.88Å; P74-W115 HydrophobicContact CG-CZ2 4.47Å; P74-W115 HydrophobicContact CG-CZ3 3.55Å; I91-W115 HydrophobicContact CD1-CH2 3.51Å; I91-W115 HydrophobicContact CD1-CZ3 3.84Å; I91-W115 HydrophobicContact CG1-CZ3 4.45Å; A107-W115 CarbonylContact O-C 3.46Å; A107-W115 WeakPolarHBondContact O-CA 3.42Å; F108-W115 HydrophobicContact CB-CD2 4.27Å; F108-W115 HydrophobicContact CB-CE3 3.94Å; F108-W115 HydrophobicContact CB-CH2 4.1Å; F108-W115 HydrophobicContact CB-CZ2 4.43Å; F108-W115 HydrophobicContact CB-CZ3 3.85Å; F108-W115 AromaticContact CD2-CD1 3.97Å; F108-W115 AromaticContact CD2-CD2 3.73Å; F108-W115 HydrophobicContact CD2-CD2 3.73Å; F108-W115 AromaticContact CD2-CE2 3.48Å; F108-W115 VanDerWaalsContact CD2-CE2 3.48Å; F108-W115 HydrophobicContact CD2-CE3 4.27Å; F108-W115 HydrophobicContact CD2-CG 4.05Å; F108-W115 HydrophobicContact CD2-CH2 4.35Å; F108-W115 AromaticContact CD2-CZ2 3.84Å; F108-W115 HydrophobicContact CD2-CZ2 3.84Å; F108-W115 AromaticContact CD2-NE1 3.65Å; F108-W115 HydrophobicContact CE2-CZ2 4.5Å; F108-W115 AromaticContact CE2-NE1 3.87Å; F108-W115 HydrophobicContact CG-CD2 4.48Å; F108-W115 HydrophobicContact CG-CZ2 4.4Å
116F94.2Very high96.6Very high73 Ų7356.7 Ų56.732%0.3231%0.309SS..EExtended strand (participates in β ladder)trans-154.816216761.1-79.2000109.9T88 A107 D109 P118T88-F116 HydrophobicContact CG2-CE1 4.26Å; T88-F116 HydrophobicContact CG2-CZ 3.86Å; A107-F116 HydrophobicContact CB-CD1 4.01Å; A107-F116 HydrophobicContact CB-CD2 3.87Å; A107-F116 HydrophobicContact CB-CE1 3.62Å; A107-F116 HydrophobicContact CB-CE2 3.49Å; A107-F116 VanDerWaalsContact CB-CE2 3.49Å; A107-F116 HydrophobicContact CB-CG 4.13Å; A107-F116 HydrophobicContact CB-CZ 3.36Å; A107-F116 PolarHBondContact N-O 3.22Å; A107-F116 PolarHBondContact O-N 3.27Å; D109-F116 HydrophobicContact CB-CE1 4.18Å; F116-P118 HydrophobicContact CD2-CG 3.98Å; F116-P118 HydrophobicContact CE2-CG 3.8Å; F116-P118 WeakPolarHBondContact O-CD 3.3Å
117T95.6Very high96.6Very high52 Ų5256.5 Ų56.532%0.31931%0.311SS..  trans-117.197.7-178.2-56.70000109.1R71 V104 L105 K119R71-T117 PolarHBondContact O-OG1 3.06Å; V104-T117 HydrophobicContact CG1-CG2 3.64Å; L105-T117 WeakPolarHBondContact O-CG2 3.41Å; T117-K119 PolarHBondContact O-N 2.82Å
118P95.4Very high96.6Very high17 Ų1756.5 Ų56.511%0.1131%0.311CS..  trans-59.4139.1177.2-20.330.4000111.3Y90 L105 A107 F116 V120 M165Y90-P118 HydrophobicContact CE1-CG 4.24Å; L105-P118 HydrophobicContact CD2-CB 4.22Å; L105-P118 HydrophobicContact CD2-CG 4.14Å; L105-P118 WeakPolarHBondContact O-CD 3.27Å; A107-P118 HydrophobicContact CB-CG 3.78Å; F116-P118 HydrophobicContact CD2-CG 3.98Å; F116-P118 HydrophobicContact CE2-CG 3.8Å; F116-P118 WeakPolarHBondContact O-CD 3.3Å; P118-V120 PolarHBondContact O-N 2.87Å; P118-M165 HydrophobicContact CB-CE 4.14Å; P118-M165 HydrophobicContact CB-CG 4.42Å; P118-M165 HydrophobicContact CB-SD 3.95Å; P118-M165 HydrophobicContact CG-CE 4.36Å
119K95.4Very high96.6Very high202 Ų20256.4 Ų56.488%0.87831%0.31SS*.  trans-72.7115.9168.6-68.7-175.4-179.1179.30108.5T117 M165T117-K119 PolarHBondContact O-N 2.82Å; K119-M165 WeakPolarHBondContact O-CB 3.21Å
120V97.8Very high96.6Very high45 Ų4554.8 Ų54.827%0.27330%0.303SS..  trans-101.9154.1176.4-62.60000111.2L105 P118 V124 L160 M165L105-V120 HydrophobicContact CB-CG1 3.92Å; L105-V120 HydrophobicContact CD2-CG1 3.43Å; L105-V120 VanDerWaalsContact CD2-CG1 3.43Å; L105-V120 HydrophobicContact CG-CG1 4.32Å; P118-V120 PolarHBondContact O-N 2.87Å; V120-V124 HydrophobicContact CG2-CG2 4.18Å; V120-L160 HydrophobicContact CG1-CD1 4.42Å; V120-M165 VanDerWaalsContact CA-O 3.28Å; V120-M165 WeakPolarHBondContact CA-O 3.1Å
121S98.4Very high96.7Very high55 Ų5554.9 Ų54.939%0.38530%0.302SS..EExtended strand (participates in β ladder)trans-136.6178.1178.665.40000111.6M165 W167S121-M165 PolarHBondContact N-O 2.84Å; S121-W167 PolarHBondContact O-N 2.91Å
122G98.3Very high96.8Very high52 Ų5250 Ų5054%0.53628%0.277SS..EExtended strand (participates in β ladder)trans84.5-147.8178.100000113.7V124 W167G122-V124 VanDerWaalsContact C-N 3.29Å; G122-V124 PolarHBondContact O-N 2.93Å; G122-W167 WeakPolarHBondContact CA-O 3.3Å
123M98.1Very high97Very high117 Ų11747.3 Ų47.358%0.57626%0.263SS*.SBendtrans-84.371.3-176.8-65-63.4-68.800110.6H158 W167 L169M123-H158 PolarHBondContact O-ND1 2.83Å; M123-W167 PolarHBondContact N-O 3.5Å; M123-W167 WeakPolarHBondContact O-CB 3.48Å; M123-L169 HydrophobicContact CB-CB 4.1Å; M123-L169 HydrophobicContact CG-CB 4.45Å
124V97.9Very high97.2Very high56 Ų5644.4 Ų44.434%0.33925%0.251SS..PPolyproline II helixtrans-61.1125.4-177.9-174.60000109.9W92 V120 G122W92-V124 HydrophobicContact CH2-CG1 3.64Å; W92-V124 HydrophobicContact CZ2-CG1 4.4Å; V120-V124 HydrophobicContact CG2-CG2 4.18Å; G122-V124 VanDerWaalsContact C-N 3.29Å; G122-V124 PolarHBondContact O-N 2.93Å
125P97.5Very high97.4Very high1 Ų140 Ų401%0.00624%0.236CC..PPolyproline II helixtrans-61.4146.8179-9.415.9000112.4W92 N103 I142 H158 W167W92-P125 HydrophobicContact CH2-CG 4.28Å; W92-P125 HydrophobicContact CZ2-CB 3.72Å; W92-P125 HydrophobicContact CZ2-CG 3.55Å; W92-P125 WeakPolarHBondContact CZ2-O 3.25Å; N103-P125 WeakPolarHBondContact CB-O 3.36Å; P125-I142 HydrophobicContact CB-CD1 3.7Å; P125-I142 HydrophobicContact CG-CD1 3.41Å; P125-I142 VanDerWaalsContact CG-CD1 3.41Å; P125-I142 HydrophobicContact CG-CG1 4.44Å; P125-H158 HydrophobicContact CG-CB 3.77Å; P125-W167 HydrophobicContact CG-CD2 4.01Å; P125-W167 HydrophobicContact CG-CE3 3.86Å; P125-W167 HydrophobicContact CG-CH2 4.39Å; P125-W167 HydrophobicContact CG-CZ3 4.07Å
126G96.4Very high97.5Very high28 Ų2841.5 Ų41.529%0.28925%0.245SC..PPolyproline II helixtrans-61.4157.7171.400000112.9R128G126-R128 VanDerWaalsContact N-NH2 3.18Å; G126-R128 PolarHBondContact O-N 3.39Å; G126-R128 PolarHBondContact O-NE 2.87Å
127A97.8Very high97.6Very high12 Ų1242 Ų4210%0.09926%0.263CS..SBendtrans-62125179.400000111.5A101 C102 N103 E147 Q148A101-A127 HydrophobicContact CB-CB 3.97Å; C102-A127 WeakPolarHBondContact O-CA 3.33Å; N103-A127 HydrophobicContact CB-CB 4.12Å; A127-E147 WeakPolarHBondContact O-CA 3.34Å; A127-Q148 PolarHBondContact O-N 2.77Å
128R98Very high97.7Very high1 Ų144.1 Ų44.10%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-154.4161.7-16768.3-173.669.4-163-9.1114G93 G94 C102 G126 Y146 E147G93-R128 CarbonylContact C-O 3.47Å; G93-R128 WeakPolarHBondContact CA-O 3.48Å; G94-R128 PolarHBondContact N-O 2.91Å; C102-R128 PolarHBondContact O-N 3.5Å; G126-R128 VanDerWaalsContact N-NH2 3.18Å; G126-R128 PolarHBondContact O-N 3.39Å; G126-R128 PolarHBondContact O-NE 2.87Å; R128-Y146 WeakPolarHBondContact CA-O 3.42Å; R128-Y146 VanDerWaalsContact CB-O 3.32Å; R128-Y146 WeakPolarHBondContact CB-O 3.36Å; R128-E147 HydrophobicContact CB-CG 4.24Å; R128-E147 IonicContact CZ-OE1 3.47Å; R128-E147 IonicContact CZ-OE2 3.96Å; R128-E147 IonicContact NH1-OE1 3.99Å; R128-E147 IonicContact NH2-OE1 2.92Å; R128-E147 PolarHBondContact NH2-OE1 2.8Å; R128-E147 IonicContact NH2-OE2 3.06Å; R128-E147 PolarHBondContact NH2-OE2 2.93Å
129D98.1Very high97.9Very high0 Ų043.8 Ų43.80%027%0.265CS..EExtended strand (participates in β ladder)trans-145.2169.7171.574.5-62.7000110.7G79 R95 H131 G145 Y146G79-D129 WeakPolarHBondContact O-CA 3.39Å; G79-D129 WeakPolarHBondContact O-CB 3.35Å; R95-D129 HydrophobicContact CG-CB 4.32Å; R95-D129 IonicContact CZ-OD1 3.51Å; R95-D129 IonicContact CZ-OD2 2.94Å; R95-D129 IonicContact NE-OD1 3.91Å; R95-D129 PolarHBondContact NE-OD1 3.08Å; R95-D129 IonicContact NE-OD2 3Å; R95-D129 PolarHBondContact NE-OD2 3.3Å; R95-D129 IonicContact NH1-OD1 2.72Å; R95-D129 IonicContact NH1-OD2 2.57Å; R95-D129 PolarHBondContact NH1-OD2 2.87Å; R95-D129 IonicContact NH2-OD1 3.77Å; R95-D129 PolarHBondContact NH2-OD1 2.99Å; R95-D129 IonicContact NH2-OD2 2.91Å; R95-D129 PolarHBondContact NH2-OD2 2.66Å; D129-H131 PolarHBondContact O-N 2.91Å; D129-G145 VanDerWaalsContact O-CA 3.31Å; D129-G145 WeakPolarHBondContact O-CA 3.25Å; D129-Y146 PolarHBondContact N-O 2.77Å; D129-Y146 PolarHBondContact O-N 3.39Å
130G98.1Very high98Very high5 Ų534.1 Ų34.15%0.05222%0.223CC..SBendtrans65.49-176.700000113.4G79 D181 F182G79-G130 PolarHBondContact O-N 3.4Å; G130-D181 CarbonylContact O-C 3.59Å; G130-D181 WeakPolarHBondContact O-CA 3.43Å; G130-F182 PolarHBondContact O-N 3Å
131H98.8Very high98.1Very high13 Ų1332.5 Ų32.56%0.0621%0.213CC..  trans-72.1162.8167.466.4-78.9000109.6S81 W92 D129 G144S81-H131 WeakPolarHBondContact CB-NE2 3.5Å; S81-H131 PolarHBondContact OG-NE2 3.39Å; W92-H131 AromaticContact CD1-CE1 3.84Å; W92-H131 AromaticContact CD1-NE2 3.53Å; W92-H131 PolarHBondContact O-CE1 2.77Å; W92-H131 PolarHBondContact O-NE2 3.44Å; D129-H131 PolarHBondContact O-N 2.91Å; H131-G144 VanDerWaalsContact CB-O 3.25Å; H131-G144 WeakPolarHBondContact CB-O 3.25Å
132S98.7Very high98.1Very high10 Ų1029.9 Ų29.97%0.0719%0.194CC..EExtended strand (participates in β ladder)trans-105.1154.8168.762.40000110.3I142 F143 H183 A185S132-I142 VanDerWaalsContact O-CA 3.26Å; S132-I142 WeakPolarHBondContact O-CA 3.41Å; S132-F143 PolarHBondContact N-O 2.69Å; S132-F143 VanDerWaalsContact N-O 3.14Å; S132-F143 PolarHBondContact O-N 3.36Å; S132-H183 WeakPolarHBondContact CB-NE2 3.38Å; S132-H183 PolarHBondContact OG-CD2 3.5Å; S132-H183 PolarHBondContact OG-NE2 2.88Å; S132-A185 WeakPolarHBondContact OG-CB 3.44Å; S132-A185 PolarHBondContact OG-N 3.06Å
133A98.7Very high98.1Very high23 Ų2327.4 Ų27.419%0.1917%0.169CC..EExtended strand (participates in β ladder)trans-131.5145.6170.600000111.2S81 V83 M140 F141 I142S81-A133 VanDerWaalsContact OG-CB 3.31Å; S81-A133 WeakPolarHBondContact OG-CB 3.17Å; V83-A133 HydrophobicContact CG1-CB 3.76Å; A133-M140 HydrophobicContact CB-CE 3.46Å; A133-M140 VanDerWaalsContact CB-CE 3.46Å; A133-M140 HydrophobicContact CB-CG 4.45Å; A133-F141 CarbonylContact C-O 3.56Å; A133-F141 WeakPolarHBondContact CA-O 3.47Å; A133-I142 HydrophobicContact CB-CG2 4.03Å
134C98.3Very high98.1Very high11 Ų1121.9 Ų21.97%0.07414%0.141CC..EExtended strand (participates in β ladder)trans-147.2161.4176.753.50000110.4F141 I187 M192C134-F141 PolarHBondContact N-O 3.32Å; C134-F141 PolarHBondContact O-N 2.9Å; C134-I187 HydrophobicContact CB-CD1 4.04Å; C134-I187 HydrophobicContact CB-CG1 3.96Å; C134-I187 WeakPolarHBondContact SG-CD1 3.37Å; C134-I187 VanDerWaalsContact SG-CG1 3.58Å; C134-M192 WeakPolarHBondContact SG-CE 3.09Å
135V98.4Very high98.1Very high49 Ų4919.2 Ų19.230%0.29713%0.125SC..EExtended strand (participates in β ladder)trans-116.1137.4-173.5177.20000110.3V83 I85 A137 S139V83-V135 HydrophobicContact CB-CG2 3.51Å; V83-V135 HydrophobicContact CG1-CG2 3.87Å; V83-V135 HydrophobicContact CG2-CG2 3.99Å; I85-V135 HydrophobicContact CD1-CG1 4.28Å; I85-V135 HydrophobicContact CD1-CG2 4.21Å; I85-V135 HydrophobicContact CG1-CG1 3.79Å; I85-V135 HydrophobicContact CG1-CG2 3.88Å; V135-A137 WeakPolarHBondContact CG1-O 3.31Å; V135-S139 WeakPolarHBondContact CA-O 3.44Å
136L98.1Very high98.1Very high49 Ų4921.2 Ų21.226%0.25713%0.133SC..EExtended strand (participates in β ladder)trans-137.6118.8164.1178.265.5000108.5K138 S139 F141 I187 T221L136-K138 PolarHBondContact O-N 3.22Å; L136-S139 PolarHBondContact N-O 2.99Å; L136-S139 VanDerWaalsContact N-O 3.08Å; L136-S139 PolarHBondContact O-N 3.22Å; L136-F141 HydrophobicContact CB-CD2 4.47Å; L136-F141 HydrophobicContact CB-CE2 3.96Å; L136-I187 HydrophobicContact CB-CD1 3.81Å; L136-I187 HydrophobicContact CB-CG2 4.41Å; L136-I187 HydrophobicContact CD1-CG2 4.23Å; L136-T221 HydrophobicContact CD2-CG2 4.05Å; L136-T221 VanDerWaalsContact CD2-OG1 3.24Å; L136-T221 WeakPolarHBondContact CD2-OG1 3.06Å
137A96.6Very high98.2Very high85 Ų8521.2 Ų21.270%0.70213%0.126SC*.THydrogen-bonded Turntrans51-130.9-17100000111.5V135 S139V135-A137 WeakPolarHBondContact CG1-O 3.31Å; A137-S139 PolarHBondContact O-N 3.24Å
138K97.5Very high97.9Very high95 Ų9524.7 Ų24.741%0.41314%0.14SC..THydrogen-bonded Turntrans-90.940.2178-63.2-163.7174.2-141.60112.6D86 L136 T162D86-K138 IonicContact OD1-NZ 3.47Å; D86-K138 WeakPolarHBondContact OD2-CE 3.36Å; D86-K138 IonicContact OD2-NZ 2.98Å; D86-K138 PolarHBondContact OD2-NZ 3.02Å; L136-K138 PolarHBondContact O-N 3.22Å; K138-T162 PolarHBondContact O-N 2.73Å; K138-T162 PolarHBondContact O-OG1 3.16Å; K138-T162 VanDerWaalsContact O-OG1 3.06Å
139S98.5Very high97.6Very high10 Ų1032.5 Ų32.57%0.0718%0.181CC..EExtended strand (participates in β ladder)trans-139134.1-178.7-61.10000112.3V135 L136 A137 K159 L160V135-S139 WeakPolarHBondContact CA-O 3.44Å; L136-S139 PolarHBondContact N-O 2.99Å; L136-S139 VanDerWaalsContact N-O 3.08Å; L136-S139 PolarHBondContact O-N 3.22Å; A137-S139 PolarHBondContact O-N 3.24Å; S139-K159 VanDerWaalsContact CB-CE 3.45Å; S139-K159 WeakPolarHBondContact OG-CE 3.23Å; S139-L160 CarbonylContact C-O 3.45Å; S139-L160 WeakPolarHBondContact CA-O 3.34Å; S139-L160 WeakPolarHBondContact CB-O 3.44Å
140M98.8Very high97.4Very high0 Ų034.9 Ų34.90%020%0.201CC..EExtended strand (participates in β ladder)trans-95.1127.2169.3175.5-176.7-166.800108.4S81 V83 I85 W92 A133 I142 K159 L160 W167S81-M140 WeakPolarHBondContact OG-CE 3.43Å; V83-M140 HydrophobicContact CG1-CE 4.3Å; V83-M140 HydrophobicContact CG2-CB 4.1Å; V83-M140 HydrophobicContact CG2-CE 3.97Å; V83-M140 HydrophobicContact CG2-CG 3.78Å; V83-M140 HydrophobicContact CG2-SD 3.68Å; I85-M140 HydrophobicContact CD1-CB 4.12Å; W92-M140 HydrophobicContact CB-CE 3.77Å; A133-M140 HydrophobicContact CB-CE 3.46Å; A133-M140 VanDerWaalsContact CB-CE 3.46Å; A133-M140 HydrophobicContact CB-CG 4.45Å; M140-I142 HydrophobicContact CE-CG2 3.79Å; M140-I142 HydrophobicContact CG-CG2 4.31Å; M140-I142 HydrophobicContact SD-CG2 4.45Å; M140-K159 CarbonylContact O-C 3.58Å; M140-K159 WeakPolarHBondContact O-CA 3.33Å; M140-L160 HydrophobicContact CB-CB 4.27Å; M140-L160 PolarHBondContact N-O 2.92Å; M140-L160 PolarHBondContact O-N 3.44Å; M140-W167 HydrophobicContact SD-CH2 4.23Å
141F98.8Very high97.3Very high10 Ų1038.8 Ų38.84%0.04422%0.22CC..EExtended strand (participates in β ladder)trans-106.2130.1170-67-103.2000108.5A133 C134 L136 I157 H158 K159 I187 M192 T221A133-F141 CarbonylContact C-O 3.56Å; A133-F141 WeakPolarHBondContact CA-O 3.47Å; C134-F141 PolarHBondContact N-O 3.32Å; C134-F141 PolarHBondContact O-N 2.9Å; L136-F141 HydrophobicContact CB-CD2 4.47Å; L136-F141 HydrophobicContact CB-CE2 3.96Å; F141-I157 HydrophobicContact CD1-CG2 4.04Å; F141-H158 CarbonylContact C-O 3.57Å; F141-H158 WeakPolarHBondContact CA-O 3.32Å; F141-K159 HydrophobicContact CD1-CB 4.08Å; F141-K159 HydrophobicContact CD1-CG 4.23Å; F141-K159 HydrophobicContact CE1-CB 3.98Å; F141-K159 HydrophobicContact CE1-CD 3.89Å; F141-K159 HydrophobicContact CE1-CG 3.85Å; F141-K159 HydrophobicContact CE2-CD 4.42Å; F141-K159 HydrophobicContact CE2-CG 4.22Å; F141-K159 HydrophobicContact CZ-CB 4.49Å; F141-K159 HydrophobicContact CZ-CD 3.71Å; F141-K159 HydrophobicContact CZ-CG 3.84Å; F141-I187 HydrophobicContact CD2-CD1 4.18Å; F141-M192 HydrophobicContact CB-CE 3.49Å; F141-M192 VanDerWaalsContact CB-CE 3.49Å; F141-M192 HydrophobicContact CD1-CE 4.22Å; F141-M192 HydrophobicContact CG-CE 4.04Å; F141-T221 HydrophobicContact CE1-CG2 4.38Å; F141-T221 HydrophobicContact CZ-CG2 4.34Å
142I98.8Very high97.2Very high0 Ų039 Ų390%022%0.223CC..EExtended strand (participates in β ladder)trans-110.7142.916866.1171.5000109.7P125 S132 A133 M140 I157 H158 W167P125-I142 HydrophobicContact CB-CD1 3.7Å; P125-I142 HydrophobicContact CG-CD1 3.41Å; P125-I142 VanDerWaalsContact CG-CD1 3.41Å; P125-I142 HydrophobicContact CG-CG1 4.44Å; S132-I142 VanDerWaalsContact O-CA 3.26Å; S132-I142 WeakPolarHBondContact O-CA 3.41Å; A133-I142 HydrophobicContact CB-CG2 4.03Å; M140-I142 HydrophobicContact CE-CG2 3.79Å; M140-I142 HydrophobicContact CG-CG2 4.31Å; M140-I142 HydrophobicContact SD-CG2 4.45Å; I142-I157 WeakPolarHBondContact O-CA 3.44Å; I142-H158 HydrophobicContact CD1-CB 4.06Å; I142-H158 HydrophobicContact CG1-CB 3.69Å; I142-H158 PolarHBondContact N-O 3.44Å; I142-H158 PolarHBondContact O-N 3.28Å; I142-W167 HydrophobicContact CD1-CH2 4.26Å; I142-W167 HydrophobicContact CD1-CZ3 4.15Å; I142-W167 HydrophobicContact CG1-CH2 4.44Å; I142-W167 HydrophobicContact CG1-CZ3 4.05Å; I142-W167 HydrophobicContact CG2-CH2 4.14Å; I142-W167 HydrophobicContact CG2-CZ3 4.42Å
143F98.8Very high97.1Very high1 Ų138.7 Ų38.70%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-132.7134.8176.9174.8-106.7000111.2S132 N155 D156 I157 A177 R180 H183 M192 V194 W226S132-F143 PolarHBondContact N-O 2.69Å; S132-F143 VanDerWaalsContact N-O 3.14Å; S132-F143 PolarHBondContact O-N 3.36Å; F143-N155 HydrophobicContact CE2-CB 4.09Å; F143-N155 WeakPolarHBondContact CE2-O 3.27Å; F143-N155 HydrophobicContact CZ-CB 4.18Å; F143-D156 WeakPolarHBondContact CA-O 3.4Å; F143-D156 WeakPolarHBondContact CD2-O 3.31Å; F143-I157 HydrophobicContact CD2-CG1 3.62Å; F143-I157 HydrophobicContact CE2-CG1 4.34Å; F143-A177 HydrophobicContact CE1-CB 4.03Å; F143-A177 HydrophobicContact CE2-CB 4.35Å; F143-A177 HydrophobicContact CZ-CB 3.5Å; F143-A177 VanDerWaalsContact CZ-CB 3.5Å; F143-R180 HydrophobicContact CE1-CG 4.22Å; F143-H183 AromaticContact CD1-CD2 3.83Å; F143-H183 AromaticContact CD1-CE1 3.92Å; F143-H183 AromaticContact CD1-NE2 3.2Å; F143-H183 WeakPolarHBondContact CD1-NE2 3.5Å; F143-H183 AromaticContact CE1-NE2 3.81Å; F143-H183 PolarHBondContact O-CE1 2.79Å; F143-H183 PolarHBondContact O-NE2 3.4Å; F143-H183 VanDerWaalsContact O-NE2 3.17Å; F143-M192 HydrophobicContact CB-SD 4.26Å; F143-V194 HydrophobicContact CD1-CG1 4Å; F143-V194 HydrophobicContact CD1-CG2 3.74Å; F143-V194 HydrophobicContact CE1-CB 4.41Å; F143-V194 HydrophobicContact CE1-CG1 3.62Å; F143-V194 HydrophobicContact CE1-CG2 3.98Å; F143-V194 HydrophobicContact CG-CG2 4.43Å; F143-W226 HydrophobicContact CD2-CH2 4.33Å; F143-W226 HydrophobicContact CD2-CZ2 4.07Å; F143-W226 AromaticContact CE2-CH2 3.85Å; F143-W226 HydrophobicContact CE2-CH2 3.85Å; F143-W226 AromaticContact CE2-CZ2 3.54Å; F143-W226 HydrophobicContact CE2-CZ2 3.54Å; F143-W226 HydrophobicContact CZ-CH2 4.03Å; F143-W226 HydrophobicContact CZ-CZ2 4.11Å
144G98.3Very high97Very high0 Ų037.8 Ų37.80%021%0.213CC..  trans60.1-141.317400000114.9H131 S154 D156H131-G144 VanDerWaalsContact CB-O 3.25Å; H131-G144 WeakPolarHBondContact CB-O 3.25Å; G144-S154 WeakPolarHBondContact CA-O 3.35Å; G144-D156 PolarHBondContact N-O 3.4Å; G144-D156 VanDerWaalsContact N-O 3.14Å
145G98.1Very high97Very high0 Ų038.2 Ų38.20%021%0.214CC..  trans97.4-179.8-171.700000112.6D129 F153 S154 R180D129-G145 VanDerWaalsContact O-CA 3.31Å; D129-G145 WeakPolarHBondContact O-CA 3.25Å; G145-F153 WeakPolarHBondContact O-CA 3.4Å; G145-S154 PolarHBondContact O-N 3.13Å; G145-R180 PolarHBondContact N-O 2.83Å
146Y97.7Very high96.9Very high43 Ų4338.7 Ų38.717%0.16922%0.215CC..EExtended strand (participates in β ladder)trans-106.1124.7173.1174.2-94.6000109.3R128 D129 D151 C152 F153R128-Y146 WeakPolarHBondContact CA-O 3.42Å; R128-Y146 VanDerWaalsContact CB-O 3.32Å; R128-Y146 WeakPolarHBondContact CB-O 3.36Å; D129-Y146 PolarHBondContact N-O 2.77Å; D129-Y146 PolarHBondContact O-N 3.39Å; Y146-D151 PolarHBondContact OH-OD1 2.83Å; Y146-C152 WeakPolarHBondContact CA-O 3.16Å; Y146-F153 HydrophobicContact CD2-CD1 4.11Å; Y146-F153 HydrophobicContact CD2-CE1 4.06Å
147E96.8Very high97Very high29 Ų2936.5 Ų36.514%0.13620%0.204CC..EExtended strand (participates in β ladder)trans-96.1111.2-179-61.3-162.1-142.900109.6A127 R128 L149 A150 D151 C152 S154A127-E147 WeakPolarHBondContact O-CA 3.34Å; R128-E147 HydrophobicContact CB-CG 4.24Å; R128-E147 IonicContact CZ-OE1 3.47Å; R128-E147 IonicContact CZ-OE2 3.96Å; R128-E147 IonicContact NH1-OE1 3.99Å; R128-E147 IonicContact NH2-OE1 2.92Å; R128-E147 PolarHBondContact NH2-OE1 2.8Å; R128-E147 IonicContact NH2-OE2 3.06Å; R128-E147 PolarHBondContact NH2-OE2 2.93Å; E147-L149 PolarHBondContact O-N 3.13Å; E147-A150 HydrophobicContact CB-CB 4.4Å; E147-A150 PolarHBondContact O-N 3.41Å; E147-D151 PolarHBondContact O-N 3.01Å; E147-C152 PolarHBondContact N-O 2.81Å; E147-C152 PolarHBondContact O-N 2.99Å; E147-S154 WeakPolarHBondContact OE1-CB 3.44Å; E147-S154 PolarHBondContact OE1-OG 3.02Å; E147-S154 VanDerWaalsContact OE1-OG 3.11Å
148Q91.7Very high97.1Very high85 Ų8533 Ų3340%0.39717%0.173SC..THydrogen-bonded Turntrans-64.7-43.5-168.5-178.6-179.1-7.300112.9A101 A127 A150 D151A101-Q148 HydrophobicContact CB-CB 3.92Å; A127-Q148 PolarHBondContact O-N 2.77Å; Q148-A150 VanDerWaalsContact C-N 3.3Å; Q148-A150 PolarHBondContact O-N 2.95Å; Q148-D151 PolarHBondContact O-N 2.87Å
149L92.9Very high97.1Very high165 Ų16531.5 Ų31.586%0.86417%0.166SC*.THydrogen-bonded Turntrans-68.2-31.7-176.4-68.4177000112.8E147E147-L149 PolarHBondContact O-N 3.13Å
150A93.8Very high97.1Very high50 Ų5031 Ų3141%0.41316%0.163SC..THydrogen-bonded Turntrans-91.6-6.2178.400000112.8E147 Q148 C152 F205E147-A150 HydrophobicContact CB-CB 4.4Å; E147-A150 PolarHBondContact O-N 3.41Å; Q148-A150 VanDerWaalsContact C-N 3.3Å; Q148-A150 PolarHBondContact O-N 2.95Å; A150-C152 VanDerWaalsContact CB-SG 3.59Å; A150-C152 PolarHBondContact O-N 2.83Å; A150-F205 WeakPolarHBondContact O-CE1 3.03Å
151D94.6Very high97.1Very high86 Ų8633.4 Ų33.446%0.4618%0.175SC..THydrogen-bonded Turntrans47.945.7-175.3-171.819.1000112.8Y146 E147 Q148 F205Y146-D151 PolarHBondContact OH-OD1 2.83Å; E147-D151 PolarHBondContact O-N 3.01Å; Q148-D151 PolarHBondContact O-N 2.87Å; D151-F205 WeakPolarHBondContact O-CD1 3.44Å
152C96.8Very high97.1Very high18 Ų1833.6 Ų33.612%0.12218%0.178CC..EExtended strand (participates in β ladder)trans-143154.3-173.376.40000113.2Y146 E147 A150 P204 F205Y146-C152 WeakPolarHBondContact CA-O 3.16Å; E147-C152 PolarHBondContact N-O 2.81Å; E147-C152 PolarHBondContact O-N 2.99Å; A150-C152 VanDerWaalsContact CB-SG 3.59Å; A150-C152 PolarHBondContact O-N 2.83Å; C152-P204 HydrophobicContact CB-CB 4.21Å; C152-F205 HydrophobicContact CB-CD1 3.85Å; C152-F205 HydrophobicContact CB-CE1 3.84Å
153F97.6Very high97.1Very high3 Ų338.8 Ų38.81%0.01321%0.209CC..EExtended strand (participates in β ladder)trans-76.9136.9166.2-59.2-68.1000109.5G145 Y146 W179 D181 D200 P204 H206G145-F153 WeakPolarHBondContact O-CA 3.4Å; Y146-F153 HydrophobicContact CD2-CD1 4.11Å; Y146-F153 HydrophobicContact CD2-CE1 4.06Å; F153-W179 HydrophobicContact CB-CB 3.62Å; F153-W179 WeakPolarHBondContact O-CB 3.36Å; F153-D181 HydrophobicContact CD1-CB 4.14Å; F153-D181 HydrophobicContact CE1-CB 4.26Å; F153-D200 HydrophobicContact CD2-CB 4.13Å; F153-D200 HydrophobicContact CE2-CB 3.94Å; F153-P204 VanDerWaalsContact CD2-O 3.28Å; F153-P204 WeakPolarHBondContact CD2-O 3.31Å; F153-P204 PolarHBondContact N-O 2.86Å; F153-P204 WeakPolarHBondContact O-CB 3.27Å; F153-H206 HydrophobicContact CE2-CB 4.44Å
154S97.4Very high97Very high5 Ų541.8 Ų41.84%0.03523%0.23CC..  trans-97.9152.9175.4-175.30000111.2G144 G145 E147 D156 W179 R180G144-S154 WeakPolarHBondContact CA-O 3.35Å; G145-S154 PolarHBondContact O-N 3.13Å; E147-S154 WeakPolarHBondContact OE1-CB 3.44Å; E147-S154 PolarHBondContact OE1-OG 3.02Å; E147-S154 VanDerWaalsContact OE1-OG 3.11Å; S154-D156 WeakPolarHBondContact OG-CB 3.45Å; S154-D156 PolarHBondContact OG-N 2.98Å; S154-D156 PolarHBondContact OG-OD2 2.83Å; S154-W179 VanDerWaalsContact O-CA 3.32Å; S154-W179 WeakPolarHBondContact O-CA 3.42Å; S154-R180 PolarHBondContact O-N 2.83Å; S154-R180 VanDerWaalsContact O-N 3.14Å
155N97Very high97Very high19 Ų1943.5 Ų43.510%0.10224%0.239CC..  trans-125.920.3161.170-13.3000111.7F143 A177 W179F143-N155 HydrophobicContact CE2-CB 4.09Å; F143-N155 WeakPolarHBondContact CE2-O 3.27Å; F143-N155 HydrophobicContact CZ-CB 4.18Å; N155-A177 VanDerWaalsContact CB-O 3.23Å; N155-A177 WeakPolarHBondContact CB-O 3.37Å; N155-A177 PolarHBondContact ND2-O 2.68Å; N155-W179 HydrophobicContact CB-CD2 4.44Å; N155-W179 HydrophobicContact CB-CE3 3.85Å; N155-W179 HydrophobicContact CB-CZ3 4.49Å; N155-W179 WeakPolarHBondContact ND2-CZ3 3.24Å; N155-W179 WeakPolarHBondContact OD1-CZ3 3.37Å
156D97.4Very high97.1Very high59 Ų5947.6 Ų47.632%0.31626%0.259SS..  trans-72.3147.6179.4-67.4-33.2000110.5F143 G144 S154 L169F143-D156 WeakPolarHBondContact CA-O 3.4Å; F143-D156 WeakPolarHBondContact CD2-O 3.31Å; G144-D156 PolarHBondContact N-O 3.4Å; G144-D156 VanDerWaalsContact N-O 3.14Å; S154-D156 WeakPolarHBondContact OG-CB 3.45Å; S154-D156 PolarHBondContact OG-N 2.98Å; S154-D156 PolarHBondContact OG-OD2 2.83Å; D156-L169 HydrophobicContact CB-CD1 3.85Å
157I98.7Very high97.1Very high4 Ų445.7 Ų45.72%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-106.1115.9166.1-58.5169.3000107F141 I142 F143 I170 Y219 W226F141-I157 HydrophobicContact CD1-CG2 4.04Å; I142-I157 WeakPolarHBondContact O-CA 3.44Å; F143-I157 HydrophobicContact CD2-CG1 3.62Å; F143-I157 HydrophobicContact CE2-CG1 4.34Å; I157-I170 HydrophobicContact CB-CB 4.14Å; I157-I170 HydrophobicContact CB-CG1 4.39Å; I157-I170 HydrophobicContact CG2-CB 4.18Å; I157-I170 HydrophobicContact CG2-CG1 3.91Å; I157-I170 WeakPolarHBondContact O-CB 3.41Å; I157-I170 PolarHBondContact O-N 3.08Å; I157-Y219 HydrophobicContact CD1-CD1 3.84Å; I157-Y219 HydrophobicContact CD1-CD2 3.48Å; I157-Y219 VanDerWaalsContact CD1-CD2 3.48Å; I157-Y219 HydrophobicContact CD1-CE1 3.97Å; I157-Y219 HydrophobicContact CD1-CE2 3.62Å; I157-Y219 HydrophobicContact CD1-CG 3.59Å; I157-W226 HydrophobicContact CD1-CZ2 3.72Å; I157-W226 HydrophobicContact CG1-CZ2 4.25Å
158H98.8Very high97.2Very high11 Ų1147.5 Ų47.55%0.05127%0.265CS..EExtended strand (participates in β ladder)trans-106.5141.8166.5-65.5-107.1000110.1M123 P125 F141 I142 W167 T168M123-H158 PolarHBondContact O-ND1 2.83Å; P125-H158 HydrophobicContact CG-CB 3.77Å; F141-H158 CarbonylContact C-O 3.57Å; F141-H158 WeakPolarHBondContact CA-O 3.32Å; I142-H158 HydrophobicContact CD1-CB 4.06Å; I142-H158 HydrophobicContact CG1-CB 3.69Å; I142-H158 PolarHBondContact N-O 3.44Å; I142-H158 PolarHBondContact O-N 3.28Å; H158-W167 HydrophobicContact CB-CE3 3.81Å; H158-W167 HydrophobicContact CB-CZ3 3.97Å; H158-T168 WeakPolarHBondContact CA-O 3.29Å
159K98.8Very high97.5Very high64 Ų6446.6 Ų46.628%0.27826%0.262SS..EExtended strand (participates in β ladder)trans-116.7124.6175.6-179.6-169.9173.3-170.20109.2S139 M140 F141 W167 T168 I170S139-K159 VanDerWaalsContact CB-CE 3.45Å; S139-K159 WeakPolarHBondContact OG-CE 3.23Å; M140-K159 CarbonylContact O-C 3.58Å; M140-K159 WeakPolarHBondContact O-CA 3.33Å; F141-K159 HydrophobicContact CD1-CB 4.08Å; F141-K159 HydrophobicContact CD1-CG 4.23Å; F141-K159 HydrophobicContact CE1-CB 3.98Å; F141-K159 HydrophobicContact CE1-CD 3.89Å; F141-K159 HydrophobicContact CE1-CG 3.85Å; F141-K159 HydrophobicContact CE2-CD 4.42Å; F141-K159 HydrophobicContact CE2-CG 4.22Å; F141-K159 HydrophobicContact CZ-CB 4.49Å; F141-K159 HydrophobicContact CZ-CD 3.71Å; F141-K159 HydrophobicContact CZ-CG 3.84Å; K159-W167 CarbonylContact O-C 3.49Å; K159-W167 WeakPolarHBondContact O-CA 3.34Å; K159-T168 PolarHBondContact N-O 3.23Å; K159-T168 PolarHBondContact O-N 2.8Å; K159-I170 HydrophobicContact CB-CD1 3.93Å; K159-I170 HydrophobicContact CB-CG1 4.17Å; K159-I170 HydrophobicContact CD-CD1 4.45Å
160L98.9Very high97.8Very high0 Ų040 Ų400%023%0.228CC..EExtended strand (participates in β ladder)trans-96.5120.4164.9175.664.5000108.7L105 V120 S139 M140 T162 W167L105-L160 HydrophobicContact CD1-CD2 4.03Å; L105-L160 HydrophobicContact CD2-CD2 3.52Å; L105-L160 HydrophobicContact CG-CD2 4.45Å; V120-L160 HydrophobicContact CG1-CD1 4.42Å; S139-L160 CarbonylContact C-O 3.45Å; S139-L160 WeakPolarHBondContact CA-O 3.34Å; S139-L160 WeakPolarHBondContact CB-O 3.44Å; M140-L160 HydrophobicContact CB-CB 4.27Å; M140-L160 PolarHBondContact N-O 2.92Å; M140-L160 PolarHBondContact O-N 3.44Å; L160-T162 HydrophobicContact CD2-CG2 4.24Å; L160-T162 HydrophobicContact CG-CG2 4.31Å; L160-W167 HydrophobicContact CB-CD2 3.71Å; L160-W167 HydrophobicContact CB-CE3 3.6Å; L160-W167 HydrophobicContact CB-CH2 3.61Å; L160-W167 HydrophobicContact CB-CZ2 3.71Å; L160-W167 HydrophobicContact CB-CZ3 3.55Å; L160-W167 HydrophobicContact CD1-CD2 4.07Å; L160-W167 HydrophobicContact CD1-CG 4.13Å; L160-W167 HydrophobicContact CD1-CZ2 4.45Å; L160-W167 HydrophobicContact CD2-CH2 4.34Å; L160-W167 HydrophobicContact CD2-CZ2 3.83Å; L160-W167 HydrophobicContact CG-CD2 4.4Å; L160-W167 HydrophobicContact CG-CZ2 4.21Å
161D98.5Very high97.9Very high49 Ų4943 Ų4326%0.26225%0.246SC..EExtended strand (participates in β ladder)trans-84.1116.5164.1-178.3-61.5000108.7T163 S164 M165 M166D161-T163 VanDerWaalsContact C-N 3.26Å; D161-T163 PolarHBondContact O-N 2.99Å; D161-T163 WeakPolarHBondContact OD1-CA 3.36Å; D161-T163 WeakPolarHBondContact OD1-CB 3.5Å; D161-T163 PolarHBondContact OD1-N 3.33Å; D161-S164 WeakPolarHBondContact CB-OG 3.21Å; D161-S164 PolarHBondContact OD1-N 3.47Å; D161-S164 PolarHBondContact OD1-OG 2.89Å; D161-M165 VanDerWaalsContact O-CA 3.22Å; D161-M165 WeakPolarHBondContact O-CA 3.43Å; D161-M165 PolarHBondContact O-N 3.2Å; D161-M166 PolarHBondContact N-O 3.19Å; D161-M166 VanDerWaalsContact N-O 3.08Å; D161-M166 PolarHBondContact O-N 2.89Å
162T98.2Very high98Very high15 Ų1540.6 Ų40.69%0.09224%0.238CC..THydrogen-bonded Turntrans-80.7-5.8-175.859.50000113.7I85 Y90 K138 L160 M165I85-T162 HydrophobicContact CD1-CG2 3.57Å; Y90-T162 HydrophobicContact CD2-CG2 4.32Å; Y90-T162 HydrophobicContact CE2-CG2 3.88Å; K138-T162 PolarHBondContact O-N 2.73Å; K138-T162 PolarHBondContact O-OG1 3.16Å; K138-T162 VanDerWaalsContact O-OG1 3.06Å; L160-T162 HydrophobicContact CD2-CG2 4.24Å; L160-T162 HydrophobicContact CG-CG2 4.31Å; T162-M165 WeakPolarHBondContact O-CE 3.36Å
163T97.8Very high98Very high108 Ų10846.9 Ų46.966%0.66326%0.263SS*.THydrogen-bonded Turntrans-80.5-40.9172.7-48.80000110.3D161D161-T163 VanDerWaalsContact C-N 3.26Å; D161-T163 PolarHBondContact O-N 2.99Å; D161-T163 WeakPolarHBondContact OD1-CA 3.36Å; D161-T163 WeakPolarHBondContact OD1-CB 3.5Å; D161-T163 PolarHBondContact OD1-N 3.33Å
164S98.1Very high98Very high64 Ų6449.4 Ų49.445%0.44829%0.29SS..THydrogen-bonded Turntrans-99-12.3179.8590000114.4D161 M166D161-S164 WeakPolarHBondContact CB-OG 3.21Å; D161-S164 PolarHBondContact OD1-N 3.47Å; D161-S164 PolarHBondContact OD1-OG 2.89Å; S164-M166 PolarHBondContact O-N 2.88Å
165M98.3Very high97.9Very high36 Ų3653.5 Ų53.518%0.17732%0.315CS..THydrogen-bonded Turntrans53.835.5-170-63.9-65.6176.400113Y90 L105 P118 K119 V120 S121 D161 T162Y90-M165 HydrophobicContact CE1-CE 3.87Å; Y90-M165 HydrophobicContact CE1-SD 4.48Å; Y90-M165 WeakPolarHBondContact OH-CE 3.02Å; L105-M165 HydrophobicContact CD2-SD 4.29Å; P118-M165 HydrophobicContact CB-CE 4.14Å; P118-M165 HydrophobicContact CB-CG 4.42Å; P118-M165 HydrophobicContact CB-SD 3.95Å; P118-M165 HydrophobicContact CG-CE 4.36Å; K119-M165 WeakPolarHBondContact O-CB 3.21Å; V120-M165 VanDerWaalsContact CA-O 3.28Å; V120-M165 WeakPolarHBondContact CA-O 3.1Å; S121-M165 PolarHBondContact N-O 2.84Å; D161-M165 VanDerWaalsContact O-CA 3.22Å; D161-M165 WeakPolarHBondContact O-CA 3.43Å; D161-M165 PolarHBondContact O-N 3.2Å; T162-M165 WeakPolarHBondContact O-CE 3.36Å
166M98.7Very high97.9Very high87 Ų8755.1 Ų55.143%0.42933%0.327SS..EExtended strand (participates in β ladder)trans-107125.9-179.4-169.3-176.5-63.700110.9D161 S164D161-M166 PolarHBondContact N-O 3.19Å; D161-M166 VanDerWaalsContact N-O 3.08Å; D161-M166 PolarHBondContact O-N 2.89Å; S164-M166 PolarHBondContact O-N 2.88Å
167W98.8Very high97.8Very high2 Ų252.3 Ų52.31%0.00831%0.312CS..EExtended strand (participates in β ladder)trans-84136.2169-73.9102000110.8W92 S121 G122 M123 P125 M140 I142 H158 K159 L160W92-W167 HydrophobicContact CD2-CH2 4.34Å; W92-W167 AromaticContact CD2-CZ2 3.9Å; W92-W167 HydrophobicContact CD2-CZ2 3.9Å; W92-W167 AromaticContact CE3-CZ2 3.68Å; W92-W167 HydrophobicContact CE3-CZ2 3.68Å; W92-W167 HydrophobicContact CH2-CZ2 4.31Å; W92-W167 AromaticContact CZ3-CZ2 3.9Å; W92-W167 HydrophobicContact CZ3-CZ2 3.9Å; W92-W167 AromaticContact CZ3-NE1 3.85Å; S121-W167 PolarHBondContact O-N 2.91Å; G122-W167 WeakPolarHBondContact CA-O 3.3Å; M123-W167 PolarHBondContact N-O 3.5Å; M123-W167 WeakPolarHBondContact O-CB 3.48Å; P125-W167 HydrophobicContact CG-CD2 4.01Å; P125-W167 HydrophobicContact CG-CE3 3.86Å; P125-W167 HydrophobicContact CG-CH2 4.39Å; P125-W167 HydrophobicContact CG-CZ3 4.07Å; M140-W167 HydrophobicContact SD-CH2 4.23Å; I142-W167 HydrophobicContact CD1-CH2 4.26Å; I142-W167 HydrophobicContact CD1-CZ3 4.15Å; I142-W167 HydrophobicContact CG1-CH2 4.44Å; I142-W167 HydrophobicContact CG1-CZ3 4.05Å; I142-W167 HydrophobicContact CG2-CH2 4.14Å; I142-W167 HydrophobicContact CG2-CZ3 4.42Å; H158-W167 HydrophobicContact CB-CE3 3.81Å; H158-W167 HydrophobicContact CB-CZ3 3.97Å; K159-W167 CarbonylContact O-C 3.49Å; K159-W167 WeakPolarHBondContact O-CA 3.34Å; L160-W167 HydrophobicContact CB-CD2 3.71Å; L160-W167 HydrophobicContact CB-CE3 3.6Å; L160-W167 HydrophobicContact CB-CH2 3.61Å; L160-W167 HydrophobicContact CB-CZ2 3.71Å; L160-W167 HydrophobicContact CB-CZ3 3.55Å; L160-W167 HydrophobicContact CD1-CD2 4.07Å; L160-W167 HydrophobicContact CD1-CG 4.13Å; L160-W167 HydrophobicContact CD1-CZ2 4.45Å; L160-W167 HydrophobicContact CD2-CH2 4.34Å; L160-W167 HydrophobicContact CD2-CZ2 3.83Å; L160-W167 HydrophobicContact CG-CD2 4.4Å; L160-W167 HydrophobicContact CG-CZ2 4.21Å
168T98.7Very high97.7Very high67 Ų6757 Ų5741%0.41133%0.329SS..EExtended strand (participates in β ladder)trans-125.6131.2172.1-56.80000109.3H158 K159 I170H158-T168 WeakPolarHBondContact CA-O 3.29Å; K159-T168 PolarHBondContact N-O 3.23Å; K159-T168 PolarHBondContact O-N 2.8Å; T168-I170 HydrophobicContact CG2-CD1 4.3Å
169L98.6Very high97.7Very high66 Ų6660.6 Ų60.635%0.34634%0.342SS..EExtended strand (participates in β ladder)trans-78.2121.4166.2174.761.6000108.2M123 D156 S171M123-L169 HydrophobicContact CB-CB 4.1Å; M123-L169 HydrophobicContact CG-CB 4.45Å; D156-L169 HydrophobicContact CB-CD1 3.85Å; L169-S171 PolarHBondContact O-N 3.39Å
170I98.3Very high97.6Very high27 Ų2757.9 Ų57.914%0.13833%0.33CS..  trans-82.8118.5-177.5-55.4-61.2000110.2I157 K159 T168 A172 Y219 N224I157-I170 HydrophobicContact CB-CB 4.14Å; I157-I170 HydrophobicContact CB-CG1 4.39Å; I157-I170 HydrophobicContact CG2-CB 4.18Å; I157-I170 HydrophobicContact CG2-CG1 3.91Å; I157-I170 WeakPolarHBondContact O-CB 3.41Å; I157-I170 PolarHBondContact O-N 3.08Å; K159-I170 HydrophobicContact CB-CD1 3.93Å; K159-I170 HydrophobicContact CB-CG1 4.17Å; K159-I170 HydrophobicContact CD-CD1 4.45Å; T168-I170 HydrophobicContact CG2-CD1 4.3Å; I170-A172 VanDerWaalsContact C-N 3.32Å; I170-A172 PolarHBondContact O-N 3.45Å; I170-Y219 WeakPolarHBondContact CG2-OH 3.46Å; I170-N224 HydrophobicContact CG2-CB 4.4Å
171S96.1Very high97.6Very high114 Ų11457.9 Ų57.980%0.79733%0.33SS*.  trans-79.382.4169.5-167.90000109.8L169L169-S171 PolarHBondContact O-N 3.39Å
172A96.5Very high97.6Very high35 Ų3556.4 Ų56.429%0.28932%0.321SS..  trans-76.2138.3-178.900000111.9I170 Y219 N224I170-A172 VanDerWaalsContact C-N 3.32Å; I170-A172 PolarHBondContact O-N 3.45Å; A172-Y219 HydrophobicContact CB-CD2 4.25Å; A172-Y219 HydrophobicContact CB-CE2 3.63Å; A172-N224 CarbonylContact C-O 3.55Å; A172-N224 VanDerWaalsContact CA-O 3.32Å; A172-N224 WeakPolarHBondContact CA-O 3.49Å
173K97.4Very high97.6Very high149 Ų14956.4 Ų56.465%0.64832%0.32SS*.BIsolated β-bridgetrans-85.8169.6171-55.3175.6-175.6173.80111.1N224 S225 W226K173-N224 PolarHBondContact N-O 2.8Å; K173-S225 WeakPolarHBondContact O-CA 3.25Å; K173-W226 PolarHBondContact O-N 3.46Å
174G96.7Very high97.7Very high56 Ų5651.8 Ų51.858%0.57729%0.293SS*.SBendtrans80.4-166.2177.900000113P176G174-P176 WeakPolarHBondContact O-CD 3.32Å
175T96.4Very high97.7Very high92 Ų9249.2 Ų49.256%0.56428%0.275SS*.  trans-96.9108.3-177.4-610000110.8K217 W226T175-K217 PolarHBondContact O-NZ 3.17Å; T175-W226 WeakPolarHBondContact O-CB 3Å
176P95.8Very high97.7Very high53 Ų5348.2 Ų48.234%0.34427%0.271SS..PPolyproline II helixtrans-63.8161-174.627.3-35.2000113.1G174 R178 W226G174-P176 WeakPolarHBondContact O-CD 3.32Å; P176-R178 PolarHBondContact O-N 3.39Å; P176-W226 VanDerWaalsContact CA-CD1 3.5Å; P176-W226 HydrophobicContact CB-CD2 4.45Å; P176-W226 HydrophobicContact CB-CG 4.34Å
177A96.8Very high97.7Very high0 Ų045.2 Ų45.20%026%0.257CS..PPolyproline II helixtrans-56.9137.815900000109.5F143 N155 V194 K217 W226F143-A177 HydrophobicContact CE1-CB 4.03Å; F143-A177 HydrophobicContact CE2-CB 4.35Å; F143-A177 HydrophobicContact CZ-CB 3.5Å; F143-A177 VanDerWaalsContact CZ-CB 3.5Å; N155-A177 VanDerWaalsContact CB-O 3.23Å; N155-A177 WeakPolarHBondContact CB-O 3.37Å; N155-A177 PolarHBondContact ND2-O 2.68Å; A177-V194 HydrophobicContact CB-CG1 4.33Å; A177-K217 HydrophobicContact CB-CB 3.79Å; A177-K217 HydrophobicContact CB-CG 3.83Å; A177-W226 HydrophobicContact CB-CE3 4.47Å; A177-W226 HydrophobicContact CB-CH2 3.53Å; A177-W226 HydrophobicContact CB-CZ2 4.08Å; A177-W226 HydrophobicContact CB-CZ3 3.77Å
178R96.1Very high97.7Very high101 Ų10146.4 Ų46.438%0.38126%0.263SS..PPolyproline II helixtrans-54.8149.3174.3-68.9-179.768.6104.6-3.3111.5P176 R180 D200 R201P176-R178 PolarHBondContact O-N 3.39Å; R178-R180 PolarHBondContact O-N 2.88Å; R178-R180 PolarHBondContact O-NE 3.42Å; R178-R180 PolarHBondContact O-NH2 3.45Å; R178-D200 PolarHBondContact NH2-O 3.48Å; R178-R201 VanDerWaalsContact NH2-C 3.3Å; R178-R201 PolarHBondContact NH2-O 3.28Å
179W97.5Very high97.6Very high88 Ų8846 Ų4633%0.33327%0.273SS..SBendtrans-47.4127.4169.1-9.592.3000111.2F153 S154 N155 A199 P204F153-W179 HydrophobicContact CB-CB 3.62Å; F153-W179 WeakPolarHBondContact O-CB 3.36Å; S154-W179 VanDerWaalsContact O-CA 3.32Å; S154-W179 WeakPolarHBondContact O-CA 3.42Å; N155-W179 HydrophobicContact CB-CD2 4.44Å; N155-W179 HydrophobicContact CB-CE3 3.85Å; N155-W179 HydrophobicContact CB-CZ3 4.49Å; N155-W179 WeakPolarHBondContact ND2-CZ3 3.24Å; N155-W179 WeakPolarHBondContact OD1-CZ3 3.37Å; W179-A199 WeakPolarHBondContact O-CB 3.33Å; W179-P204 HydrophobicContact CB-CB 4.42Å; W179-P204 HydrophobicContact CD2-CB 3.92Å; W179-P204 HydrophobicContact CE3-CB 4.28Å; W179-P204 HydrophobicContact CG-CB 3.95Å
180R98.1Very high97.5Very high6 Ų645 Ų452%0.02327%0.269CS..  trans-161.8155.3-17367.2-173.973.3-165.1-1.9114F143 G145 S154 R178 H183 G196 R198 A199F143-R180 HydrophobicContact CE1-CG 4.22Å; G145-R180 PolarHBondContact N-O 2.83Å; S154-R180 PolarHBondContact O-N 2.83Å; S154-R180 VanDerWaalsContact O-N 3.14Å; R178-R180 PolarHBondContact O-N 2.88Å; R178-R180 PolarHBondContact O-NE 3.42Å; R178-R180 PolarHBondContact O-NH2 3.45Å; R180-H183 HydrophobicContact CG-CB 4.13Å; R180-G196 PolarHBondContact NH1-O 3.07Å; R180-G196 VanDerWaalsContact NH1-O 3.11Å; R180-R198 CarbonylContact C-O 3.59Å; R180-R198 WeakPolarHBondContact CA-O 3.5Å; R180-R198 VanDerWaalsContact CB-O 3.27Å; R180-R198 WeakPolarHBondContact CB-O 3.41Å; R180-A199 HydrophobicContact CB-CB 4.14Å
181D98.2Very high97.6Very high0 Ų046.3 Ų46.30%027%0.274CS..EExtended strand (participates in β ladder)trans-123.1167.8168.171.4-6.7000111.9G130 F153 H183 G197 R198G130-D181 CarbonylContact O-C 3.59Å; G130-D181 WeakPolarHBondContact O-CA 3.43Å; F153-D181 HydrophobicContact CD1-CB 4.14Å; F153-D181 HydrophobicContact CE1-CB 4.26Å; D181-H183 PolarHBondContact O-N 2.91Å; D181-G197 CarbonylContact O-C 3.49Å; D181-G197 WeakPolarHBondContact O-CA 3.37Å; D181-R198 PolarHBondContact N-O 2.88Å; D181-R198 PolarHBondContact O-N 2.8Å; D181-R198 WeakPolarHBondContact OD1-CB 3.33Å; D181-R198 IonicContact OD1-CZ 3.72Å; D181-R198 IonicContact OD1-NE 3.41Å; D181-R198 PolarHBondContact OD1-NE 2.75Å; D181-R198 IonicContact OD1-NH2 3.31Å; D181-R198 IonicContact OD2-CZ 3.28Å; D181-R198 IonicContact OD2-NE 2.73Å; D181-R198 PolarHBondContact OD2-NE 3.03Å; D181-R198 IonicContact OD2-NH2 3.39Å; D181-R198 PolarHBondContact OD2-NH2 2.85Å
182F98.3Very high97.7Very high19 Ų1940.9 Ų40.98%0.08324%0.236CC..EExtended strand (participates in β ladder)trans48.637.3179.9-59.9-72.6000113.9G130 R240 S241G130-F182 PolarHBondContact O-N 3Å; F182-R240 HydrophobicContact CB-CB 3.95Å; F182-R240 HydrophobicContact CB-CG 4.47Å; F182-R240 CarbonylContact O-C 3.55Å; F182-R240 WeakPolarHBondContact O-CA 3.47Å; F182-S241 PolarHBondContact O-N 2.89Å
183H98.8Very high97.8Very high14 Ų1440.1 Ų40.17%0.06523%0.225CC..EExtended strand (participates in β ladder)trans-95.6178.1172.263.7-77.2000110.1S132 F143 R180 D181S132-H183 WeakPolarHBondContact CB-NE2 3.38Å; S132-H183 PolarHBondContact OG-CD2 3.5Å; S132-H183 PolarHBondContact OG-NE2 2.88Å; F143-H183 AromaticContact CD1-CD2 3.83Å; F143-H183 AromaticContact CD1-CE1 3.92Å; F143-H183 AromaticContact CD1-NE2 3.2Å; F143-H183 WeakPolarHBondContact CD1-NE2 3.5Å; F143-H183 AromaticContact CE1-NE2 3.81Å; F143-H183 PolarHBondContact O-CE1 2.79Å; F143-H183 PolarHBondContact O-NE2 3.4Å; F143-H183 VanDerWaalsContact O-NE2 3.17Å; R180-H183 HydrophobicContact CG-CB 4.13Å; D181-H183 PolarHBondContact O-N 2.91Å
184S98.7Very high97.9Very high12 Ų1233 Ų338%0.08420%0.195CC..EExtended strand (participates in β ladder)trans-115.6141.8166.763.40000111V194 F195 H242 A244S184-V194 WeakPolarHBondContact O-CA 3.11Å; S184-F195 PolarHBondContact N-O 3.36Å; S184-F195 PolarHBondContact O-N 2.8Å; S184-F195 PolarHBondContact OG-O 3.45Å; S184-H242 VanDerWaalsContact CB-NE2 3.33Å; S184-H242 WeakPolarHBondContact CB-NE2 3.4Å; S184-H242 PolarHBondContact OG-NE2 3.41Å; S184-A244 VanDerWaalsContact CB-CB 3.45Å; S184-A244 WeakPolarHBondContact OG-CB 3.43Å
185A98.5Very high98Very high10 Ų1030.4 Ų30.48%0.08317%0.167CC..EExtended strand (participates in β ladder)trans-117.5137.6160.300000109.2S132 M192 Y193 V194S132-A185 WeakPolarHBondContact OG-CB 3.44Å; S132-A185 PolarHBondContact OG-N 3.06Å; A185-M192 HydrophobicContact CB-CG 3.9Å; A185-M192 HydrophobicContact CB-SD 3.93Å; A185-Y193 VanDerWaalsContact CA-O 3.31Å; A185-Y193 WeakPolarHBondContact CA-O 3.43Å; A185-V194 HydrophobicContact CB-CG2 4.13Å
186T98.6Very high98.1Very high15 Ų1526 Ų269%0.09214%0.14CC..EExtended strand (participates in β ladder)trans-137.7130.2177.9-57.50000109.2I188 Y193 L251T186-I188 HydrophobicContact CG2-CG1 4.41Å; T186-Y193 PolarHBondContact N-O 3.18Å; T186-Y193 PolarHBondContact O-N 3.46Å; T186-L251 HydrophobicContact CG2-CD1 3.98Å
187I98.4Very high98.2Very high24 Ų2423.5 Ų23.512%0.12312%0.124CC..EExtended strand (participates in β ladder)trans-88.4129.4175.7-73.2177.8000109.6C134 L136 F141 G189 K191 M192C134-I187 HydrophobicContact CB-CD1 4.04Å; C134-I187 HydrophobicContact CB-CG1 3.96Å; C134-I187 WeakPolarHBondContact SG-CD1 3.37Å; C134-I187 VanDerWaalsContact SG-CG1 3.58Å; L136-I187 HydrophobicContact CB-CD1 3.81Å; L136-I187 HydrophobicContact CB-CG2 4.41Å; L136-I187 HydrophobicContact CD1-CG2 4.23Å; F141-I187 HydrophobicContact CD2-CD1 4.18Å; I187-G189 VanDerWaalsContact CG2-O 3.25Å; I187-G189 WeakPolarHBondContact CG2-O 3.04Å; I187-K191 WeakPolarHBondContact CA-O 3.38Å; I187-M192 HydrophobicContact CG1-CB 4.02Å; I187-M192 HydrophobicContact CG1-CG 4.35Å
188I98.4Very high98.2Very high26 Ų2625.3 Ų25.313%0.13313%0.131CC..EExtended strand (participates in β ladder)trans-130.4116170.7-57.4174.6000107.1T186 T190 K191 Y193 L251 P273T186-I188 HydrophobicContact CG2-CG1 4.41Å; I188-T190 PolarHBondContact O-N 3.05Å; I188-K191 PolarHBondContact N-O 2.84Å; I188-K191 PolarHBondContact O-N 3.07Å; I188-Y193 HydrophobicContact CB-CD2 4.18Å; I188-Y193 HydrophobicContact CB-CE2 3.77Å; I188-Y193 HydrophobicContact CD1-CD2 4.32Å; I188-Y193 HydrophobicContact CD1-CE2 4.42Å; I188-Y193 HydrophobicContact CG1-CD2 4.26Å; I188-Y193 HydrophobicContact CG1-CE2 4.31Å; I188-L251 HydrophobicContact CD1-CB 3.9Å; I188-P273 HydrophobicContact CD1-CG 4.07Å
189G97.4Very high98.3Very high60 Ų6020.5 Ų20.562%0.61911%0.113SC*.THydrogen-bonded Turntrans62.8-127.3-167.900000110.4I187I187-G189 VanDerWaalsContact CG2-O 3.25Å; I187-G189 WeakPolarHBondContact CG2-O 3.04Å
190T97.4Very high98.2Very high43 Ų4316.3 Ų16.326%0.26410%0.097SC..THydrogen-bonded Turntrans-97.59.4178.258.70000113.4I188 T221 E222I188-T190 PolarHBondContact O-N 3.05Å; T190-T221 WeakPolarHBondContact O-CB 3.47Å; T190-T221 WeakPolarHBondContact O-CG2 3.22Å; T190-T221 PolarHBondContact O-N 3.04Å; T190-T221 PolarHBondContact O-OG1 2.8Å; T190-E222 WeakPolarHBondContact CB-OE2 3.24Å; T190-E222 HydrophobicContact CG2-CG 3.98Å; T190-E222 PolarHBondContact OG1-OE2 2.93Å
191K98.6Very high97.9Very high56 Ų5622.1 Ų22.124%0.24312%0.119CC..EExtended strand (participates in β ladder)trans-117.1135.2-174.2-53.9-163.8-167.7-49.90111.7I187 I188 Y193 V218 Y219 D220 L227I187-K191 WeakPolarHBondContact CA-O 3.38Å; I188-K191 PolarHBondContact N-O 2.84Å; I188-K191 PolarHBondContact O-N 3.07Å; K191-Y193 HydrophobicContact CB-CE2 3.74Å; K191-Y193 WeakPolarHBondContact O-CD2 3.47Å; K191-Y193 WeakPolarHBondContact O-CE2 3.37Å; K191-V218 HydrophobicContact CB-CG1 3.89Å; K191-V218 HydrophobicContact CD-CG1 3.97Å; K191-V218 HydrophobicContact CG-CG1 4.47Å; K191-Y219 CarbonylContact C-O 3.58Å; K191-Y219 WeakPolarHBondContact CA-O 3.45Å; K191-D220 IonicContact NZ-OD1 3.17Å; K191-D220 PolarHBondContact NZ-OD1 2.91Å; K191-D220 IonicContact NZ-OD2 3.99Å; K191-D220 PolarHBondContact NZ-OD2 3.36Å; K191-L227 HydrophobicContact CD-CD1 3.89Å
192M98.8Very high97.7Very high0 Ų028.8 Ų28.80%015%0.148CC..EExtended strand (participates in β ladder)trans-94.7124.4173.6-178.8-167.6-63.900109.7C134 F141 F143 A185 I187 V194 V218 Y219C134-M192 WeakPolarHBondContact SG-CE 3.09Å; F141-M192 HydrophobicContact CB-CE 3.49Å; F141-M192 VanDerWaalsContact CB-CE 3.49Å; F141-M192 HydrophobicContact CD1-CE 4.22Å; F141-M192 HydrophobicContact CG-CE 4.04Å; F143-M192 HydrophobicContact CB-SD 4.26Å; A185-M192 HydrophobicContact CB-CG 3.9Å; A185-M192 HydrophobicContact CB-SD 3.93Å; I187-M192 HydrophobicContact CG1-CB 4.02Å; I187-M192 HydrophobicContact CG1-CG 4.35Å; M192-V194 HydrophobicContact CG-CG2 4.36Å; M192-V194 HydrophobicContact SD-CG2 4.24Å; M192-V218 WeakPolarHBondContact O-CA 3.38Å; M192-Y219 HydrophobicContact CB-CD1 4.33Å; M192-Y219 PolarHBondContact N-O 3.16Å; M192-Y219 PolarHBondContact O-N 3.06Å
193Y98.8Very high97Very high19 Ų1928.7 Ų28.78%0.07515%0.152CC..EExtended strand (participates in β ladder)trans-105116.8178.7-62.2-97.7000109.4A185 T186 I188 K191 I216 V218 F271 P273A185-Y193 VanDerWaalsContact CA-O 3.31Å; A185-Y193 WeakPolarHBondContact CA-O 3.43Å; T186-Y193 PolarHBondContact N-O 3.18Å; T186-Y193 PolarHBondContact O-N 3.46Å; I188-Y193 HydrophobicContact CB-CD2 4.18Å; I188-Y193 HydrophobicContact CB-CE2 3.77Å; I188-Y193 HydrophobicContact CD1-CD2 4.32Å; I188-Y193 HydrophobicContact CD1-CE2 4.42Å; I188-Y193 HydrophobicContact CG1-CD2 4.26Å; I188-Y193 HydrophobicContact CG1-CE2 4.31Å; K191-Y193 HydrophobicContact CB-CE2 3.74Å; K191-Y193 WeakPolarHBondContact O-CD2 3.47Å; K191-Y193 WeakPolarHBondContact O-CE2 3.37Å; Y193-I216 HydrophobicContact CD1-CG2 4Å; Y193-V218 HydrophobicContact CD1-CG1 4.38Å; Y193-V218 HydrophobicContact CD1-CG2 3.77Å; Y193-V218 HydrophobicContact CE1-CG1 4.03Å; Y193-V218 HydrophobicContact CE1-CG2 3.77Å; Y193-F271 HydrophobicContact CD1-CD1 4.44Å; Y193-F271 AromaticContact CD1-CE1 3.88Å; Y193-F271 HydrophobicContact CD1-CE1 3.88Å; Y193-F271 AromaticContact CE1-CE1 3.9Å; Y193-F271 HydrophobicContact CE1-CE1 3.9Å; Y193-P273 HydrophobicContact CE1-CB 3.97Å; Y193-P273 HydrophobicContact CE1-CG 4.26Å; Y193-P273 WeakPolarHBondContact OH-CB 3.37Å
194V98.8Very high96.7Very high0 Ų029.7 Ų29.70%016%0.16CC..EExtended strand (participates in β ladder)trans-102.7124.4178.7176.70000109.7F143 A177 S184 A185 M192 I216 K217 W226F143-V194 HydrophobicContact CD1-CG1 4Å; F143-V194 HydrophobicContact CD1-CG2 3.74Å; F143-V194 HydrophobicContact CE1-CB 4.41Å; F143-V194 HydrophobicContact CE1-CG1 3.62Å; F143-V194 HydrophobicContact CE1-CG2 3.98Å; F143-V194 HydrophobicContact CG-CG2 4.43Å; A177-V194 HydrophobicContact CB-CG1 4.33Å; S184-V194 WeakPolarHBondContact O-CA 3.11Å; A185-V194 HydrophobicContact CB-CG2 4.13Å; M192-V194 HydrophobicContact CG-CG2 4.36Å; M192-V194 HydrophobicContact SD-CG2 4.24Å; V194-I216 WeakPolarHBondContact O-CA 3.42Å; V194-K217 HydrophobicContact CB-CB 4.36Å; V194-K217 PolarHBondContact N-O 2.93Å; V194-K217 PolarHBondContact O-N 3.47Å; V194-W226 HydrophobicContact CG2-CH2 3.89Å; V194-W226 HydrophobicContact CG2-CZ3 4.2Å
195F98.8Very high96.6Very high0 Ų035 Ų350%018%0.182CC..EExtended strand (participates in β ladder)trans-134.1147.1178.9178.4-95.3000111.7S184 N214 I216 P236 R239 H242 V253 W278S184-F195 PolarHBondContact N-O 3.36Å; S184-F195 PolarHBondContact O-N 2.8Å; S184-F195 PolarHBondContact OG-O 3.45Å; F195-N214 WeakPolarHBondContact CE2-O 3.48Å; F195-I216 HydrophobicContact CB-CG1 4.21Å; F195-I216 HydrophobicContact CD2-CG1 4.05Å; F195-P236 HydrophobicContact CE1-CG 4.4Å; F195-P236 HydrophobicContact CE2-CG 3.47Å; F195-P236 VanDerWaalsContact CE2-CG 3.47Å; F195-P236 HydrophobicContact CZ-CB 4Å; F195-P236 HydrophobicContact CZ-CG 3.36Å; F195-R239 HydrophobicContact CE1-CG 3.94Å; F195-R239 HydrophobicContact CZ-CG 4.47Å; F195-H242 AromaticContact CD1-CE1 3.88Å; F195-H242 AromaticContact CD1-NE2 3.58Å; F195-H242 PolarHBondContact O-CE1 3.32Å; F195-V253 HydrophobicContact CD1-CB 4.46Å; F195-V253 HydrophobicContact CD1-CG1 4.07Å; F195-V253 HydrophobicContact CD1-CG2 3.67Å; F195-V253 HydrophobicContact CE1-CB 4.47Å; F195-V253 HydrophobicContact CE1-CG1 3.79Å; F195-V253 HydrophobicContact CE1-CG2 4.14Å; F195-V253 HydrophobicContact CG-CG2 4.27Å; F195-W278 HydrophobicContact CD2-CH2 4.16Å; F195-W278 AromaticContact CD2-CZ2 3.6Å; F195-W278 HydrophobicContact CD2-CZ2 3.6Å; F195-W278 HydrophobicContact CE2-CH2 4.41Å; F195-W278 AromaticContact CE2-CZ2 3.87Å; F195-W278 HydrophobicContact CE2-CZ2 3.87Å; F195-W278 HydrophobicContact CG-CH2 4.32Å; F195-W278 HydrophobicContact CG-CZ2 4.17Å
196G98.6Very high96.2Very high0 Ų038.4 Ų38.40%020%0.196CC..EExtended strand (participates in β ladder)trans72.8-156.9174.400000113.4R180 C213 R239R180-G196 PolarHBondContact NH1-O 3.07Å; R180-G196 VanDerWaalsContact NH1-O 3.11Å; G196-C213 WeakPolarHBondContact CA-O 3.22Å; G196-C213 PolarHBondContact N-O 2.77Å; G196-R239 CarbonylContact C-O 3.57Å; G196-R239 VanDerWaalsContact CA-O 3.22Å; G196-R239 WeakPolarHBondContact CA-O 3.12Å
197G98.3Very high95.8Very high0 Ų039.6 Ų39.60%021%0.205CC..EExtended strand (participates in β ladder)trans93.8156.9-178.500000113.4D181 C213 R239D181-G197 CarbonylContact O-C 3.49Å; D181-G197 WeakPolarHBondContact O-CA 3.37Å; G197-C213 PolarHBondContact O-N 2.87Å; G197-C213 VanDerWaalsContact O-N 3.17Å; G197-R239 PolarHBondContact N-O 2.7Å
198R97.6Very high95.3Very high38 Ų3844.9 Ų44.914%0.14323%0.234CC..EExtended strand (participates in β ladder)trans-87.5133.2165.2164.1-175.769.8160.211.7108.1R180 D181 E210 Y212 R240R180-R198 CarbonylContact C-O 3.59Å; R180-R198 WeakPolarHBondContact CA-O 3.5Å; R180-R198 VanDerWaalsContact CB-O 3.27Å; R180-R198 WeakPolarHBondContact CB-O 3.41Å; D181-R198 PolarHBondContact N-O 2.88Å; D181-R198 PolarHBondContact O-N 2.8Å; D181-R198 WeakPolarHBondContact OD1-CB 3.33Å; D181-R198 IonicContact OD1-CZ 3.72Å; D181-R198 IonicContact OD1-NE 3.41Å; D181-R198 PolarHBondContact OD1-NE 2.75Å; D181-R198 IonicContact OD1-NH2 3.31Å; D181-R198 IonicContact OD2-CZ 3.28Å; D181-R198 IonicContact OD2-NE 2.73Å; D181-R198 PolarHBondContact OD2-NE 3.03Å; D181-R198 IonicContact OD2-NH2 3.39Å; D181-R198 PolarHBondContact OD2-NH2 2.85Å; R198-E210 WeakPolarHBondContact CD-OE1 3.14Å; R198-E210 HydrophobicContact CG-CG 4.38Å; R198-E210 IonicContact CZ-OE1 2.69Å; R198-E210 IonicContact NE-OE1 3.44Å; R198-E210 IonicContact NH1-OE1 2.79Å; R198-E210 PolarHBondContact NH1-OE1 2.97Å; R198-Y212 HydrophobicContact CB-CE1 4.1Å; R198-R240 HydrophobicContact CB-CB 4.37Å
199A97.3Very high95.1Very high0 Ų047.1 Ų47.10%025%0.246CC..EExtended strand (participates in β ladder)trans-129.3172.8170.500000108.6W179 R180 E210 I211W179-A199 WeakPolarHBondContact O-CB 3.33Å; R180-A199 HydrophobicContact CB-CB 4.14Å; A199-E210 CarbonylContact O-C 3.55Å; A199-E210 WeakPolarHBondContact O-CA 3.45Å; A199-I211 HydrophobicContact CB-CD1 4.08Å; A199-I211 HydrophobicContact CB-CG1 3.75Å; A199-I211 PolarHBondContact N-O 3.2Å; A199-I211 WeakPolarHBondContact O-CG1 3.43Å; A199-I211 PolarHBondContact O-N 3.29Å
200D95.1Very high94.9Very high1 Ų146.3 Ų46.31%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-108.2142.3172.8-165.7-74.9000110.4F153 R178 F202 G203 S207F153-D200 HydrophobicContact CD2-CB 4.13Å; F153-D200 HydrophobicContact CE2-CB 3.94Å; R178-D200 PolarHBondContact NH2-O 3.48Å; D200-F202 VanDerWaalsContact C-N 3.29Å; D200-F202 PolarHBondContact O-N 3.39Å; D200-F202 PolarHBondContact OD1-N 2.93Å; D200-G203 PolarHBondContact O-N 2.63Å; D200-G203 PolarHBondContact OD1-N 3.4Å; D200-S207 PolarHBondContact OD1-OG 3.42Å; D200-S207 PolarHBondContact OD2-N 3.17Å; D200-S207 PolarHBondContact OD2-OG 2.84Å
201R93.7Very high94.9Very high128 Ų12845.7 Ų45.748%0.48322%0.22SC..THydrogen-bonded Turntrans-59.8-38.9178-179.6177.3-68.5-86.11.6112.4R178 N209 I211R178-R201 VanDerWaalsContact NH2-C 3.3Å; R178-R201 PolarHBondContact NH2-O 3.28Å; R201-N209 HydrophobicContact CB-CB 3.94Å; R201-N209 WeakPolarHBondContact CB-O 3.17Å; R201-N209 PolarHBondContact N-O 3.28Å; R201-I211 HydrophobicContact CB-CG2 4.14Å
202F92.4Very high94.8Very high139 Ų13944 Ų4461%0.6121%0.213SC*.THydrogen-bonded Turntrans-109.216.5-175.7-52.7-64.5000112.5D200 S207 N209D200-F202 VanDerWaalsContact C-N 3.29Å; D200-F202 PolarHBondContact O-N 3.39Å; D200-F202 PolarHBondContact OD1-N 2.93Å; F202-S207 WeakPolarHBondContact CD2-OG 3.32Å; F202-N209 HydrophobicContact CD2-CB 4.08Å; F202-N209 HydrophobicContact CE2-CB 3.98Å
203G84.2Confident94.7Very high17 Ų1744.9 Ų44.918%0.17522%0.218CC..  trans-48166.2-171.700000115.3D200D200-G203 PolarHBondContact O-N 2.63Å; D200-G203 PolarHBondContact OD1-N 3.4Å
204P93.2Very high94.6Very high36 Ų3646.5 Ų46.523%0.23423%0.228CC..SBendcis-91.9-10.228.333.6-36.7000115.1C152 F153 W179C152-P204 HydrophobicContact CB-CB 4.21Å; F153-P204 VanDerWaalsContact CD2-O 3.28Å; F153-P204 WeakPolarHBondContact CD2-O 3.31Å; F153-P204 PolarHBondContact N-O 2.86Å; F153-P204 WeakPolarHBondContact O-CB 3.27Å; W179-P204 HydrophobicContact CB-CB 4.42Å; W179-P204 HydrophobicContact CD2-CB 3.92Å; W179-P204 HydrophobicContact CE3-CB 4.28Å; W179-P204 HydrophobicContact CG-CB 3.95Å
205F95Very high94.4Very high124 Ų12454.6 Ų54.654%0.54426%0.259SS..BIsolated β-bridgetrans-82.5155.9-179-55.6-79000112.2A150 D151 C152 S207A150-F205 WeakPolarHBondContact O-CE1 3.03Å; D151-F205 WeakPolarHBondContact O-CD1 3.44Å; C152-F205 HydrophobicContact CB-CD1 3.85Å; C152-F205 HydrophobicContact CB-CE1 3.84Å; F205-S207 PolarHBondContact O-N 2.84Å
206H90.1Very high94.4Very high81 Ų8154.8 Ų54.838%0.37526%0.26SS..  trans-72.9118.8176.9-169.957.5000110.7F153 N208 E210F153-H206 HydrophobicContact CE2-CB 4.44Å; H206-N208 PolarHBondContact NE2-OD1 2.86Å; H206-E210 IonicContact CE1-OE1 2.89Å
207S91.8Very high94.3Very high40 Ų4057.4 Ų57.428%0.2827%0.271SS..  trans-11613.1-179.574.80000112.8D200 F202 F205 N209D200-S207 PolarHBondContact OD1-OG 3.42Å; D200-S207 PolarHBondContact OD2-N 3.17Å; D200-S207 PolarHBondContact OD2-OG 2.84Å; F202-S207 WeakPolarHBondContact CD2-OG 3.32Å; F205-S207 PolarHBondContact O-N 2.84Å; S207-N209 PolarHBondContact O-N 3.25Å; S207-N209 VanDerWaalsContact O-N 3.09Å; S207-N209 PolarHBondContact O-ND2 3.08Å; S207-N209 WeakPolarHBondContact OG-CB 3.2Å; S207-N209 PolarHBondContact OG-N 2.97Å
208N88Confident94.4Very high135 Ų13557.7 Ų57.772%0.72227%0.273SS*.SBendtrans57.611.6-168.1-63-46000114.6H206H206-N208 PolarHBondContact NE2-OD1 2.86Å
209N93.3Very high94.4Very high73 Ų7355.9 Ų55.939%0.3927%0.266SS..  trans-104.764.1177-74.8-90.1000110.7R201 F202 S207R201-N209 HydrophobicContact CB-CB 3.94Å; R201-N209 WeakPolarHBondContact CB-O 3.17Å; R201-N209 PolarHBondContact N-O 3.28Å; F202-N209 HydrophobicContact CD2-CB 4.08Å; F202-N209 HydrophobicContact CE2-CB 3.98Å; S207-N209 PolarHBondContact O-N 3.25Å; S207-N209 VanDerWaalsContact O-N 3.09Å; S207-N209 PolarHBondContact O-ND2 3.08Å; S207-N209 WeakPolarHBondContact OG-CB 3.2Å; S207-N209 PolarHBondContact OG-N 2.97Å
210E94Very high94.5Very high42 Ų4256.4 Ų56.420%0.19627%0.269CS..EExtended strand (participates in β ladder)trans-62.1142-177.7-60.4-169.3155.500112.3R198 A199 H206 Y212 R260R198-E210 WeakPolarHBondContact CD-OE1 3.14Å; R198-E210 HydrophobicContact CG-CG 4.38Å; R198-E210 IonicContact CZ-OE1 2.69Å; R198-E210 IonicContact NE-OE1 3.44Å; R198-E210 IonicContact NH1-OE1 2.79Å; R198-E210 PolarHBondContact NH1-OE1 2.97Å; A199-E210 CarbonylContact O-C 3.55Å; A199-E210 WeakPolarHBondContact O-CA 3.45Å; H206-E210 IonicContact CE1-OE1 2.89Å; E210-Y212 HydrophobicContact CB-CE2 4.19Å; E210-Y212 PolarHBondContact OE2-OH 3.09Å; E210-R260 WeakPolarHBondContact O-CD 3.45Å
211I96.3Very high94.6Very high30 Ų3057.3 Ų57.315%0.15428%0.275CS..EExtended strand (participates in β ladder)trans-129.9147.3170.260.2166.8000109.2A199 R201A199-I211 HydrophobicContact CB-CD1 4.08Å; A199-I211 HydrophobicContact CB-CG1 3.75Å; A199-I211 PolarHBondContact N-O 3.2Å; A199-I211 WeakPolarHBondContact O-CG1 3.43Å; A199-I211 PolarHBondContact O-N 3.29Å; R201-I211 HydrophobicContact CB-CG2 4.14Å
212Y97.8Very high94.8Very high22 Ų2257.5 Ų57.59%0.08628%0.281CS..EExtended strand (participates in β ladder)trans-113.5112-179.6-68.7-91.9000108.3R198 E210 R240 N258 A259 R260R198-Y212 HydrophobicContact CB-CE1 4.1Å; E210-Y212 HydrophobicContact CB-CE2 4.19Å; E210-Y212 PolarHBondContact OE2-OH 3.09Å; Y212-R240 HydrophobicContact CD1-CB 4.3Å; Y212-R240 HydrophobicContact CD1-CG 4.46Å; Y212-R240 HydrophobicContact CE1-CB 4.12Å; Y212-R240 HydrophobicContact CE1-CG 3.84Å; Y212-N258 WeakPolarHBondContact CD2-OD1 3.49Å; Y212-A259 HydrophobicContact CE2-CB 4.19Å; Y212-A259 WeakPolarHBondContact OH-CB 3.28Å; Y212-R260 HydrophobicContact CD2-CG 4.21Å; Y212-R260 HydrophobicContact CE2-CG 4.05Å
213C95.9Very high95Very high17 Ų1754.3 Ų54.312%0.11527%0.273CS..  trans-73.3130.6-173.1-66.80000110.5G196 G197G196-C213 WeakPolarHBondContact CA-O 3.22Å; G196-C213 PolarHBondContact N-O 2.77Å; G197-C213 PolarHBondContact O-N 2.87Å; G197-C213 VanDerWaalsContact O-N 3.17Å
214N96.1Very high95.6Very high53 Ų5356.8 Ų56.828%0.28328%0.282SS..  trans-120.91.1-179.768.9-17.7000114.3F195 P236F195-N214 WeakPolarHBondContact CE2-O 3.48Å; N214-P236 WeakPolarHBondContact CB-O 3.27Å
215R96.1Very high95.9Very high171 Ų17156.1 Ų56.165%0.64528%0.279SS*.SBendtrans-99.9139.2175.8-65.9-174.4175.8-158-0.8110.5L235R215-L235 HydrophobicContact CG-CD1 4.12Å
216I97.3Very high96.1Very high4 Ų450.8 Ų50.82%0.02126%0.255CS..  trans-70.4134.8170.8-82-178.8000110.1Y193 V194 F195 V218 S229 L251 F271 F276 W278Y193-I216 HydrophobicContact CD1-CG2 4Å; V194-I216 WeakPolarHBondContact O-CA 3.42Å; F195-I216 HydrophobicContact CB-CG1 4.21Å; F195-I216 HydrophobicContact CD2-CG1 4.05Å; I216-V218 HydrophobicContact CG2-CG2 3.69Å; I216-S229 PolarHBondContact O-OG 3.1Å; I216-S229 VanDerWaalsContact O-OG 3.13Å; I216-L251 HydrophobicContact CD1-CD2 3.88Å; I216-F271 HydrophobicContact CD1-CB 3.96Å; I216-F271 HydrophobicContact CD1-CD1 3.37Å; I216-F271 HydrophobicContact CD1-CD2 3.59Å; I216-F271 HydrophobicContact CD1-CE1 3.59Å; I216-F271 HydrophobicContact CD1-CE2 3.81Å; I216-F271 HydrophobicContact CD1-CG 3.35Å; I216-F271 HydrophobicContact CD1-CZ 3.8Å; I216-F271 HydrophobicContact CG2-CE1 4.44Å; I216-F271 HydrophobicContact CG2-CZ 4.36Å; I216-F276 HydrophobicContact CG2-CZ 4.33Å; I216-W278 HydrophobicContact CD1-CH2 4.05Å; I216-W278 HydrophobicContact CD1-CZ2 3.26Å; I216-W278 HydrophobicContact CG1-CZ2 3.63Å
217K98.1Very high96.4Very high54 Ų5449.6 Ų49.624%0.23525%0.251CS..EExtended strand (participates in β ladder)trans-111.9137.5165.7-74.9-70.1-161.7167.10109T175 A177 V194 W226T175-K217 PolarHBondContact O-NZ 3.17Å; A177-K217 HydrophobicContact CB-CB 3.79Å; A177-K217 HydrophobicContact CB-CG 3.83Å; V194-K217 HydrophobicContact CB-CB 4.36Å; V194-K217 PolarHBondContact N-O 2.93Å; V194-K217 PolarHBondContact O-N 3.47Å; K217-W226 HydrophobicContact CB-CE3 4.04Å; K217-W226 HydrophobicContact CB-CZ3 3.64Å
218V98.6Very high96.6Very high6 Ų654.7 Ų54.74%0.03628%0.275CS..EExtended strand (participates in β ladder)trans-117.4123-176.5-171.10000108.8K191 M192 Y193 I216 W226 L227 F276K191-V218 HydrophobicContact CB-CG1 3.89Å; K191-V218 HydrophobicContact CD-CG1 3.97Å; K191-V218 HydrophobicContact CG-CG1 4.47Å; M192-V218 WeakPolarHBondContact O-CA 3.38Å; Y193-V218 HydrophobicContact CD1-CG1 4.38Å; Y193-V218 HydrophobicContact CD1-CG2 3.77Å; Y193-V218 HydrophobicContact CE1-CG1 4.03Å; Y193-V218 HydrophobicContact CE1-CG2 3.77Å; I216-V218 HydrophobicContact CG2-CG2 3.69Å; V218-W226 WeakPolarHBondContact O-CA 3.3Å; V218-L227 HydrophobicContact CB-CB 4.43Å; V218-L227 HydrophobicContact CB-CD1 4.5Å; V218-L227 HydrophobicContact CG1-CD1 4.02Å; V218-L227 PolarHBondContact O-N 3.45Å; V218-F276 HydrophobicContact CG2-CE2 4.07Å
219Y98.8Very high96.8Very high0 Ų050.4 Ų50.40%026%0.256CS..EExtended strand (participates in β ladder)trans-106.4127.3170.9173.1-100.3000109.2I157 I170 A172 K191 M192 T221 N224 W226I157-Y219 HydrophobicContact CD1-CD1 3.84Å; I157-Y219 HydrophobicContact CD1-CD2 3.48Å; I157-Y219 VanDerWaalsContact CD1-CD2 3.48Å; I157-Y219 HydrophobicContact CD1-CE1 3.97Å; I157-Y219 HydrophobicContact CD1-CE2 3.62Å; I157-Y219 HydrophobicContact CD1-CG 3.59Å; I170-Y219 WeakPolarHBondContact CG2-OH 3.46Å; A172-Y219 HydrophobicContact CB-CD2 4.25Å; A172-Y219 HydrophobicContact CB-CE2 3.63Å; K191-Y219 CarbonylContact C-O 3.58Å; K191-Y219 WeakPolarHBondContact CA-O 3.45Å; M192-Y219 HydrophobicContact CB-CD1 4.33Å; M192-Y219 PolarHBondContact N-O 3.16Å; M192-Y219 PolarHBondContact O-N 3.06Å; Y219-T221 HydrophobicContact CD1-CG2 4.07Å; Y219-T221 HydrophobicContact CE1-CG2 3.9Å; Y219-N224 VanDerWaalsContact OH-CA 3.25Å; Y219-N224 WeakPolarHBondContact OH-CA 3.35Å; Y219-N224 WeakPolarHBondContact OH-CB 3.44Å; Y219-N224 PolarHBondContact OH-OD1 3.02Å; Y219-W226 HydrophobicContact CD2-CD2 4.14Å; Y219-W226 HydrophobicContact CD2-CG 4.22Å; Y219-W226 AromaticContact CD2-NE1 3.96Å
220D98.4Very high96.8Very high11 Ų1150.1 Ų50.16%0.05926%0.258CS..EExtended strand (participates in β ladder)trans-95117.9177.2-170.3-10.3000110.3K191 E222 T223 N224 S225 L227K191-D220 IonicContact NZ-OD1 3.17Å; K191-D220 PolarHBondContact NZ-OD1 2.91Å; K191-D220 IonicContact NZ-OD2 3.99Å; K191-D220 PolarHBondContact NZ-OD2 3.36Å; D220-E222 VanDerWaalsContact C-N 3.31Å; D220-E222 PolarHBondContact O-N 2.84Å; D220-E222 PolarHBondContact OD1-N 3.42Å; D220-E222 VanDerWaalsContact OD1-N 3.13Å; D220-T223 WeakPolarHBondContact CB-OG1 3.36Å; D220-T223 PolarHBondContact OD2-OG1 2.77Å; D220-N224 VanDerWaalsContact O-CA 3.3Å; D220-N224 WeakPolarHBondContact O-CA 3.5Å; D220-N224 PolarHBondContact O-N 2.79Å; D220-S225 PolarHBondContact N-O 2.83Å; D220-S225 PolarHBondContact O-N 3.06Å; D220-L227 HydrophobicContact CB-CD1 4.09Å; D220-L227 HydrophobicContact CB-CD2 3.95Å; D220-L227 HydrophobicContact CB-CG 4.07Å
221T98Very high96.6Very high20 Ų2054 Ų5412%0.12329%0.287CS..THydrogen-bonded Turntrans-76.2-18.5-175.765.70000113.1L136 F141 T190 Y219 N224L136-T221 HydrophobicContact CD2-CG2 4.05Å; L136-T221 VanDerWaalsContact CD2-OG1 3.24Å; L136-T221 WeakPolarHBondContact CD2-OG1 3.06Å; F141-T221 HydrophobicContact CE1-CG2 4.38Å; F141-T221 HydrophobicContact CZ-CG2 4.34Å; T190-T221 WeakPolarHBondContact O-CB 3.47Å; T190-T221 WeakPolarHBondContact O-CG2 3.22Å; T190-T221 PolarHBondContact O-N 3.04Å; T190-T221 PolarHBondContact O-OG1 2.8Å; Y219-T221 HydrophobicContact CD1-CG2 4.07Å; Y219-T221 HydrophobicContact CE1-CG2 3.9Å; T221-N224 PolarHBondContact O-OD1 2.83Å
222E97.2Very high96.4Very high132 Ų13253.6 Ų53.662%0.61729%0.286SS*.THydrogen-bonded Turntrans-83.5-40.9179.3-69.1173.8126.200111.3T190 D220T190-E222 WeakPolarHBondContact CB-OE2 3.24Å; T190-E222 HydrophobicContact CG2-CG 3.98Å; T190-E222 PolarHBondContact OG1-OE2 2.93Å; D220-E222 VanDerWaalsContact C-N 3.31Å; D220-E222 PolarHBondContact O-N 2.84Å; D220-E222 PolarHBondContact OD1-N 3.42Å; D220-E222 VanDerWaalsContact OD1-N 3.13Å
223T97.4Very high96Very high73 Ų7358.9 Ų58.945%0.44832%0.323SS..THydrogen-bonded Turntrans-94.5-2.1-179.163.10000113.1D220 S225D220-T223 WeakPolarHBondContact CB-OG1 3.36Å; D220-T223 PolarHBondContact OD2-OG1 2.77Å; T223-S225 PolarHBondContact O-N 3.11Å; T223-S225 PolarHBondContact O-OG 3.29Å
224N97.4Very high95.9Very high68 Ų6861.8 Ų61.836%0.36434%0.34SS..THydrogen-bonded Turntrans44.949-171.8-67.1-44.3000112.8I170 A172 K173 Y219 D220 T221I170-N224 HydrophobicContact CG2-CB 4.4Å; A172-N224 CarbonylContact C-O 3.55Å; A172-N224 VanDerWaalsContact CA-O 3.32Å; A172-N224 WeakPolarHBondContact CA-O 3.49Å; K173-N224 PolarHBondContact N-O 2.8Å; Y219-N224 VanDerWaalsContact OH-CA 3.25Å; Y219-N224 WeakPolarHBondContact OH-CA 3.35Å; Y219-N224 WeakPolarHBondContact OH-CB 3.44Å; Y219-N224 PolarHBondContact OH-OD1 3.02Å; D220-N224 VanDerWaalsContact O-CA 3.3Å; D220-N224 WeakPolarHBondContact O-CA 3.5Å; D220-N224 PolarHBondContact O-N 2.79Å; T221-N224 PolarHBondContact O-OD1 2.83Å
225S98.3Very high96Very high23 Ų2361.2 Ų61.216%0.16134%0.336CS..EExtended strand (participates in β ladder)trans-137.8137.5-171.9-59.90000111.7K173 D220 T223K173-S225 WeakPolarHBondContact O-CA 3.25Å; D220-S225 PolarHBondContact N-O 2.83Å; D220-S225 PolarHBondContact O-N 3.06Å; T223-S225 PolarHBondContact O-N 3.11Å; T223-S225 PolarHBondContact O-OG 3.29Å
226W98.6Very high96.1Very high12 Ų1253.1 Ų53.15%0.04531%0.306CS..EExtended strand (participates in β ladder)trans-73.7126163.6-70.395.1000109.4F143 I157 K173 T175 P176 A177 V194 K217 V218 Y219F143-W226 HydrophobicContact CD2-CH2 4.33Å; F143-W226 HydrophobicContact CD2-CZ2 4.07Å; F143-W226 AromaticContact CE2-CH2 3.85Å; F143-W226 HydrophobicContact CE2-CH2 3.85Å; F143-W226 AromaticContact CE2-CZ2 3.54Å; F143-W226 HydrophobicContact CE2-CZ2 3.54Å; F143-W226 HydrophobicContact CZ-CH2 4.03Å; F143-W226 HydrophobicContact CZ-CZ2 4.11Å; I157-W226 HydrophobicContact CD1-CZ2 3.72Å; I157-W226 HydrophobicContact CG1-CZ2 4.25Å; K173-W226 PolarHBondContact O-N 3.46Å; T175-W226 WeakPolarHBondContact O-CB 3Å; P176-W226 VanDerWaalsContact CA-CD1 3.5Å; P176-W226 HydrophobicContact CB-CD2 4.45Å; P176-W226 HydrophobicContact CB-CG 4.34Å; A177-W226 HydrophobicContact CB-CE3 4.47Å; A177-W226 HydrophobicContact CB-CH2 3.53Å; A177-W226 HydrophobicContact CB-CZ2 4.08Å; A177-W226 HydrophobicContact CB-CZ3 3.77Å; V194-W226 HydrophobicContact CG2-CH2 3.89Å; V194-W226 HydrophobicContact CG2-CZ3 4.2Å; K217-W226 HydrophobicContact CB-CE3 4.04Å; K217-W226 HydrophobicContact CB-CZ3 3.64Å; V218-W226 WeakPolarHBondContact O-CA 3.3Å; Y219-W226 HydrophobicContact CD2-CD2 4.14Å; Y219-W226 HydrophobicContact CD2-CG 4.22Å; Y219-W226 AromaticContact CD2-NE1 3.96Å
227L97.9Very high96.1Very high56 Ų5657.4 Ų57.429%0.29333%0.326SS..EExtended strand (participates in β ladder)trans-88.7149.8-178.1-50.8179.3000111K191 V218 D220K191-L227 HydrophobicContact CD-CD1 3.89Å; V218-L227 HydrophobicContact CB-CB 4.43Å; V218-L227 HydrophobicContact CB-CD1 4.5Å; V218-L227 HydrophobicContact CG1-CD1 4.02Å; V218-L227 PolarHBondContact O-N 3.45Å; D220-L227 HydrophobicContact CB-CD1 4.09Å; D220-L227 HydrophobicContact CB-CD2 3.95Å; D220-L227 HydrophobicContact CB-CG 4.07Å
228D95.6Very high96.1Very high146 Ų14655 Ų5578%0.78132%0.316SS*.PPolyproline II helixtrans-71.5132.1167.4-71.2-41000110.2
229S91.7Very high96.1Very high46 Ų4654.7 Ų54.732%0.32231%0.314SS..PPolyproline II helixtrans-97.6128.3-177.2-68.90000109.8I216 F276I216-S229 PolarHBondContact O-OG 3.1Å; I216-S229 VanDerWaalsContact O-OG 3.13Å; S229-F276 WeakPolarHBondContact OG-CZ 3.42Å
230P92.7Very high96.1Very high67 Ų6755.6 Ų55.644%0.43532%0.318SS..PPolyproline II helixtrans-55.3154.8169.6-25.332.6000112.8T232 F276P230-T232 PolarHBondContact O-N 3.34Å; P230-F276 HydrophobicContact CB-CD1 3.83Å; P230-F276 HydrophobicContact CB-CE1 4.44Å; P230-F276 HydrophobicContact CB-CG 4.25Å; P230-F276 HydrophobicContact CG-CB 4.25Å; P230-F276 HydrophobicContact CG-CD1 3.96Å; P230-F276 HydrophobicContact CG-CD2 4.43Å; P230-F276 HydrophobicContact CG-CG 3.95Å; P230-F276 VanDerWaalsContact O-CE1 3.23Å; P230-F276 WeakPolarHBondContact O-CE1 3.47Å
231P90.4Very high96.1Very high124 Ų12455.5 Ų55.581%0.80532%0.318SS*.PPolyproline II helixtrans-57.3134.7170.8-23.934.2000111.8
232T91.9Very high96.1Very high20 Ų2055.3 Ų55.312%0.12332%0.316CS..  trans-119.1102.2178.123.40000108.2P230 V234 L235 F276P230-T232 PolarHBondContact O-N 3.34Å; T232-V234 VanDerWaalsContact C-N 3.34Å; T232-V234 PolarHBondContact O-N 3.37Å; T232-L235 HydrophobicContact CG2-CD2 4.49Å; T232-L235 WeakPolarHBondContact OG1-CD2 3.16Å; T232-F276 HydrophobicContact CG2-CD1 3.65Å; T232-F276 HydrophobicContact CG2-CE1 3.82Å; T232-F276 WeakPolarHBondContact CG2-O 3.46Å
233P89.6Confident96.2Very high133 Ų13349.3 Ų49.386%0.86429%0.288SS*.SBendtrans-70.9-32.3-173.626.2-33.4000112.4
234V94.9Very high96.2Very high79 Ų7946.8 Ų46.848%0.47928%0.275SS..SBendtrans-104.9127.2175-177.70000108.5T232 W269T232-V234 VanDerWaalsContact C-N 3.34Å; T232-V234 PolarHBondContact O-N 3.37Å; V234-W269 HydrophobicContact CG1-CH2 4.07Å; V234-W269 HydrophobicContact CG1-CZ3 3.85Å
235L96.7Very high96.3Very high40 Ų4044.3 Ų44.321%0.20926%0.261CS..  trans-136.9142.7-178.8-68.8170.7000110R215 T232R215-L235 HydrophobicContact CG-CD1 4.12Å; T232-L235 HydrophobicContact CG2-CD2 4.49Å; T232-L235 WeakPolarHBondContact OG1-CD2 3.16Å
236P97.9Very high96.2Very high1 Ų145.3 Ų45.31%0.00627%0.268CS..PPolyproline II helixtrans-60.7152.4160.526.7-34.5000110.8F195 N214 W269 W278F195-P236 HydrophobicContact CE1-CG 4.4Å; F195-P236 HydrophobicContact CE2-CG 3.47Å; F195-P236 VanDerWaalsContact CE2-CG 3.47Å; F195-P236 HydrophobicContact CZ-CB 4Å; F195-P236 HydrophobicContact CZ-CG 3.36Å; N214-P236 WeakPolarHBondContact CB-O 3.27Å; P236-W269 HydrophobicContact CB-CB 4.41Å; P236-W269 HydrophobicContact CB-CD2 3.71Å; P236-W269 HydrophobicContact CB-CE3 4.33Å; P236-W269 HydrophobicContact CB-CG 3.72Å; P236-W269 HydrophobicContact CB-CZ2 4.37Å; P236-W269 HydrophobicContact CG-CD2 4.4Å; P236-W269 HydrophobicContact CG-CG 4.4Å; P236-W278 HydrophobicContact CG-CD2 4.04Å; P236-W278 HydrophobicContact CG-CE3 4.22Å; P236-W278 HydrophobicContact CG-CH2 4.34Å; P236-W278 HydrophobicContact CG-CZ2 4.11Å; P236-W278 HydrophobicContact CG-CZ3 4.39Å
237E98.3Very high96.2Very high94 Ų9445.8 Ų45.844%0.43927%0.27SS..PPolyproline II helixtrans-58.6145.7170.4-77-59.415700112.3R239 F265E237-R239 PolarHBondContact O-N 3.17Å; E237-R239 PolarHBondContact O-NE 2.84Å; E237-F265 HydrophobicContact CB-CE1 3.82Å; E237-F265 HydrophobicContact CB-CZ 3.66Å; E237-F265 HydrophobicContact CG-CE1 4.22Å; E237-F265 HydrophobicContact CG-CZ 4.35Å
238G98.2Very high96.1Very high3 Ų349 Ų493%0.03129%0.288CS..PPolyproline II helixtrans-62.2135.1175.300000110.3N258G238-N258 WeakPolarHBondContact O-CB 3.2Å; G238-N258 PolarHBondContact O-ND2 3.02Å
239R98.6Very high96.2Very high0 Ų044.1 Ų44.10%027%0.271CS..  trans-157.8155-171.361.2-171.673.1-164.20.9111.9F195 G196 G197 E237 H242 G255 Y257 F265 D267F195-R239 HydrophobicContact CE1-CG 3.94Å; F195-R239 HydrophobicContact CZ-CG 4.47Å; G196-R239 CarbonylContact C-O 3.57Å; G196-R239 VanDerWaalsContact CA-O 3.22Å; G196-R239 WeakPolarHBondContact CA-O 3.12Å; G197-R239 PolarHBondContact N-O 2.7Å; E237-R239 PolarHBondContact O-N 3.17Å; E237-R239 PolarHBondContact O-NE 2.84Å; R239-H242 HydrophobicContact CG-CB 4.25Å; R239-G255 WeakPolarHBondContact CD-O 3.32Å; R239-G255 PolarHBondContact NH1-O 2.88Å; R239-Y257 WeakPolarHBondContact CA-O 3.38Å; R239-F265 HydrophobicContact CB-CD2 4.08Å; R239-F265 HydrophobicContact CB-CE2 3.93Å; R239-D267 IonicContact CZ-OD1 2.93Å; R239-D267 IonicContact CZ-OD2 3.87Å; R239-D267 IonicContact NH1-OD1 2.7Å; R239-D267 PolarHBondContact NH1-OD1 2.82Å; R239-D267 IonicContact NH1-OD2 2.77Å; R239-D267 IonicContact NH2-OD1 2.66Å; R239-D267 PolarHBondContact NH2-OD1 2.91Å; R239-D267 IonicContact NH2-OD2 3.33Å; R239-D267 PolarHBondContact NH2-OD2 3.03Å
240R98.3Very high96.6Very high20 Ų2043.3 Ų43.38%0.07526%0.263CS..BIsolated β-bridgetrans-117.4165.7169.675173.8170.9150.6-5111.1F182 R198 Y212 H242 G256 Y257F182-R240 HydrophobicContact CB-CB 3.95Å; F182-R240 HydrophobicContact CB-CG 4.47Å; F182-R240 CarbonylContact O-C 3.55Å; F182-R240 WeakPolarHBondContact O-CA 3.47Å; R198-R240 HydrophobicContact CB-CB 4.37Å; Y212-R240 HydrophobicContact CD1-CB 4.3Å; Y212-R240 HydrophobicContact CD1-CG 4.46Å; Y212-R240 HydrophobicContact CE1-CB 4.12Å; Y212-R240 HydrophobicContact CE1-CG 3.84Å; R240-H242 PolarHBondContact O-N 3.14Å; R240-H242 VanDerWaalsContact O-N 3.08Å; R240-G256 CarbonylContact O-C 3.58Å; R240-G256 VanDerWaalsContact O-CA 3.27Å; R240-G256 WeakPolarHBondContact O-CA 3.34Å; R240-Y257 PolarHBondContact N-O 3.2Å; R240-Y257 PolarHBondContact O-N 2.83Å
241S98.3Very high96.8Very high9 Ų940.1 Ų40.16%0.06324%0.242CC..SBendtrans54.329.3174.5-53.10000113F182 R293F182-S241 PolarHBondContact O-N 2.89Å; S241-R293 PolarHBondContact O-N 3Å
242H98.8Very high97.2Very high15 Ų1534.9 Ų34.97%0.06921%0.206CC..  trans-80.2165.2166.861.5-78.8000109.5S184 F195 R239 R240 V253 F254 G255S184-H242 VanDerWaalsContact CB-NE2 3.33Å; S184-H242 WeakPolarHBondContact CB-NE2 3.4Å; S184-H242 PolarHBondContact OG-NE2 3.41Å; F195-H242 AromaticContact CD1-CE1 3.88Å; F195-H242 AromaticContact CD1-NE2 3.58Å; F195-H242 PolarHBondContact O-CE1 3.32Å; R239-H242 HydrophobicContact CG-CB 4.25Å; R240-H242 PolarHBondContact O-N 3.14Å; R240-H242 VanDerWaalsContact O-N 3.08Å; H242-V253 HydrophobicContact CB-CG1 4.16Å; H242-F254 WeakPolarHBondContact CB-O 3.2Å; H242-G255 VanDerWaalsContact CB-O 3.31Å; H242-G255 WeakPolarHBondContact CB-O 3.47Å
243S98.3Very high97.6Very high6 Ų633.9 Ų33.94%0.04220%0.2CC..EExtended strand (participates in β ladder)trans-99.7146.6168.6-40.90000109.7V253 F254 Q294 C296S243-V253 WeakPolarHBondContact O-CA 3.45Å; S243-F254 PolarHBondContact N-O 2.93Å; S243-F254 PolarHBondContact O-N 3.24Å; S243-Q294 VanDerWaalsContact OG-CG 3.31Å; S243-Q294 WeakPolarHBondContact OG-CG 3.09Å; S243-Q294 PolarHBondContact OG-NE2 3.19Å; S243-Q294 PolarHBondContact OG-O 2.91Å; S243-C296 WeakPolarHBondContact CB-SG 3.38Å
244A98.4Very high98Very high21 Ų2127.8 Ų27.817%0.17416%0.16CC..EExtended strand (participates in β ladder)trans-135.6146.817400000111S184 L251 Y252 V253S184-A244 VanDerWaalsContact CB-CB 3.45Å; S184-A244 WeakPolarHBondContact OG-CB 3.43Å; A244-L251 HydrophobicContact CB-CD1 4.15Å; A244-Y252 WeakPolarHBondContact CA-O 3.39Å; A244-Y252 WeakPolarHBondContact CB-O 3.39Å; A244-V253 HydrophobicContact CB-CG2 4.15Å
245F98.3Very high98.2Very high16 Ų1624 Ų247%0.0714%0.137CC..EExtended strand (participates in β ladder)trans-152.7154.1-179.959-89.7000110.8Y252 L268 C296 I303 L332 F334F245-Y252 HydrophobicContact CD2-CD2 4.27Å; F245-Y252 HydrophobicContact CD2-CG 4.29Å; F245-Y252 HydrophobicContact CE2-CD1 4.28Å; F245-Y252 AromaticContact CE2-CD2 3.81Å; F245-Y252 HydrophobicContact CE2-CD2 3.81Å; F245-Y252 AromaticContact CE2-CG 3.57Å; F245-Y252 HydrophobicContact CE2-CG 3.57Å; F245-Y252 HydrophobicContact CZ-CD1 4.22Å; F245-Y252 HydrophobicContact CZ-CD2 4.47Å; F245-Y252 AromaticContact CZ-CG 3.78Å; F245-Y252 HydrophobicContact CZ-CG 3.78Å; F245-Y252 PolarHBondContact N-O 3.45Å; F245-Y252 PolarHBondContact O-N 3.27Å; F245-L268 HydrophobicContact CE1-CD1 4.4Å; F245-L268 HydrophobicContact CZ-CD1 4.25Å; F245-C296 HydrophobicContact CD1-CB 4.46Å; F245-I303 HydrophobicContact CB-CD1 4.43Å; F245-I303 HydrophobicContact CD1-CD1 4.46Å; F245-I303 HydrophobicContact CD1-CG2 4.11Å; F245-I303 HydrophobicContact CD2-CD1 3.37Å; F245-I303 HydrophobicContact CD2-CG1 3.83Å; F245-I303 HydrophobicContact CE1-CG1 4.26Å; F245-I303 HydrophobicContact CE1-CG2 4.02Å; F245-I303 HydrophobicContact CE2-CD1 3.6Å; F245-I303 HydrophobicContact CE2-CG1 3.5Å; F245-I303 HydrophobicContact CG-CD1 3.85Å; F245-I303 HydrophobicContact CG-CG1 4.34Å; F245-I303 HydrophobicContact CG-CG2 4.49Å; F245-I303 HydrophobicContact CZ-CB 4.48Å; F245-I303 HydrophobicContact CZ-CD1 4.24Å; F245-I303 HydrophobicContact CZ-CG1 3.73Å; F245-I303 HydrophobicContact CZ-CG2 4.32Å; F245-L332 HydrophobicContact CZ-CD2 4.39Å; F245-F334 AromaticContact CE2-CE2 3.9Å; F245-F334 HydrophobicContact CE2-CE2 3.9Å; F245-F334 AromaticContact CE2-CZ 3.71Å; F245-F334 HydrophobicContact CE2-CZ 3.71Å; F245-F334 HydrophobicContact CZ-CE2 4.26Å; F245-F334 HydrophobicContact CZ-CZ 4.09Å
246S97.9Very high98.3Very high44 Ų4422.1 Ų22.131%0.30813%0.127SC..EExtended strand (participates in β ladder)trans-95.413917261.30000111.3E250S246-E250 CarbonylContact C-O 3.47Å; S246-E250 VanDerWaalsContact CA-O 3.28Å; S246-E250 WeakPolarHBondContact CA-O 3.38Å
247Y97.8Very high98.3Very high21 Ų2122.3 Ų22.38%0.08213%0.128CC..EExtended strand (participates in β ladder)trans-143.4128.3169-178-99.8000109.5G249 E250 D301 F334Y247-G249 VanDerWaalsContact C-N 3.28Å; Y247-G249 PolarHBondContact O-N 3.01Å; Y247-E250 PolarHBondContact N-O 2.96Å; Y247-E250 PolarHBondContact O-N 3.17Å; Y247-D301 HydrophobicContact CE2-CB 4.42Å; Y247-D301 VanDerWaalsContact CE2-OD1 3.3Å; Y247-D301 WeakPolarHBondContact CE2-OD1 3.38Å; Y247-D301 PolarHBondContact OH-OD1 3.31Å; Y247-F334 HydrophobicContact CD1-CB 4.34Å; Y247-F334 AromaticContact CD1-CD1 3.24Å; Y247-F334 HydrophobicContact CD1-CD1 3.24Å; Y247-F334 AromaticContact CD1-CE1 3.58Å; Y247-F334 HydrophobicContact CD1-CE1 3.58Å; Y247-F334 AromaticContact CD1-CG 3.78Å; Y247-F334 HydrophobicContact CD1-CG 3.78Å; Y247-F334 HydrophobicContact CD1-CZ 4.36Å; Y247-F334 HydrophobicContact CD2-CD2 4.48Å; Y247-F334 HydrophobicContact CD2-CG 4.29Å; Y247-F334 HydrophobicContact CE1-CB 3.62Å; Y247-F334 AromaticContact CE1-CD1 3.26Å; Y247-F334 HydrophobicContact CE1-CD1 3.26Å; Y247-F334 HydrophobicContact CE1-CE1 4.1Å; Y247-F334 AromaticContact CE1-CG 3.57Å; Y247-F334 HydrophobicContact CE1-CG 3.57Å; Y247-F334 HydrophobicContact CE2-CB 4.05Å; Y247-F334 HydrophobicContact CE2-CG 4.14Å; Y247-F334 AromaticContact CG-CD1 3.91Å; Y247-F334 HydrophobicContact CG-CD1 3.91Å; Y247-F334 HydrophobicContact CG-CD2 4.45Å; Y247-F334 HydrophobicContact CG-CE1 4.06Å; Y247-F334 HydrophobicContact CG-CG 4.12Å; Y247-F334 HydrophobicContact CG-CZ 4.4Å; Y247-F334 VanDerWaalsContact CZ-CB 3.46Å; Y247-F334 AromaticContact CZ-CD1 3.98Å; Y247-F334 AromaticContact CZ-CG 3.78Å
248N96.4Very high98.2Very high125 Ų12518.3 Ų18.367%0.66811%0.11SC*.THydrogen-bonded Turntrans47.344.8-178.8-66.9-7.5000114.7E250N248-E250 PolarHBondContact O-N 3.29Å
249G97.7Very high98.1Very high42 Ų4219.6 Ų19.643%0.43312%0.12SC..THydrogen-bonded Turntrans75.35.2178.600000115Y247 P273Y247-G249 VanDerWaalsContact C-N 3.28Å; Y247-G249 PolarHBondContact O-N 3.01Å; G249-P273 VanDerWaalsContact O-CD 3.31Å; G249-P273 WeakPolarHBondContact O-CD 3.48Å; G249-P273 WeakPolarHBondContact O-CG 3.36Å
250E98.4Very high97.9Very high30 Ų3027.6 Ų27.614%0.1415%0.15CC..EExtended strand (participates in β ladder)trans-111.3150.3176.8-60.5-175.5116.600110.5S246 Y247 N248 Y252 K270 N272S246-E250 CarbonylContact C-O 3.47Å; S246-E250 VanDerWaalsContact CA-O 3.28Å; S246-E250 WeakPolarHBondContact CA-O 3.38Å; Y247-E250 PolarHBondContact N-O 2.96Å; Y247-E250 PolarHBondContact O-N 3.17Å; N248-E250 PolarHBondContact O-N 3.29Å; E250-Y252 HydrophobicContact CB-CE2 3.99Å; E250-K270 HydrophobicContact CB-CD 4.38Å; E250-K270 HydrophobicContact CB-CG 4.19Å; E250-K270 VanDerWaalsContact OE1-CE 3.31Å; E250-K270 WeakPolarHBondContact OE1-CE 3.41Å; E250-K270 IonicContact OE1-NZ 2.68Å; E250-K270 PolarHBondContact OE1-NZ 2.77Å; E250-K270 VanDerWaalsContact OE2-CD 3.29Å; E250-K270 WeakPolarHBondContact OE2-CD 3.33Å; E250-K270 WeakPolarHBondContact OE2-CE 3.32Å; E250-K270 IonicContact OE2-NZ 3.17Å; E250-K270 PolarHBondContact OE2-NZ 3.4Å; E250-N272 PolarHBondContact OE1-ND2 3.17Å
251L98.7Very high97.7Very high0 Ų031 Ų310%017%0.169CC..EExtended strand (participates in β ladder)trans-96.4136.6177.1170.866.6000109.6T186 I188 I216 A244 K270 F271 W278T186-L251 HydrophobicContact CG2-CD1 3.98Å; I188-L251 HydrophobicContact CD1-CB 3.9Å; I216-L251 HydrophobicContact CD1-CD2 3.88Å; A244-L251 HydrophobicContact CB-CD1 4.15Å; L251-K270 CarbonylContact O-C 3.57Å; L251-K270 WeakPolarHBondContact O-CA 3.1Å; L251-F271 HydrophobicContact CB-CB 4.16Å; L251-F271 HydrophobicContact CB-CD1 4.4Å; L251-F271 PolarHBondContact N-O 3.26Å; L251-F271 PolarHBondContact O-N 3.47Å; L251-W278 HydrophobicContact CD2-CH2 4.38Å
252Y98.8Very high97.4Very high13 Ų1336.4 Ų36.45%0.05120%0.197CC..EExtended strand (participates in β ladder)trans-119.4145.3174.6-69.7-102.5000110.8A244 F245 E250 L268 W269 K270 I281 F334A244-Y252 WeakPolarHBondContact CA-O 3.39Å; A244-Y252 WeakPolarHBondContact CB-O 3.39Å; F245-Y252 HydrophobicContact CD2-CD2 4.27Å; F245-Y252 HydrophobicContact CD2-CG 4.29Å; F245-Y252 HydrophobicContact CE2-CD1 4.28Å; F245-Y252 AromaticContact CE2-CD2 3.81Å; F245-Y252 HydrophobicContact CE2-CD2 3.81Å; F245-Y252 AromaticContact CE2-CG 3.57Å; F245-Y252 HydrophobicContact CE2-CG 3.57Å; F245-Y252 HydrophobicContact CZ-CD1 4.22Å; F245-Y252 HydrophobicContact CZ-CD2 4.47Å; F245-Y252 AromaticContact CZ-CG 3.78Å; F245-Y252 HydrophobicContact CZ-CG 3.78Å; F245-Y252 PolarHBondContact N-O 3.45Å; F245-Y252 PolarHBondContact O-N 3.27Å; E250-Y252 HydrophobicContact CB-CE2 3.99Å; Y252-L268 HydrophobicContact CD1-CD1 4.11Å; Y252-L268 HydrophobicContact CD1-CD2 4.32Å; Y252-L268 HydrophobicContact CD1-CG 4.23Å; Y252-W269 CarbonylContact C-O 3.56Å; Y252-W269 WeakPolarHBondContact CA-O 3.19Å; Y252-K270 HydrophobicContact CD1-CB 4.05Å; Y252-K270 HydrophobicContact CD1-CG 4.21Å; Y252-K270 HydrophobicContact CD2-CG 4.5Å; Y252-K270 HydrophobicContact CE1-CB 3.82Å; Y252-K270 HydrophobicContact CE1-CD 3.71Å; Y252-K270 HydrophobicContact CE1-CG 3.73Å; Y252-K270 HydrophobicContact CE2-CD 4.12Å; Y252-K270 HydrophobicContact CE2-CG 4.01Å; Y252-K270 WeakPolarHBondContact OH-CD 3.25Å; Y252-I281 HydrophobicContact CE1-CG1 4.48Å; Y252-F334 HydrophobicContact CD1-CE1 4.47Å; Y252-F334 HydrophobicContact CD1-CZ 4.19Å; Y252-F334 AromaticContact CE1-CE1 3.73Å; Y252-F334 HydrophobicContact CE1-CE1 3.73Å; Y252-F334 AromaticContact CE1-CZ 3.89Å; Y252-F334 HydrophobicContact CE1-CZ 3.89Å; Y252-F334 HydrophobicContact CE2-CE1 4.09Å; Y252-F334 HydrophobicContact CE2-CZ 4.33Å; Y252-F334 HydrophobicContact CG-CZ 4.5Å; Y252-F334 AromaticContact CZ-CE1 3.51Å; Y252-F334 AromaticContact CZ-CZ 3.98Å; Y252-F334 WeakPolarHBondContact OH-CE1 3.12Å
253V98.8Very high97.3Very high0 Ų042.4 Ų42.40%022%0.219CC..EExtended strand (participates in β ladder)trans-130.8130.5176.6168.90000109.2F195 H242 S243 A244 L268 W269 W278F195-V253 HydrophobicContact CD1-CB 4.46Å; F195-V253 HydrophobicContact CD1-CG1 4.07Å; F195-V253 HydrophobicContact CD1-CG2 3.67Å; F195-V253 HydrophobicContact CE1-CB 4.47Å; F195-V253 HydrophobicContact CE1-CG1 3.79Å; F195-V253 HydrophobicContact CE1-CG2 4.14Å; F195-V253 HydrophobicContact CG-CG2 4.27Å; H242-V253 HydrophobicContact CB-CG1 4.16Å; S243-V253 WeakPolarHBondContact O-CA 3.45Å; A244-V253 HydrophobicContact CB-CG2 4.15Å; V253-L268 WeakPolarHBondContact O-CA 3.37Å; V253-W269 PolarHBondContact N-O 2.94Å; V253-W269 PolarHBondContact O-N 3.04Å; V253-W278 HydrophobicContact CB-CH2 4.41Å; V253-W278 HydrophobicContact CB-CZ3 4.43Å; V253-W278 HydrophobicContact CG2-CH2 3.78Å; V253-W278 HydrophobicContact CG2-CZ3 4.22Å
254F98.8Very high97.2Very high4 Ų443.1 Ų43.12%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-129.2136.3178.2179.6-89.1000112.1W4 H242 S243 H266 D267 L268 P288 R291 Q294 L305W4-F254 HydrophobicContact CH2-CE2 4.34Å; W4-F254 HydrophobicContact CZ2-CD2 4.18Å; W4-F254 AromaticContact CZ2-CE2 3.79Å; W4-F254 HydrophobicContact CZ2-CE2 3.79Å; W4-F254 HydrophobicContact CZ2-CZ 4.35Å; H242-F254 WeakPolarHBondContact CB-O 3.2Å; S243-F254 PolarHBondContact N-O 2.93Å; S243-F254 PolarHBondContact O-N 3.24Å; F254-H266 WeakPolarHBondContact CE2-O 3.03Å; F254-H266 HydrophobicContact CZ-CB 4.4Å; F254-D267 WeakPolarHBondContact CA-O 3.26Å; F254-L268 HydrophobicContact CB-CD1 4.06Å; F254-L268 HydrophobicContact CD2-CB 4.35Å; F254-L268 HydrophobicContact CD2-CD1 4.38Å; F254-P288 HydrophobicContact CE1-CB 4.27Å; F254-P288 HydrophobicContact CE1-CG 4.05Å; F254-P288 HydrophobicContact CE2-CG 4.41Å; F254-P288 HydrophobicContact CZ-CB 3.88Å; F254-P288 HydrophobicContact CZ-CG 3.59Å; F254-R291 HydrophobicContact CE1-CG 4.34Å; F254-Q294 PolarHBondContact O-NE2 3.37Å; F254-L305 HydrophobicContact CD1-CD1 3.28Å; F254-L305 HydrophobicContact CE1-CD1 3.5Å; F254-L305 VanDerWaalsContact CE1-CD1 3.5Å; F254-L305 HydrophobicContact CG-CD1 4Å; F254-L305 HydrophobicContact CZ-CD1 4.37Å
255G98.5Very high97.2Very high0 Ų042.4 Ų42.40%022%0.215CC..  trans67.4-151.3170.500000113.6R239 H242 F265 D267R239-G255 WeakPolarHBondContact CD-O 3.32Å; R239-G255 PolarHBondContact NH1-O 2.88Å; H242-G255 VanDerWaalsContact CB-O 3.31Å; H242-G255 WeakPolarHBondContact CB-O 3.47Å; G255-F265 VanDerWaalsContact CA-O 3.23Å; G255-F265 WeakPolarHBondContact CA-O 3.31Å; G255-D267 PolarHBondContact N-O 3.36Å
256G98.4Very high97.2Very high0 Ų046.7 Ų46.70%024%0.235CC..  trans104.3-175.5-17800000113.5R240 H264 F265 R291R240-G256 CarbonylContact O-C 3.58Å; R240-G256 VanDerWaalsContact O-CA 3.27Å; R240-G256 WeakPolarHBondContact O-CA 3.34Å; G256-H264 WeakPolarHBondContact O-CA 3.43Å; G256-F265 WeakPolarHBondContact O-CD2 3.13Å; G256-F265 PolarHBondContact O-N 2.96Å; G256-R291 PolarHBondContact N-O 2.92Å
257Y98Very high97.2Very high6 Ų645.7 Ų45.72%0.02423%0.226CC..EExtended strand (participates in β ladder)trans-141.7147.4-177.5175.3-109.2000112.7R239 R240 A259 N262 R263 H264 R292 E320R239-Y257 WeakPolarHBondContact CA-O 3.38Å; R240-Y257 PolarHBondContact N-O 3.2Å; R240-Y257 PolarHBondContact O-N 2.83Å; Y257-A259 HydrophobicContact CD1-CB 4.39Å; Y257-A259 VanDerWaalsContact CE1-CA 3.44Å; Y257-A259 HydrophobicContact CE1-CB 3.56Å; Y257-N262 PolarHBondContact OH-OD1 2.83Å; Y257-R263 WeakPolarHBondContact CA-O 3.46Å; Y257-R263 VanDerWaalsContact CD2-C 3.49Å; Y257-R263 WeakPolarHBondContact CD2-O 3.44Å; Y257-H264 AromaticContact CD2-CD2 3.83Å; Y257-H264 AromaticContact CD2-CE1 3.38Å; Y257-H264 WeakPolarHBondContact CD2-CE1 3.23Å; Y257-H264 AromaticContact CD2-CG 3.75Å; Y257-H264 AromaticContact CD2-ND1 3.46Å; Y257-H264 WeakPolarHBondContact CD2-ND1 3.26Å; Y257-H264 AromaticContact CD2-NE2 3.58Å; Y257-H264 AromaticContact CE2-CE1 3.5Å; Y257-H264 VanDerWaalsContact CE2-CE1 3.5Å; Y257-H264 WeakPolarHBondContact CE2-CE1 3.46Å; Y257-H264 AromaticContact CE2-ND1 3.69Å; Y257-R292 VanDerWaalsContact CB-CD 3.45Å; Y257-E320 PolarHBondContact OH-OE1 2.81Å
258N97.8Very high97.3Very high10 Ų1044.9 Ų44.95%0.05322%0.223CC..EExtended strand (participates in β ladder)trans-127.5110.9170.7-176.4-32.9000109.1Y212 G238 R260 L261 N262 R263 F265Y212-N258 WeakPolarHBondContact CD2-OD1 3.49Å; G238-N258 WeakPolarHBondContact O-CB 3.2Å; G238-N258 PolarHBondContact O-ND2 3.02Å; N258-R260 VanDerWaalsContact C-N 3.32Å; N258-R260 PolarHBondContact O-N 3.14Å; N258-R260 WeakPolarHBondContact OD1-CB 3.16Å; N258-R260 PolarHBondContact OD1-N 3.06Å; N258-L261 HydrophobicContact CB-CB 4.31Å; N258-L261 HydrophobicContact CB-CD1 4.35Å; N258-L261 HydrophobicContact CB-CG 4.4Å; N258-L261 PolarHBondContact O-N 2.88Å; N258-L261 PolarHBondContact OD1-N 3.06Å; N258-N262 PolarHBondContact O-N 2.9Å; N258-R263 PolarHBondContact N-O 2.97Å; N258-R263 PolarHBondContact O-N 2.82Å; N258-R263 VanDerWaalsContact O-N 3.07Å; N258-F265 HydrophobicContact CB-CE2 3.8Å; N258-F265 HydrophobicContact CB-CZ 4.13Å
259A94.4Very high97.4Very high29 Ų2940.1 Ų40.124%0.2420%0.196CC..G310 helixtrans-66.8-33.3-177.300000112.8Y212 Y257 L261 N262Y212-A259 HydrophobicContact CE2-CB 4.19Å; Y212-A259 WeakPolarHBondContact OH-CB 3.28Å; Y257-A259 HydrophobicContact CD1-CB 4.39Å; Y257-A259 VanDerWaalsContact CE1-CA 3.44Å; Y257-A259 HydrophobicContact CE1-CB 3.56Å; A259-L261 PolarHBondContact O-N 2.75Å; A259-N262 PolarHBondContact O-N 2.81Å
260R94.3Very high97.4Very high169 Ų16939.3 Ų39.364%0.63818%0.181SC*.G310 helixtrans-65.9-26.3178.3-68.2-173.164-163.6-4.7112.9E210 Y212 N258E210-R260 WeakPolarHBondContact O-CD 3.45Å; Y212-R260 HydrophobicContact CD2-CG 4.21Å; Y212-R260 HydrophobicContact CE2-CG 4.05Å; N258-R260 VanDerWaalsContact C-N 3.32Å; N258-R260 PolarHBondContact O-N 3.14Å; N258-R260 WeakPolarHBondContact OD1-CB 3.16Å; N258-R260 PolarHBondContact OD1-N 3.06Å
261L95.1Very high97.5Very high91 Ų9137.9 Ų37.948%0.47617%0.174SC..G310 helixtrans-99.9-2.4176-57.6-179.5000112.3N258 A259 R263N258-L261 HydrophobicContact CB-CB 4.31Å; N258-L261 HydrophobicContact CB-CD1 4.35Å; N258-L261 HydrophobicContact CB-CG 4.4Å; N258-L261 PolarHBondContact O-N 2.88Å; N258-L261 PolarHBondContact OD1-N 3.06Å; A259-L261 PolarHBondContact O-N 2.75Å; L261-R263 HydrophobicContact CB-CB 3.94Å; L261-R263 PolarHBondContact O-N 2.89Å
262N92.6Very high97.4Very high123 Ų12339.9 Ų39.966%0.65818%0.184SC*.THydrogen-bonded Turntrans4147.5-166.4-168.319.1000112.7Y257 N258 A259Y257-N262 PolarHBondContact OH-OD1 2.83Å; N258-N262 PolarHBondContact O-N 2.9Å; A259-N262 PolarHBondContact O-N 2.81Å
263R95.6Very high97.4Very high141 Ų14140.5 Ų40.553%0.53219%0.19SC..EExtended strand (participates in β ladder)trans-126.3121.2-168.8-171.2172.8-174.7-178.55112.3Y257 N258 L261 F265Y257-R263 WeakPolarHBondContact CA-O 3.46Å; Y257-R263 VanDerWaalsContact CD2-C 3.49Å; Y257-R263 WeakPolarHBondContact CD2-O 3.44Å; N258-R263 PolarHBondContact N-O 2.97Å; N258-R263 PolarHBondContact O-N 2.82Å; N258-R263 VanDerWaalsContact O-N 3.07Å; L261-R263 HydrophobicContact CB-CB 3.94Å; L261-R263 PolarHBondContact O-N 2.89Å; R263-F265 HydrophobicContact CB-CZ 4.33Å; R263-F265 HydrophobicContact CG-CD1 4.33Å; R263-F265 HydrophobicContact CG-CE1 4.01Å; R263-F265 HydrophobicContact CG-CZ 4.21Å
264H97.4Very high97.2Very high21 Ų2147.2 Ų47.210%0.09723%0.231CC..EExtended strand (participates in β ladder)trans-85.5143.1163.2-67.780.7000109.7G256 Y257 P290 R292 P311G256-H264 WeakPolarHBondContact O-CA 3.43Å; Y257-H264 AromaticContact CD2-CD2 3.83Å; Y257-H264 AromaticContact CD2-CE1 3.38Å; Y257-H264 WeakPolarHBondContact CD2-CE1 3.23Å; Y257-H264 AromaticContact CD2-CG 3.75Å; Y257-H264 AromaticContact CD2-ND1 3.46Å; Y257-H264 WeakPolarHBondContact CD2-ND1 3.26Å; Y257-H264 AromaticContact CD2-NE2 3.58Å; Y257-H264 AromaticContact CE2-CE1 3.5Å; Y257-H264 VanDerWaalsContact CE2-CE1 3.5Å; Y257-H264 WeakPolarHBondContact CE2-CE1 3.46Å; Y257-H264 AromaticContact CE2-ND1 3.69Å; H264-P290 HydrophobicContact CB-CB 3.72Å; H264-R292 WeakPolarHBondContact NE2-CD 3.43Å; H264-P311 HydrophobicContact CB-CG 4.4Å; H264-P311 WeakPolarHBondContact ND1-CG 3.45Å
265F98.4Very high97.1Very high5 Ų550.5 Ų50.52%0.02225%0.254CS..  trans-112.1154.4-177.1-60.9-79.5000111.4E237 R239 G255 G256 N258 R263 D267 P290 R291E237-F265 HydrophobicContact CB-CE1 3.82Å; E237-F265 HydrophobicContact CB-CZ 3.66Å; E237-F265 HydrophobicContact CG-CE1 4.22Å; E237-F265 HydrophobicContact CG-CZ 4.35Å; R239-F265 HydrophobicContact CB-CD2 4.08Å; R239-F265 HydrophobicContact CB-CE2 3.93Å; G255-F265 VanDerWaalsContact CA-O 3.23Å; G255-F265 WeakPolarHBondContact CA-O 3.31Å; G256-F265 WeakPolarHBondContact O-CD2 3.13Å; G256-F265 PolarHBondContact O-N 2.96Å; N258-F265 HydrophobicContact CB-CE2 3.8Å; N258-F265 HydrophobicContact CB-CZ 4.13Å; R263-F265 HydrophobicContact CB-CZ 4.33Å; R263-F265 HydrophobicContact CG-CD1 4.33Å; R263-F265 HydrophobicContact CG-CE1 4.01Å; R263-F265 HydrophobicContact CG-CZ 4.21Å; F265-D267 WeakPolarHBondContact CB-OD1 3.46Å; F265-P290 CarbonylContact O-C 3.58Å; F265-P290 VanDerWaalsContact O-CA 3.3Å; F265-P290 WeakPolarHBondContact O-CA 3.27Å; F265-R291 PolarHBondContact O-N 2.85Å
266H97.9Very high97Very high106 Ų10652 Ų5249%0.49126%0.261SS..  trans-136.88.1170.664-81.4000111.8F254 P290F254-H266 WeakPolarHBondContact CE2-O 3.03Å; F254-H266 HydrophobicContact CZ-CB 4.4Å; H266-P290 HydrophobicContact CB-CB 4.44Å; H266-P290 HydrophobicContact CB-CG 4.34Å
267D98.4Very high97Very high23 Ų2354.4 Ų54.412%0.12328%0.278CS..  trans-73.3146.1179.453-8.7000110.7R239 F254 G255 F265 W269R239-D267 IonicContact CZ-OD1 2.93Å; R239-D267 IonicContact CZ-OD2 3.87Å; R239-D267 IonicContact NH1-OD1 2.7Å; R239-D267 PolarHBondContact NH1-OD1 2.82Å; R239-D267 IonicContact NH1-OD2 2.77Å; R239-D267 IonicContact NH2-OD1 2.66Å; R239-D267 PolarHBondContact NH2-OD1 2.91Å; R239-D267 IonicContact NH2-OD2 3.33Å; R239-D267 PolarHBondContact NH2-OD2 3.03Å; F254-D267 WeakPolarHBondContact CA-O 3.26Å; G255-D267 PolarHBondContact N-O 3.36Å; F265-D267 WeakPolarHBondContact CB-OD1 3.46Å; D267-W269 VanDerWaalsContact CG-NE1 3.31Å; D267-W269 PolarHBondContact OD2-NE1 2.79Å
268L98.8Very high97Very high5 Ų554.9 Ų54.93%0.02628%0.28CS..EExtended strand (participates in β ladder)trans-104.7121.9171.8-177.366.3000108.8L2 F245 Y252 V253 F254 I281 P283 L332L2-L268 HydrophobicContact CD2-CD2 4.1Å; F245-L268 HydrophobicContact CE1-CD1 4.4Å; F245-L268 HydrophobicContact CZ-CD1 4.25Å; Y252-L268 HydrophobicContact CD1-CD1 4.11Å; Y252-L268 HydrophobicContact CD1-CD2 4.32Å; Y252-L268 HydrophobicContact CD1-CG 4.23Å; V253-L268 WeakPolarHBondContact O-CA 3.37Å; F254-L268 HydrophobicContact CB-CD1 4.06Å; F254-L268 HydrophobicContact CD2-CB 4.35Å; F254-L268 HydrophobicContact CD2-CD1 4.38Å; L268-I281 HydrophobicContact CB-CB 4.41Å; L268-I281 HydrophobicContact CD2-CB 4.11Å; L268-I281 HydrophobicContact CD2-CG2 4.05Å; L268-I281 HydrophobicContact CG-CB 4.21Å; L268-I281 PolarHBondContact O-N 3.4Å; L268-P283 HydrophobicContact CD2-CG 3.65Å; L268-L332 HydrophobicContact CD2-CD2 3.83Å
269W98.8Very high97Very high25 Ų2561.4 Ų61.410%0.09530%0.303CS..EExtended strand (participates in β ladder)trans-112146175.4-74.386.3000110.6V234 P236 Y252 V253 D267 W278 K280V234-W269 HydrophobicContact CG1-CH2 4.07Å; V234-W269 HydrophobicContact CG1-CZ3 3.85Å; P236-W269 HydrophobicContact CB-CB 4.41Å; P236-W269 HydrophobicContact CB-CD2 3.71Å; P236-W269 HydrophobicContact CB-CE3 4.33Å; P236-W269 HydrophobicContact CB-CG 3.72Å; P236-W269 HydrophobicContact CB-CZ2 4.37Å; P236-W269 HydrophobicContact CG-CD2 4.4Å; P236-W269 HydrophobicContact CG-CG 4.4Å; Y252-W269 CarbonylContact C-O 3.56Å; Y252-W269 WeakPolarHBondContact CA-O 3.19Å; V253-W269 PolarHBondContact N-O 2.94Å; V253-W269 PolarHBondContact O-N 3.04Å; D267-W269 VanDerWaalsContact CG-NE1 3.31Å; D267-W269 PolarHBondContact OD2-NE1 2.79Å; W269-W278 HydrophobicContact CB-CE3 3.75Å; W269-W278 HydrophobicContact CB-CZ3 3.71Å; W269-W278 HydrophobicContact CE3-CB 4.08Å; W269-W278 HydrophobicContact CE3-CE3 4.42Å; W269-W278 HydrophobicContact CZ3-CB 4.25Å; W269-K280 HydrophobicContact CD2-CB 4.13Å; W269-K280 HydrophobicContact CD2-CG 4.3Å; W269-K280 HydrophobicContact CE3-CB 4.05Å; W269-K280 HydrophobicContact CH2-CB 3.93Å; W269-K280 HydrophobicContact CZ2-CB 3.99Å; W269-K280 HydrophobicContact CZ2-CD 4.2Å; W269-K280 HydrophobicContact CZ2-CG 4.11Å; W269-K280 HydrophobicContact CZ3-CB 3.95Å
270K98.4Very high97.2Very high25 Ų2564.5 Ų64.511%0.10931%0.312CS..EExtended strand (participates in β ladder)trans-121.8129.9175.1-174.817985144.40110E250 L251 Y252 W278 R279 I281E250-K270 HydrophobicContact CB-CD 4.38Å; E250-K270 HydrophobicContact CB-CG 4.19Å; E250-K270 VanDerWaalsContact OE1-CE 3.31Å; E250-K270 WeakPolarHBondContact OE1-CE 3.41Å; E250-K270 IonicContact OE1-NZ 2.68Å; E250-K270 PolarHBondContact OE1-NZ 2.77Å; E250-K270 VanDerWaalsContact OE2-CD 3.29Å; E250-K270 WeakPolarHBondContact OE2-CD 3.33Å; E250-K270 WeakPolarHBondContact OE2-CE 3.32Å; E250-K270 IonicContact OE2-NZ 3.17Å; E250-K270 PolarHBondContact OE2-NZ 3.4Å; L251-K270 CarbonylContact O-C 3.57Å; L251-K270 WeakPolarHBondContact O-CA 3.1Å; Y252-K270 HydrophobicContact CD1-CB 4.05Å; Y252-K270 HydrophobicContact CD1-CG 4.21Å; Y252-K270 HydrophobicContact CD2-CG 4.5Å; Y252-K270 HydrophobicContact CE1-CB 3.82Å; Y252-K270 HydrophobicContact CE1-CD 3.71Å; Y252-K270 HydrophobicContact CE1-CG 3.73Å; Y252-K270 HydrophobicContact CE2-CD 4.12Å; Y252-K270 HydrophobicContact CE2-CG 4.01Å; Y252-K270 WeakPolarHBondContact OH-CD 3.25Å; K270-W278 VanDerWaalsContact C-CE3 3.46Å; K270-W278 CarbonylContact O-C 3.57Å; K270-W278 VanDerWaalsContact O-CA 3.32Å; K270-W278 WeakPolarHBondContact O-CA 3.4Å; K270-R279 PolarHBondContact N-O 2.9Å; K270-R279 PolarHBondContact O-N 3.07Å; K270-I281 HydrophobicContact CB-CD1 3.93Å; K270-I281 HydrophobicContact CB-CG1 3.63Å; K270-I281 HydrophobicContact CD-CD1 4.3Å
271F98.7Very high97.4Very high0 Ų057.6 Ų57.60%029%0.287CS..EExtended strand (participates in β ladder)trans-109.9128.5172177.9-105.4000109.9Y193 I216 L251 P273 F276 S277 W278Y193-F271 HydrophobicContact CD1-CD1 4.44Å; Y193-F271 AromaticContact CD1-CE1 3.88Å; Y193-F271 HydrophobicContact CD1-CE1 3.88Å; Y193-F271 AromaticContact CE1-CE1 3.9Å; Y193-F271 HydrophobicContact CE1-CE1 3.9Å; I216-F271 HydrophobicContact CD1-CB 3.96Å; I216-F271 HydrophobicContact CD1-CD1 3.37Å; I216-F271 HydrophobicContact CD1-CD2 3.59Å; I216-F271 HydrophobicContact CD1-CE1 3.59Å; I216-F271 HydrophobicContact CD1-CE2 3.81Å; I216-F271 HydrophobicContact CD1-CG 3.35Å; I216-F271 HydrophobicContact CD1-CZ 3.8Å; I216-F271 HydrophobicContact CG2-CE1 4.44Å; I216-F271 HydrophobicContact CG2-CZ 4.36Å; L251-F271 HydrophobicContact CB-CB 4.16Å; L251-F271 HydrophobicContact CB-CD1 4.4Å; L251-F271 PolarHBondContact N-O 3.26Å; L251-F271 PolarHBondContact O-N 3.47Å; F271-P273 HydrophobicContact CD1-CG 4.19Å; F271-P273 HydrophobicContact CE1-CB 4.25Å; F271-P273 HydrophobicContact CE1-CG 4.2Å; F271-P273 WeakPolarHBondContact O-CD 3.43Å; F271-F276 HydrophobicContact CE2-CD1 4.41Å; F271-F276 HydrophobicContact CE2-CD2 4.38Å; F271-F276 HydrophobicContact CE2-CG 4.29Å; F271-F276 HydrophobicContact CZ-CD1 4.4Å; F271-F276 AromaticContact CZ-CD2 3.62Å; F271-F276 HydrophobicContact CZ-CD2 3.62Å; F271-F276 HydrophobicContact CZ-CE1 4.45Å; F271-F276 AromaticContact CZ-CE2 3.71Å; F271-F276 HydrophobicContact CZ-CE2 3.71Å; F271-F276 AromaticContact CZ-CG 3.96Å; F271-F276 HydrophobicContact CZ-CG 3.96Å; F271-F276 HydrophobicContact CZ-CZ 4.1Å; F271-S277 WeakPolarHBondContact CA-O 3.37Å; F271-W278 HydrophobicContact CB-CD2 3.71Å; F271-W278 HydrophobicContact CB-CE3 3.58Å; F271-W278 HydrophobicContact CB-CH2 3.72Å; F271-W278 HydrophobicContact CB-CZ2 3.88Å; F271-W278 HydrophobicContact CB-CZ3 3.57Å; F271-W278 AromaticContact CD2-CD1 3.75Å; F271-W278 AromaticContact CD2-CD2 3.89Å; F271-W278 HydrophobicContact CD2-CD2 3.89Å; F271-W278 AromaticContact CD2-CE2 3.7Å; F271-W278 AromaticContact CD2-CG 3.98Å; F271-W278 HydrophobicContact CD2-CG 3.98Å; F271-W278 HydrophobicContact CD2-CZ2 4.33Å; F271-W278 AromaticContact CD2-NE1 3.57Å; F271-W278 HydrophobicContact CG-CD2 4.26Å; F271-W278 HydrophobicContact CG-CZ2 4.28Å
272N98Very high97.5Very high41 Ų4159.7 Ų59.722%0.21929%0.294CS..EExtended strand (participates in β ladder)trans-97.3115172.8-174.2-61.9000109.1E250 V274 S275 F276 S277E250-N272 PolarHBondContact OE1-ND2 3.17Å; N272-V274 VanDerWaalsContact C-N 3.3Å; N272-V274 PolarHBondContact O-N 3.06Å; N272-V274 WeakPolarHBondContact OD1-CA 3.01Å; N272-V274 WeakPolarHBondContact OD1-CB 3.37Å; N272-V274 PolarHBondContact OD1-N 3.14Å; N272-S275 WeakPolarHBondContact CB-OG 3.32Å; N272-S275 PolarHBondContact OD1-N 3.03Å; N272-S275 PolarHBondContact OD1-OG 3.2Å; N272-F276 VanDerWaalsContact O-CA 3.27Å; N272-F276 WeakPolarHBondContact O-CA 3.38Å; N272-F276 PolarHBondContact O-N 3.27Å; N272-S277 PolarHBondContact N-O 3.4Å; N272-S277 PolarHBondContact O-N 3.39Å
273P97.4Very high97.7Very high26 Ų2655 Ų5517%0.16927%0.271CS..THydrogen-bonded Turntrans-67-25.1-179.4-24.636.1000115.2I188 Y193 G249 F271I188-P273 HydrophobicContact CD1-CG 4.07Å; Y193-P273 HydrophobicContact CE1-CB 3.97Å; Y193-P273 HydrophobicContact CE1-CG 4.26Å; Y193-P273 WeakPolarHBondContact OH-CB 3.37Å; G249-P273 VanDerWaalsContact O-CD 3.31Å; G249-P273 WeakPolarHBondContact O-CD 3.48Å; G249-P273 WeakPolarHBondContact O-CG 3.36Å; F271-P273 HydrophobicContact CD1-CG 4.19Å; F271-P273 HydrophobicContact CE1-CB 4.25Å; F271-P273 HydrophobicContact CE1-CG 4.2Å; F271-P273 WeakPolarHBondContact O-CD 3.43Å
274V95.9Very high97.8Very high141 Ų14154 Ų5486%0.85527%0.27SS*.THydrogen-bonded Turntrans-77-50.2-178179.90000110.7N272 F276N272-V274 VanDerWaalsContact C-N 3.3Å; N272-V274 PolarHBondContact O-N 3.06Å; N272-V274 WeakPolarHBondContact OD1-CA 3.01Å; N272-V274 WeakPolarHBondContact OD1-CB 3.37Å; N272-V274 PolarHBondContact OD1-N 3.14Å; V274-F276 VanDerWaalsContact C-N 3.28Å
275S96.1Very high97.6Very high74 Ų7455.1 Ų55.152%0.51729%0.288SS..THydrogen-bonded Turntrans-84.5-3.9176.963.70000113.4N272 S277N272-S275 WeakPolarHBondContact CB-OG 3.32Å; N272-S275 PolarHBondContact OD1-N 3.03Å; N272-S275 PolarHBondContact OD1-OG 3.2Å; S275-S277 VanDerWaalsContact C-N 3.3Å; S275-S277 PolarHBondContact O-N 2.98Å; S275-S277 PolarHBondContact OG-OG 3.37Å
276F97.2Very high97.5Very high30 Ų3063.8 Ų63.813%0.13233%0.325CS..THydrogen-bonded Turntrans50.446.8-177.6-153.1-92.7000112.8I216 V218 S229 P230 T232 F271 N272 V274I216-F276 HydrophobicContact CG2-CZ 4.33Å; V218-F276 HydrophobicContact CG2-CE2 4.07Å; S229-F276 WeakPolarHBondContact OG-CZ 3.42Å; P230-F276 HydrophobicContact CB-CD1 3.83Å; P230-F276 HydrophobicContact CB-CE1 4.44Å; P230-F276 HydrophobicContact CB-CG 4.25Å; P230-F276 HydrophobicContact CG-CB 4.25Å; P230-F276 HydrophobicContact CG-CD1 3.96Å; P230-F276 HydrophobicContact CG-CD2 4.43Å; P230-F276 HydrophobicContact CG-CG 3.95Å; P230-F276 VanDerWaalsContact O-CE1 3.23Å; P230-F276 WeakPolarHBondContact O-CE1 3.47Å; T232-F276 HydrophobicContact CG2-CD1 3.65Å; T232-F276 HydrophobicContact CG2-CE1 3.82Å; T232-F276 WeakPolarHBondContact CG2-O 3.46Å; F271-F276 HydrophobicContact CE2-CD1 4.41Å; F271-F276 HydrophobicContact CE2-CD2 4.38Å; F271-F276 HydrophobicContact CE2-CG 4.29Å; F271-F276 HydrophobicContact CZ-CD1 4.4Å; F271-F276 AromaticContact CZ-CD2 3.62Å; F271-F276 HydrophobicContact CZ-CD2 3.62Å; F271-F276 HydrophobicContact CZ-CE1 4.45Å; F271-F276 AromaticContact CZ-CE2 3.71Å; F271-F276 HydrophobicContact CZ-CE2 3.71Å; F271-F276 AromaticContact CZ-CG 3.96Å; F271-F276 HydrophobicContact CZ-CG 3.96Å; F271-F276 HydrophobicContact CZ-CZ 4.1Å; N272-F276 VanDerWaalsContact O-CA 3.27Å; N272-F276 WeakPolarHBondContact O-CA 3.38Å; N272-F276 PolarHBondContact O-N 3.27Å; V274-F276 VanDerWaalsContact C-N 3.28Å
277S97.4Very high97.4Very high52 Ų5259.9 Ų59.936%0.36431%0.313SS..EExtended strand (participates in β ladder)trans-135.7143.5-171.365.50000112.9F271 N272 S275F271-S277 WeakPolarHBondContact CA-O 3.37Å; N272-S277 PolarHBondContact N-O 3.4Å; N272-S277 PolarHBondContact O-N 3.39Å; S275-S277 VanDerWaalsContact C-N 3.3Å; S275-S277 PolarHBondContact O-N 2.98Å; S275-S277 PolarHBondContact OG-OG 3.37Å
278W98.5Very high97.3Very high15 Ų1559 Ų596%0.05731%0.309CS..EExtended strand (participates in β ladder)trans-93.6149172.2-7397.2000112.6F195 I216 P236 L251 V253 W269 K270 F271F195-W278 HydrophobicContact CD2-CH2 4.16Å; F195-W278 AromaticContact CD2-CZ2 3.6Å; F195-W278 HydrophobicContact CD2-CZ2 3.6Å; F195-W278 HydrophobicContact CE2-CH2 4.41Å; F195-W278 AromaticContact CE2-CZ2 3.87Å; F195-W278 HydrophobicContact CE2-CZ2 3.87Å; F195-W278 HydrophobicContact CG-CH2 4.32Å; F195-W278 HydrophobicContact CG-CZ2 4.17Å; I216-W278 HydrophobicContact CD1-CH2 4.05Å; I216-W278 HydrophobicContact CD1-CZ2 3.26Å; I216-W278 HydrophobicContact CG1-CZ2 3.63Å; P236-W278 HydrophobicContact CG-CD2 4.04Å; P236-W278 HydrophobicContact CG-CE3 4.22Å; P236-W278 HydrophobicContact CG-CH2 4.34Å; P236-W278 HydrophobicContact CG-CZ2 4.11Å; P236-W278 HydrophobicContact CG-CZ3 4.39Å; L251-W278 HydrophobicContact CD2-CH2 4.38Å; V253-W278 HydrophobicContact CB-CH2 4.41Å; V253-W278 HydrophobicContact CB-CZ3 4.43Å; V253-W278 HydrophobicContact CG2-CH2 3.78Å; V253-W278 HydrophobicContact CG2-CZ3 4.22Å; W269-W278 HydrophobicContact CB-CE3 3.75Å; W269-W278 HydrophobicContact CB-CZ3 3.71Å; W269-W278 HydrophobicContact CE3-CB 4.08Å; W269-W278 HydrophobicContact CE3-CE3 4.42Å; W269-W278 HydrophobicContact CZ3-CB 4.25Å; K270-W278 VanDerWaalsContact C-CE3 3.46Å; K270-W278 CarbonylContact O-C 3.57Å; K270-W278 VanDerWaalsContact O-CA 3.32Å; K270-W278 WeakPolarHBondContact O-CA 3.4Å; F271-W278 HydrophobicContact CB-CD2 3.71Å; F271-W278 HydrophobicContact CB-CE3 3.58Å; F271-W278 HydrophobicContact CB-CH2 3.72Å; F271-W278 HydrophobicContact CB-CZ2 3.88Å; F271-W278 HydrophobicContact CB-CZ3 3.57Å; F271-W278 AromaticContact CD2-CD1 3.75Å; F271-W278 AromaticContact CD2-CD2 3.89Å; F271-W278 HydrophobicContact CD2-CD2 3.89Å; F271-W278 AromaticContact CD2-CE2 3.7Å; F271-W278 AromaticContact CD2-CG 3.98Å; F271-W278 HydrophobicContact CD2-CG 3.98Å; F271-W278 HydrophobicContact CD2-CZ2 4.33Å; F271-W278 AromaticContact CD2-NE1 3.57Å; F271-W278 HydrophobicContact CG-CD2 4.26Å; F271-W278 HydrophobicContact CG-CZ2 4.28Å
279R97.9Very high97.2Very high147 Ų14760.9 Ų60.956%0.55532%0.322SS*.EExtended strand (participates in β ladder)trans-141.7131.6169.4-172174.271.2-1714110K270 I281K270-R279 PolarHBondContact N-O 2.9Å; K270-R279 PolarHBondContact O-N 3.07Å; R279-I281 HydrophobicContact CG-CD1 4.32Å
280K98.2Very high97.2Very high95 Ų9562 Ų6241%0.41333%0.332SS..EExtended strand (participates in β ladder)trans-71.1135.7169.4-162.4-177.1-175.6-135.40109.3W269 E282W269-K280 HydrophobicContact CD2-CB 4.13Å; W269-K280 HydrophobicContact CD2-CG 4.3Å; W269-K280 HydrophobicContact CE3-CB 4.05Å; W269-K280 HydrophobicContact CH2-CB 3.93Å; W269-K280 HydrophobicContact CZ2-CB 3.99Å; W269-K280 HydrophobicContact CZ2-CD 4.2Å; W269-K280 HydrophobicContact CZ2-CG 4.11Å; W269-K280 HydrophobicContact CZ3-CB 3.95Å; K280-E282 VanDerWaalsContact CE-OE1 3.29Å; K280-E282 WeakPolarHBondContact CE-OE1 3.29Å; K280-E282 IonicContact NZ-OE1 2.75Å; K280-E282 PolarHBondContact NZ-OE1 2.92Å
281I98Very high97.1Very high23 Ų2360.8 Ų60.812%0.11833%0.327CS..EExtended strand (participates in β ladder)trans-114136.8-178.6-54.9-59.6000108.2L2 Y252 L268 K270 R279 P283L2-I281 HydrophobicContact CD2-CG2 3.55Å; Y252-I281 HydrophobicContact CE1-CG1 4.48Å; L268-I281 HydrophobicContact CB-CB 4.41Å; L268-I281 HydrophobicContact CD2-CB 4.11Å; L268-I281 HydrophobicContact CD2-CG2 4.05Å; L268-I281 HydrophobicContact CG-CB 4.21Å; L268-I281 PolarHBondContact O-N 3.4Å; K270-I281 HydrophobicContact CB-CD1 3.93Å; K270-I281 HydrophobicContact CB-CG1 3.63Å; K270-I281 HydrophobicContact CD-CD1 4.3Å; R279-I281 HydrophobicContact CG-CD1 4.32Å; I281-P283 HydrophobicContact CG2-CG 4.48Å; I281-P283 WeakPolarHBondContact O-CD 3.12Å
282E97.1Very high97.1Very high135 Ų13561.3 Ų61.363%0.63133%0.329SS*.  trans-114.991.6176.1-60.5-61.6162.100108.5K280K280-E282 VanDerWaalsContact CE-OE1 3.29Å; K280-E282 WeakPolarHBondContact CE-OE1 3.29Å; K280-E282 IonicContact NZ-OE1 2.75Å; K280-E282 PolarHBondContact NZ-OE1 2.92Å
283P97.5Very high97Very high25 Ų2561.2 Ų61.216%0.16233%0.326CS..  trans-62.8147.7173.8-21.234000111.4L2 L268 I281 L332L2-P283 HydrophobicContact CD2-CB 4.49Å; L2-P283 HydrophobicContact CD2-CG 4.18Å; L2-P283 HydrophobicContact CG-CB 4.25Å; L2-P283 HydrophobicContact CG-CG 4.43Å; L268-P283 HydrophobicContact CD2-CG 3.65Å; I281-P283 HydrophobicContact CG2-CG 4.48Å; I281-P283 WeakPolarHBondContact O-CD 3.12Å; P283-L332 HydrophobicContact CB-CD1 3.8Å; P283-L332 HydrophobicContact CG-CD1 3.99Å
284K97.1Very high97.1Very high119 Ų11960.4 Ų60.452%0.51732%0.32SS..BIsolated β-bridgetrans-72.1161.1168.6-72.5-170.1168170.80111.5M1 L2 R3 W4M1-K284 HydrophobicContact CG-CD 4.38Å; M1-K284 HydrophobicContact SD-CD 3.36Å; M1-K284 WeakPolarHBondContact SD-CD 3.48Å; M1-K284 WeakPolarHBondContact SD-CE 3.34Å; M1-K284 HydrophobicContact SD-CG 3.96Å; M1-K284 PolarHBondContact SD-NZ 2.92Å; L2-K284 PolarHBondContact O-N 3.36Å; L2-K284 VanDerWaalsContact O-N 3.12Å; R3-K284 CarbonylContact C-O 3.56Å; R3-K284 WeakPolarHBondContact CA-O 3.42Å; R3-K284 HydrophobicContact CB-CB 3.82Å; R3-K284 VanDerWaalsContact CB-O 3.28Å; R3-K284 WeakPolarHBondContact CB-O 3.34Å; W4-K284 PolarHBondContact N-O 2.86Å
285G94.4Very high97.1Very high45 Ų4554.6 Ų54.646%0.46429%0.285SS..SBendtrans82.5168.3178.600000113G287G285-G287 PolarHBondContact O-N 2.72Å
286K95.1Very high97.2Very high188 Ų18852.2 Ų52.282%0.81727%0.268SS*.  trans-77.1115.2179.2-172176.9179.1-177.40109.4W4W4-K286 WeakPolarHBondContact CB-O 3.26Å
287G96.5Very high97.2Very high23 Ų2351.1 Ų51.124%0.23726%0.264CS..  trans-91.5-179.6176.100000113.5G285G285-G287 PolarHBondContact O-N 2.72Å
288P97.3Very high97.2Very high6 Ų654.7 Ų54.74%0.03927%0.27CS..PPolyproline II helixtrans-63.4151.4176.8-10.821.7000112.5W4 F254 L305 Y330W4-P288 HydrophobicContact CH2-CG 3.84Å; W4-P288 VanDerWaalsContact CZ2-CD 3.45Å; W4-P288 HydrophobicContact CZ2-CG 4.08Å; W4-P288 HydrophobicContact CZ3-CG 4.13Å; F254-P288 HydrophobicContact CE1-CB 4.27Å; F254-P288 HydrophobicContact CE1-CG 4.05Å; F254-P288 HydrophobicContact CE2-CG 4.41Å; F254-P288 HydrophobicContact CZ-CB 3.88Å; F254-P288 HydrophobicContact CZ-CG 3.59Å; P288-L305 HydrophobicContact CB-CD2 4.3Å; P288-L305 HydrophobicContact CG-CD2 3.82Å; P288-Y330 HydrophobicContact CB-CD2 3.86Å; P288-Y330 HydrophobicContact CB-CE1 4.41Å; P288-Y330 HydrophobicContact CB-CE2 3.7Å; P288-Y330 HydrophobicContact CB-CG 4.3Å; P288-Y330 HydrophobicContact CG-CD1 3.98Å; P288-Y330 HydrophobicContact CG-CD2 3.63Å; P288-Y330 HydrophobicContact CG-CE1 4.3Å; P288-Y330 HydrophobicContact CG-CE2 3.97Å; P288-Y330 HydrophobicContact CG-CG 3.63Å
289C96.3Very high97.2Very high44 Ų4455 Ų5530%0.29727%0.273SS..PPolyproline II helixtrans-64.1165169.369.50000111.8R291C289-R291 WeakPolarHBondContact O-CG 3.21Å; C289-R291 PolarHBondContact O-N 2.85Å; C289-R291 PolarHBondContact O-NE 2.85Å; C289-R291 PolarHBondContact SG-NH2 3.36Å
290P97.4Very high97.1Very high47 Ų4750.2 Ų50.231%0.30527%0.27SS..SBendtrans-53.9123.5172.7-19.428000111.9H264 F265 H266 S310H264-P290 HydrophobicContact CB-CB 3.72Å; F265-P290 CarbonylContact O-C 3.58Å; F265-P290 VanDerWaalsContact O-CA 3.3Å; F265-P290 WeakPolarHBondContact O-CA 3.27Å; H266-P290 HydrophobicContact CB-CB 4.44Å; H266-P290 HydrophobicContact CB-CG 4.34Å; P290-S310 WeakPolarHBondContact O-CB 3.45Å
291R97.4Very high97Very high1 Ų149.1 Ų49.10%0.00427%0.269CS..  trans-154.6163.4-173.164.1-177.764.1-166.8-0.8113.8F254 G256 F265 C289 Q294 G307 T309 D328F254-R291 HydrophobicContact CE1-CG 4.34Å; G256-R291 PolarHBondContact N-O 2.92Å; F265-R291 PolarHBondContact O-N 2.85Å; C289-R291 WeakPolarHBondContact O-CG 3.21Å; C289-R291 PolarHBondContact O-N 2.85Å; C289-R291 PolarHBondContact O-NE 2.85Å; C289-R291 PolarHBondContact SG-NH2 3.36Å; R291-Q294 HydrophobicContact CG-CG 4.42Å; R291-G307 PolarHBondContact NH1-O 3.42Å; R291-T309 CarbonylContact C-O 3.45Å; R291-T309 WeakPolarHBondContact CA-O 3.49Å; R291-T309 WeakPolarHBondContact CB-O 3.39Å; R291-D328 IonicContact CZ-OD1 3.64Å; R291-D328 IonicContact CZ-OD2 2.71Å; R291-D328 VanDerWaalsContact NH1-CG 3.34Å; R291-D328 IonicContact NH1-OD1 2.99Å; R291-D328 PolarHBondContact NH1-OD1 3.18Å; R291-D328 IonicContact NH1-OD2 3.86Å; R291-D328 PolarHBondContact NH1-OD2 3.09Å; R291-D328 VanDerWaalsContact NH1-OD2 3.17Å; R291-D328 IonicContact NH2-OD1 2.77Å; R291-D328 IonicContact NH2-OD2 3.22Å; R291-D328 PolarHBondContact NH2-OD2 2.77Å
292R97.4Very high97.1Very high10 Ų1051.4 Ų51.44%0.03828%0.278CS..BIsolated β-bridgetrans-133.2164.517564.6179.4-168.7-171.33110.8Y257 H264 Q294 G308 T309Y257-R292 VanDerWaalsContact CB-CD 3.45Å; H264-R292 WeakPolarHBondContact NE2-CD 3.43Å; R292-Q294 PolarHBondContact O-N 2.99Å; R292-Q294 PolarHBondContact O-OE1 2.77Å; R292-G308 CarbonylContact O-C 3.55Å; R292-G308 WeakPolarHBondContact O-CA 3.35Å; R292-T309 PolarHBondContact N-O 3.21Å; R292-T309 PolarHBondContact O-N 3.01Å
293R97.5Very high97.1Very high39 Ų3945.1 Ų45.115%0.14725%0.248CC..SBendtrans6518.6170.7-55177.4173.4172.70.5114.6V15 N16 Y32 S241V15-R293 HydrophobicContact CG1-CB 3.55Å; V15-R293 VanDerWaalsContact CG1-CD 3.45Å; V15-R293 HydrophobicContact CG1-CG 4.14Å; N16-R293 PolarHBondContact N-O 2.79Å; N16-R293 VanDerWaalsContact N-O 3.14Å; N16-R293 WeakPolarHBondContact OD1-CB 3.35Å; N16-R293 WeakPolarHBondContact OD1-CD 3.41Å; N16-R293 WeakPolarHBondContact OD1-CG 3.22Å; Y32-R293 PolarHBondContact OH-NH1 3.17Å; S241-R293 PolarHBondContact O-N 3Å
294Q97.9Very high97.2Very high9 Ų944 Ų444%0.04224%0.241CC..  trans-81.4154.8170.674.7-69.4-19.500111.4S243 F254 R291 R292 L305 G307S243-Q294 VanDerWaalsContact OG-CG 3.31Å; S243-Q294 WeakPolarHBondContact OG-CG 3.09Å; S243-Q294 PolarHBondContact OG-NE2 3.19Å; S243-Q294 PolarHBondContact OG-O 2.91Å; F254-Q294 PolarHBondContact O-NE2 3.37Å; R291-Q294 HydrophobicContact CG-CG 4.42Å; R292-Q294 PolarHBondContact O-N 2.99Å; R292-Q294 PolarHBondContact O-OE1 2.77Å; Q294-L305 HydrophobicContact CG-CD1 4.04Å; Q294-L305 HydrophobicContact CG-CD2 4.15Å; Q294-L305 HydrophobicContact CG-CG 4.01Å; Q294-G307 VanDerWaalsContact CB-O 3.27Å; Q294-G307 WeakPolarHBondContact CB-O 3.46Å
295C97.5Very high97.3Very high19 Ų1938.4 Ų38.413%0.12822%0.217CC..EExtended strand (participates in β ladder)trans-96.9154.1169.7-79.80000111.5H17 A19 L305 F306H17-C295 PolarHBondContact CD2-SG 2.91Å; H17-C295 VanDerWaalsContact NE2-CB 3.33Å; H17-C295 WeakPolarHBondContact NE2-CB 3.47Å; H17-C295 PolarHBondContact NE2-SG 2.7Å; H17-C295 PolarHBondContact O-SG 2.77Å; A19-C295 HydrophobicContact CB-CB 3.97Å; C295-L305 WeakPolarHBondContact O-CA 3.22Å; C295-F306 HydrophobicContact CB-CE1 4.29Å; C295-F306 HydrophobicContact CB-CZ 4.25Å; C295-F306 PolarHBondContact N-O 2.7Å; C295-F306 PolarHBondContact O-N 3.08Å
296C96.7Very high97.4Very high24 Ų2436.4 Ų36.416%0.16220%0.195CC..EExtended strand (participates in β ladder)trans-131140.3165.271.10000111.1S243 F245 I303 I304S243-C296 WeakPolarHBondContact CB-SG 3.38Å; F245-C296 HydrophobicContact CD1-CB 4.46Å; C296-I303 HydrophobicContact CB-CG2 3.78Å; C296-I304 CarbonylContact C-O 3.58Å; C296-I304 WeakPolarHBondContact CA-O 3.25Å
297C98.1Very high97.5Very high8 Ų827.4 Ų27.45%0.05416%0.156CC..EExtended strand (participates in β ladder)trans-133.4134.1178.2-740000110.4A19 A21 V26 I303 I304A19-C297 PolarHBondContact O-SG 3.46Å; A21-C297 HydrophobicContact CB-CB 4.23Å; V26-C297 HydrophobicContact CB-CB 4.47Å; V26-C297 HydrophobicContact CG1-CB 3.82Å; V26-C297 HydrophobicContact CG2-CB 3.78Å; C297-I303 WeakPolarHBondContact O-CA 3.32Å; C297-I304 PolarHBondContact N-O 2.91Å; C297-I304 PolarHBondContact O-N 2.68Å
298R97.9Very high97.5Very high127 Ų12726.3 Ų26.348%0.47915%0.145SC..EExtended strand (participates in β ladder)trans-87.1122.8176.5-173.1-18071.485-1.9110.7A21 G300 K302 I303A21-R298 WeakPolarHBondContact CB-O 3.48Å; R298-G300 WeakPolarHBondContact CG-O 3.41Å; R298-G300 PolarHBondContact NH1-O 3.43Å; R298-K302 CarbonylContact C-O 3.57Å; R298-K302 WeakPolarHBondContact CA-O 3.35Å; R298-I303 HydrophobicContact CB-CD1 3.68Å; R298-I303 HydrophobicContact CG-CD1 3.78Å
299V98Very high97.5Very high21 Ų2126 Ų2613%0.12714%0.143CC..EExtended strand (participates in β ladder)trans-122.3103.2171.7-179.30000107.9A21 V26 A51 D301 K302 I304A21-V299 HydrophobicContact CB-CG2 3.99Å; V26-V299 HydrophobicContact CG2-CG2 3.71Å; A51-V299 HydrophobicContact CB-CB 4.36Å; A51-V299 HydrophobicContact CB-CG1 3.83Å; A51-V299 HydrophobicContact CB-CG2 4.45Å; V299-D301 PolarHBondContact O-N 2.98Å; V299-K302 PolarHBondContact N-O 2.8Å; V299-K302 PolarHBondContact O-N 2.99Å; V299-I304 HydrophobicContact CB-CG1 4.5Å; V299-I304 HydrophobicContact CG2-CG1 4.03Å
300G96.2Very high97.4Very high47 Ų4724.3 Ų24.349%0.48513%0.131SC..THydrogen-bonded Turntrans58.9-122.7-171.500000111.8R298 K302R298-G300 WeakPolarHBondContact CG-O 3.41Å; R298-G300 PolarHBondContact NH1-O 3.43Å; G300-K302 VanDerWaalsContact C-N 3.32Å
301D96.8Very high97.1Very high72 Ų7225.1 Ų25.139%0.38514%0.137SC..THydrogen-bonded Turntrans-90.512.7176.3-68.6-50.9000114.2Y247 V299 F334Y247-D301 HydrophobicContact CE2-CB 4.42Å; Y247-D301 VanDerWaalsContact CE2-OD1 3.3Å; Y247-D301 WeakPolarHBondContact CE2-OD1 3.38Å; Y247-D301 PolarHBondContact OH-OD1 3.31Å; V299-D301 PolarHBondContact O-N 2.98Å; D301-F334 WeakPolarHBondContact O-CB 2.98Å; D301-F334 PolarHBondContact O-N 3.47Å
302K98.2Very high96.4Very high71 Ų7127.1 Ų27.131%0.30915%0.151SC..EExtended strand (participates in β ladder)trans-118.2143.9-176.6-54.8-167.8-162-53.90111.1R298 V299 G300 I331 L332 D333R298-K302 CarbonylContact C-O 3.57Å; R298-K302 WeakPolarHBondContact CA-O 3.35Å; V299-K302 PolarHBondContact N-O 2.8Å; V299-K302 PolarHBondContact O-N 2.99Å; G300-K302 VanDerWaalsContact C-N 3.32Å; K302-I331 HydrophobicContact CB-CG2 3.76Å; K302-I331 HydrophobicContact CD-CG2 3.71Å; K302-I331 HydrophobicContact CG-CG2 4.14Å; K302-L332 CarbonylContact C-O 3.49Å; K302-L332 WeakPolarHBondContact CA-O 3.44Å; K302-D333 IonicContact NZ-OD1 3.67Å; K302-D333 PolarHBondContact NZ-OD1 2.95Å; K302-D333 IonicContact NZ-OD2 3.76Å; K302-D333 PolarHBondContact NZ-OD2 2.96Å
303I98.6Very high95.2Very high2 Ų231.9 Ų31.91%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-108.6119.1169.9-53.1-62.9000107.8F245 C296 C297 R298 I331 L332 F334F245-I303 HydrophobicContact CB-CD1 4.43Å; F245-I303 HydrophobicContact CD1-CD1 4.46Å; F245-I303 HydrophobicContact CD1-CG2 4.11Å; F245-I303 HydrophobicContact CD2-CD1 3.37Å; F245-I303 HydrophobicContact CD2-CG1 3.83Å; F245-I303 HydrophobicContact CE1-CG1 4.26Å; F245-I303 HydrophobicContact CE1-CG2 4.02Å; F245-I303 HydrophobicContact CE2-CD1 3.6Å; F245-I303 HydrophobicContact CE2-CG1 3.5Å; F245-I303 HydrophobicContact CG-CD1 3.85Å; F245-I303 HydrophobicContact CG-CG1 4.34Å; F245-I303 HydrophobicContact CG-CG2 4.49Å; F245-I303 HydrophobicContact CZ-CB 4.48Å; F245-I303 HydrophobicContact CZ-CD1 4.24Å; F245-I303 HydrophobicContact CZ-CG1 3.73Å; F245-I303 HydrophobicContact CZ-CG2 4.32Å; C296-I303 HydrophobicContact CB-CG2 3.78Å; C297-I303 WeakPolarHBondContact O-CA 3.32Å; R298-I303 HydrophobicContact CB-CD1 3.68Å; R298-I303 HydrophobicContact CG-CD1 3.78Å; I303-I331 WeakPolarHBondContact O-CA 3.21Å; I303-L332 HydrophobicContact CB-CB 4.21Å; I303-L332 PolarHBondContact N-O 3.34Å; I303-L332 PolarHBondContact O-N 2.84Å; I303-F334 HydrophobicContact CD1-CE2 4.47Å; I303-F334 HydrophobicContact CG1-CD2 4.23Å; I303-F334 HydrophobicContact CG1-CE2 3.6Å
304I98.6Very high93.6Very high1 Ų135.4 Ų35.41%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-90115.7173.7-46.8-55.1000106.9V26 F49 C296 C297 V299 F306 L329 I331V26-I304 HydrophobicContact CG2-CB 4.35Å; V26-I304 HydrophobicContact CG2-CG1 4.1Å; F49-I304 HydrophobicContact CD1-CG2 4.03Å; F49-I304 HydrophobicContact CE1-CD1 4.07Å; F49-I304 HydrophobicContact CE1-CG1 4.37Å; F49-I304 HydrophobicContact CE1-CG2 4.01Å; C296-I304 CarbonylContact C-O 3.58Å; C296-I304 WeakPolarHBondContact CA-O 3.25Å; C297-I304 PolarHBondContact N-O 2.91Å; C297-I304 PolarHBondContact O-N 2.68Å; V299-I304 HydrophobicContact CB-CG1 4.5Å; V299-I304 HydrophobicContact CG2-CG1 4.03Å; I304-F306 HydrophobicContact CG2-CD1 4.15Å; I304-L329 HydrophobicContact CG2-CD1 3.48Å; I304-L329 VanDerWaalsContact CG2-CD1 3.48Å; I304-L329 HydrophobicContact CG2-CD2 4.22Å; I304-L329 HydrophobicContact CG2-CG 3.87Å; I304-I331 HydrophobicContact CD1-CB 4.38Å; I304-I331 HydrophobicContact CD1-CD1 3.66Å; I304-I331 HydrophobicContact CD1-CG1 3.66Å; I304-I331 HydrophobicContact CD1-CG2 4.03Å
305L98.6Very high91.3Very high3 Ų344.9 Ų44.92%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-116.9129.9178179.8150.6000109.1W4 F254 P288 Q294 C295 L329 Y330W4-L305 HydrophobicContact CH2-CD1 4.3Å; F254-L305 HydrophobicContact CD1-CD1 3.28Å; F254-L305 HydrophobicContact CE1-CD1 3.5Å; F254-L305 VanDerWaalsContact CE1-CD1 3.5Å; F254-L305 HydrophobicContact CG-CD1 4Å; F254-L305 HydrophobicContact CZ-CD1 4.37Å; P288-L305 HydrophobicContact CB-CD2 4.3Å; P288-L305 HydrophobicContact CG-CD2 3.82Å; Q294-L305 HydrophobicContact CG-CD1 4.04Å; Q294-L305 HydrophobicContact CG-CD2 4.15Å; Q294-L305 HydrophobicContact CG-CG 4.01Å; C295-L305 WeakPolarHBondContact O-CA 3.22Å; L305-L329 CarbonylContact O-C 3.58Å; L305-L329 WeakPolarHBondContact O-CA 3.33Å; L305-Y330 HydrophobicContact CD2-CD2 4.37Å; L305-Y330 PolarHBondContact N-O 3.2Å; L305-Y330 PolarHBondContact O-N 2.75Å
306F98.3Very high88.9Confident2 Ų246 Ų461%0.00926%0.261CS..EExtended strand (participates in β ladder)trans-155.5158.5-177.563.5-80.6000112.5H17 A19 V26 W56 C295 I304 D328 L329H17-F306 AromaticContact CD2-CE2 3.71Å; H17-F306 AromaticContact NE2-CD2 3.63Å; H17-F306 AromaticContact NE2-CE2 3.14Å; H17-F306 WeakPolarHBondContact NE2-CE2 3.36Å; H17-F306 AromaticContact NE2-CZ 3.67Å; A19-F306 HydrophobicContact CB-CE1 4.17Å; A19-F306 HydrophobicContact CB-CZ 3.63Å; V26-F306 HydrophobicContact CG1-CE1 3.98Å; V26-F306 HydrophobicContact CG1-CZ 4.25Å; W56-F306 HydrophobicContact CH2-CD1 4.32Å; W56-F306 AromaticContact CH2-CD2 3.84Å; W56-F306 HydrophobicContact CH2-CD2 3.84Å; W56-F306 HydrophobicContact CH2-CE1 4.07Å; W56-F306 AromaticContact CH2-CE2 3.54Å; W56-F306 HydrophobicContact CH2-CE2 3.54Å; W56-F306 HydrophobicContact CH2-CG 4.22Å; W56-F306 AromaticContact CH2-CZ 3.67Å; W56-F306 HydrophobicContact CH2-CZ 3.67Å; W56-F306 HydrophobicContact CZ2-CB 4.45Å; W56-F306 HydrophobicContact CZ2-CD1 4.18Å; W56-F306 AromaticContact CZ2-CD2 3.74Å; W56-F306 HydrophobicContact CZ2-CD2 3.74Å; W56-F306 HydrophobicContact CZ2-CE1 4.38Å; W56-F306 AromaticContact CZ2-CE2 3.95Å; W56-F306 HydrophobicContact CZ2-CE2 3.95Å; W56-F306 AromaticContact CZ2-CG 3.86Å; W56-F306 HydrophobicContact CZ2-CG 3.86Å; W56-F306 HydrophobicContact CZ2-CZ 4.28Å; C295-F306 HydrophobicContact CB-CE1 4.29Å; C295-F306 HydrophobicContact CB-CZ 4.25Å; C295-F306 PolarHBondContact N-O 2.7Å; C295-F306 PolarHBondContact O-N 3.08Å; I304-F306 HydrophobicContact CG2-CD1 4.15Å; F306-D328 WeakPolarHBondContact CA-O 3.22Å; F306-D328 VanDerWaalsContact CB-O 3.25Å; F306-D328 WeakPolarHBondContact CB-O 3.3Å; F306-L329 HydrophobicContact CB-CB 4.04Å; F306-L329 HydrophobicContact CB-CD1 4.3Å; F306-L329 HydrophobicContact CB-CG 4.23Å
307G97Very high86.3Confident0 Ų053.5 Ų53.50%030%0.295CS..  trans69.5-155-179.800000114R291 Q294 H326 D328R291-G307 PolarHBondContact NH1-O 3.42Å; Q294-G307 VanDerWaalsContact CB-O 3.27Å; Q294-G307 WeakPolarHBondContact CB-O 3.46Å; G307-H326 WeakPolarHBondContact CA-O 3.43Å; G307-D328 PolarHBondContact N-O 3.11Å
308G96.8Very high83.7Confident0 Ų057 Ų570%033%0.333CS..  trans83.8-173.1-174.600000113.2R14 R292 H326R14-G308 PolarHBondContact O-N 2.78Å; R292-G308 CarbonylContact O-C 3.55Å; R292-G308 WeakPolarHBondContact O-CA 3.35Å; G308-H326 PolarHBondContact O-CD2 2.86Å; G308-H326 PolarHBondContact O-N 2.71Å
309T95.5Very high81.3Confident0 Ų056.7 Ų56.70%034%0.341CS..EExtended strand (participates in β ladder)trans-129148.8-178.466.60000113V15 R291 R292 M324 D325V15-T309 HydrophobicContact CB-CG2 4.07Å; V15-T309 HydrophobicContact CG1-CG2 3.61Å; V15-T309 HydrophobicContact CG2-CG2 3.23Å; R291-T309 CarbonylContact C-O 3.45Å; R291-T309 WeakPolarHBondContact CA-O 3.49Å; R291-T309 WeakPolarHBondContact CB-O 3.39Å; R292-T309 PolarHBondContact N-O 3.21Å; R292-T309 PolarHBondContact O-N 3.01Å; T309-M324 VanDerWaalsContact CA-O 3.24Å; T309-M324 WeakPolarHBondContact CA-O 3.49Å; T309-D325 WeakPolarHBondContact CG2-OD1 3.48Å
310S94.8Very high79Confident7 Ų760.9 Ų60.95%0.04936%0.359CS..EExtended strand (participates in β ladder)trans-127.9164.517068.80000110.5P290 L323 M324 H326P290-S310 WeakPolarHBondContact O-CB 3.45Å; S310-L323 CarbonylContact O-C 3.6Å; S310-L323 VanDerWaalsContact O-CA 3.32Å; S310-L323 WeakPolarHBondContact O-CA 3.37Å; S310-M324 PolarHBondContact N-O 2.95Å; S310-M324 PolarHBondContact O-N 2.84Å; S310-H326 VanDerWaalsContact CB-NE2 3.3Å; S310-H326 WeakPolarHBondContact CB-NE2 3.38Å; S310-H326 PolarHBondContact N-NE2 3.14Å; S310-H326 PolarHBondContact OG-CE1 2.92Å; S310-H326 PolarHBondContact OG-NE2 3.09Å
311P90.9Very high77.1Confident65 Ų6567.1 Ų67.142%0.42237%0.373SS..EExtended strand (participates in β ladder)trans-51.6140.4163.3-24.835.7000111.3H264H264-P311 HydrophobicContact CB-CG 4.4Å; H264-P311 WeakPolarHBondContact ND1-CG 3.45Å
312S83.8Confident76.1Confident43 Ų4366.8 Ų66.830%0.30137%0.372SS..  trans-67.5142.5170.9-172.20000110E314 D322S312-E314 VanDerWaalsContact C-N 3.3Å; S312-E314 PolarHBondContact OG-N 3.4Å; S312-D322 WeakPolarHBondContact CB-O 3.41Å; S312-D322 PolarHBondContact N-O 2.81Å
313P71.2Confident75.7Confident109 Ų10965.3 Ų65.371%0.70837%0.367SS*.SBendtrans-72.8-19.4172.8-15.229.7000114.2
314E64.5Low75.3Confident114 Ų11467.6 Ų67.653%0.53338%0.378SS..SBendtrans-82.3115.4-179-65.4-174.5173.900109.6S312 G316 S380S312-E314 VanDerWaalsContact C-N 3.3Å; S312-E314 PolarHBondContact OG-N 3.4Å; E314-G316 PolarHBondContact O-N 2.82Å; E314-G316 VanDerWaalsContact O-N 3.07Å; E314-S380 PolarHBondContact OE1-OG 3.08Å
315E49.2Very low75.1Confident207 Ų20768 Ų6897%0.96738%0.38SS*.  trans-70.397.1176.8-71.3-176.2163.300110.1
316G47.3Very low74.9Confident44 Ų4468.2 Ų68.245%0.45438%0.381SS..  trans-137.577.8-179.800000114E314E314-G316 PolarHBondContact O-N 2.82Å; E314-G316 VanDerWaalsContact O-N 3.07Å
317M42.5Very low74.8Confident180 Ų18068.2 Ų68.289%0.88738%0.381SS*.  trans56.274.3174.6-71.8-149.4-118.500115.9D319M317-D319 PolarHBondContact O-N 3.41Å
318G43Very low74.7Confident83 Ų8368.5 Ų68.586%0.85638%0.383SS*.SBend61.2-1.2124.200000121.3
319D46.9Very low74.8Confident120 Ų12068.6 Ų68.664%0.64238%0.383SS*.SBendtrans-111.3158.1-175.1-75.9-19.2000112.4M317 F321 D322M317-D319 PolarHBondContact O-N 3.41Å; D319-F321 HydrophobicContact CB-CD2 3.97Å; D319-F321 PolarHBondContact O-N 3.04Å; D319-D322 PolarHBondContact O-N 3.44Å
320E50.7Low74.9Confident109 Ų10969.3 Ų69.351%0.50939%0.386SS..THydrogen-bonded Turntrans-57.41.3179-111.6-167.4152.400115.1Y257Y257-E320 PolarHBondContact OH-OE1 2.81Å
321F55.3Low75.1Confident177 Ų17769.2 Ų69.278%0.77639%0.385SS*.THydrogen-bonded Turntrans-98.1-11.6-172.3-63.9-72.4000114.8D319 L323D319-F321 HydrophobicContact CB-CD2 3.97Å; D319-F321 PolarHBondContact O-N 3.04Å; F321-L323 PolarHBondContact O-N 2.88Å
322D76.8Confident75.5Confident66 Ų6666.1 Ų66.135%0.35337%0.365SS..  trans-82.361.7175.1-77.9-11.1000111.5S312 D319S312-D322 WeakPolarHBondContact CB-O 3.41Å; S312-D322 PolarHBondContact N-O 2.81Å; D319-D322 PolarHBondContact O-N 3.44Å
323L88.8Confident76.2Confident39 Ų3964.2 Ų64.220%0.20435%0.351CS..EExtended strand (participates in β ladder)trans-107.4135.5175.2-62.5177.7000110.8S310 F321S310-L323 CarbonylContact O-C 3.6Å; S310-L323 VanDerWaalsContact O-CA 3.32Å; S310-L323 WeakPolarHBondContact O-CA 3.37Å; F321-L323 PolarHBondContact O-N 2.88Å
324M91.3Very high77.4Confident50 Ų5060.2 Ų60.225%0.24632%0.323CS..EExtended strand (participates in β ladder)trans-99.3128.3172.5-176.3175.874.200109.8T309 S310 H326 I377T309-M324 VanDerWaalsContact CA-O 3.24Å; T309-M324 WeakPolarHBondContact CA-O 3.49Å; S310-M324 PolarHBondContact N-O 2.95Å; S310-M324 PolarHBondContact O-N 2.84Å; M324-H326 WeakPolarHBondContact CE-CE1 3.11Å; M324-H326 PolarHBondContact O-CD2 2.83Å; M324-I377 HydrophobicContact CE-CD1 4.35Å; M324-I377 HydrophobicContact CG-CD1 3.94Å; M324-I377 HydrophobicContact SD-CD1 3.82Å; M324-I377 HydrophobicContact SD-CG2 3.93Å
325D93.2Very high78.9Confident9 Ų958.2 Ų58.25%0.04832%0.322CS..EExtended strand (participates in β ladder)trans-87.6130.3176.3-69.210.3000110.7R13 V15 C33 S34 T309R13-D325 HydrophobicContact CG-CB 3.8Å; V15-D325 HydrophobicContact CG2-CB 4.07Å; V15-D325 VanDerWaalsContact CG2-CG 3.42Å; V15-D325 WeakPolarHBondContact CG2-OD2 3.4Å; C33-D325 VanDerWaalsContact CA-OD2 3.29Å; C33-D325 WeakPolarHBondContact CA-OD2 3.31Å; S34-D325 WeakPolarHBondContact CB-OD2 3.47Å; S34-D325 PolarHBondContact N-OD2 2.87Å; S34-D325 PolarHBondContact OG-OD1 2.89Å; S34-D325 PolarHBondContact OG-OD2 3.26Å; S34-D325 VanDerWaalsContact OG-OD2 3.08Å; T309-D325 WeakPolarHBondContact CG2-OD1 3.48Å
326H95Very high81.1Confident9 Ų949 Ų494%0.04228%0.28CS..PPolyproline II helixtrans-94.1140.9-173.6-66.9-84.9000112.6R13 G307 G308 S310 M324 D328R13-H326 WeakPolarHBondContact CA-O 3.36Å; G307-H326 WeakPolarHBondContact CA-O 3.43Å; G308-H326 PolarHBondContact O-CD2 2.86Å; G308-H326 PolarHBondContact O-N 2.71Å; S310-H326 VanDerWaalsContact CB-NE2 3.3Å; S310-H326 WeakPolarHBondContact CB-NE2 3.38Å; S310-H326 PolarHBondContact N-NE2 3.14Å; S310-H326 PolarHBondContact OG-CE1 2.92Å; S310-H326 PolarHBondContact OG-NE2 3.09Å; M324-H326 WeakPolarHBondContact CE-CE1 3.11Å; M324-H326 PolarHBondContact O-CD2 2.83Å; H326-D328 WeakPolarHBondContact CB-OD1 3.25Å; H326-D328 IonicContact CG-OD2 3.01Å; H326-D328 IonicContact ND1-OD2 3.87Å; H326-D328 PolarHBondContact ND1-OD2 3.14Å
327S95.4Very high83.4Confident2 Ų249.7 Ų49.71%0.01428%0.278CS..  trans-111.19.6165.946.80000112.5G10 G11G10-S327 PolarHBondContact N-O 3.48Å; G11-S327 WeakPolarHBondContact CA-O 3.48Å; G11-S327 PolarHBondContact N-O 3.07Å; G11-S327 VanDerWaalsContact O-CB 3.23Å; G11-S327 WeakPolarHBondContact O-CB 3.36Å
328D96.7Very high86Confident5 Ų547.5 Ų47.53%0.02727%0.269CS..  trans-75.9161.7178.664.414.2000112.3L8 E9 R291 F306 G307 H326 Y330L8-D328 CarbonylContact O-C 3.59Å; L8-D328 VanDerWaalsContact O-CA 3.27Å; L8-D328 WeakPolarHBondContact O-CA 3.18Å; E9-D328 WeakPolarHBondContact OE2-CB 3.36Å; R291-D328 IonicContact CZ-OD1 3.64Å; R291-D328 IonicContact CZ-OD2 2.71Å; R291-D328 VanDerWaalsContact NH1-CG 3.34Å; R291-D328 IonicContact NH1-OD1 2.99Å; R291-D328 PolarHBondContact NH1-OD1 3.18Å; R291-D328 IonicContact NH1-OD2 3.86Å; R291-D328 PolarHBondContact NH1-OD2 3.09Å; R291-D328 VanDerWaalsContact NH1-OD2 3.17Å; R291-D328 IonicContact NH2-OD1 2.77Å; R291-D328 IonicContact NH2-OD2 3.22Å; R291-D328 PolarHBondContact NH2-OD2 2.77Å; F306-D328 WeakPolarHBondContact CA-O 3.22Å; F306-D328 VanDerWaalsContact CB-O 3.25Å; F306-D328 WeakPolarHBondContact CB-O 3.3Å; G307-D328 PolarHBondContact N-O 3.11Å; H326-D328 WeakPolarHBondContact CB-OD1 3.25Å; H326-D328 IonicContact CG-OD2 3.01Å; H326-D328 IonicContact ND1-OD2 3.87Å; H326-D328 PolarHBondContact ND1-OD2 3.14Å; D328-Y330 HydrophobicContact CB-CE2 4.17Å; D328-Y330 VanDerWaalsContact OD2-CE2 3.26Å; D328-Y330 WeakPolarHBondContact OD2-CE2 3.42Å
329L97.6Very high88.6Confident2 Ų247.7 Ų47.71%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-138.7132.3174.2177.5149.6000109.2H7 L8 F49 W56 I304 L305 F306 I331H7-L329 CarbonylContact C-O 3.48Å; H7-L329 WeakPolarHBondContact CA-O 3.35Å; L8-L329 PolarHBondContact N-O 3.39Å; L8-L329 PolarHBondContact O-N 2.86Å; F49-L329 HydrophobicContact CD1-CD1 4.11Å; F49-L329 HydrophobicContact CD2-CD1 3.72Å; F49-L329 HydrophobicContact CE1-CD1 3.97Å; F49-L329 HydrophobicContact CE1-CD2 4.44Å; F49-L329 HydrophobicContact CE2-CD1 3.56Å; F49-L329 HydrophobicContact CE2-CD2 4.25Å; F49-L329 HydrophobicContact CG-CD1 3.97Å; F49-L329 HydrophobicContact CZ-CD1 3.69Å; F49-L329 HydrophobicContact CZ-CD2 3.85Å; F49-L329 HydrophobicContact CZ-CG 4.47Å; W56-L329 HydrophobicContact CZ2-CD1 3.69Å; I304-L329 HydrophobicContact CG2-CD1 3.48Å; I304-L329 VanDerWaalsContact CG2-CD1 3.48Å; I304-L329 HydrophobicContact CG2-CD2 4.22Å; I304-L329 HydrophobicContact CG2-CG 3.87Å; L305-L329 CarbonylContact O-C 3.58Å; L305-L329 WeakPolarHBondContact O-CA 3.33Å; F306-L329 HydrophobicContact CB-CB 4.04Å; F306-L329 HydrophobicContact CB-CD1 4.3Å; F306-L329 HydrophobicContact CB-CG 4.23Å; L329-I331 HydrophobicContact CD2-CD1 4.1Å; L329-I331 HydrophobicContact CD2-CG1 3.65Å
330Y98.6Very high90.9Very high16 Ų1642.9 Ų42.96%0.06322%0.221CC..EExtended strand (participates in β ladder)trans-116.8143.9173.6-67.2-100.3000110.9W4 V6 H7 P288 L305 D328W4-Y330 HydrophobicContact CE3-CD1 4.36Å; W4-Y330 HydrophobicContact CE3-CG 4.39Å; W4-Y330 HydrophobicContact CZ3-CG 4.43Å; V6-Y330 CarbonylContact O-C 3.51Å; V6-Y330 VanDerWaalsContact O-CA 3.3Å; V6-Y330 WeakPolarHBondContact O-CA 3.5Å; H7-Y330 HydrophobicContact CB-CD1 4.13Å; H7-Y330 HydrophobicContact CB-CE1 4.02Å; H7-Y330 AromaticContact CD2-CD1 3.83Å; H7-Y330 AromaticContact CD2-CD2 3.96Å; H7-Y330 AromaticContact CD2-CE1 3.35Å; H7-Y330 WeakPolarHBondContact CD2-CE1 3.35Å; H7-Y330 AromaticContact CD2-CE2 3.49Å; H7-Y330 VanDerWaalsContact CD2-CE2 3.49Å; H7-Y330 WeakPolarHBondContact CD2-CE2 3.28Å; H7-Y330 AromaticContact CD2-CZ 3.13Å; H7-Y330 PolarHBondContact CD2-OH 3.48Å; H7-Y330 AromaticContact CG-CE1 3.7Å; H7-Y330 AromaticContact CG-CZ 3.89Å; H7-Y330 AromaticContact NE2-CE2 3.73Å; H7-Y330 AromaticContact NE2-CZ 3.37Å; H7-Y330 PolarHBondContact NE2-OH 2.81Å; H7-Y330 VanDerWaalsContact NE2-OH 3.16Å; P288-Y330 HydrophobicContact CB-CD2 3.86Å; P288-Y330 HydrophobicContact CB-CE1 4.41Å; P288-Y330 HydrophobicContact CB-CE2 3.7Å; P288-Y330 HydrophobicContact CB-CG 4.3Å; P288-Y330 HydrophobicContact CG-CD1 3.98Å; P288-Y330 HydrophobicContact CG-CD2 3.63Å; P288-Y330 HydrophobicContact CG-CE1 4.3Å; P288-Y330 HydrophobicContact CG-CE2 3.97Å; P288-Y330 HydrophobicContact CG-CG 3.63Å; L305-Y330 HydrophobicContact CD2-CD2 4.37Å; L305-Y330 PolarHBondContact N-O 3.2Å; L305-Y330 PolarHBondContact O-N 2.75Å; D328-Y330 HydrophobicContact CB-CE2 4.17Å; D328-Y330 VanDerWaalsContact OD2-CE2 3.26Å; D328-Y330 WeakPolarHBondContact OD2-CE2 3.42Å
331I98.6Very high93.1Very high4 Ų440.8 Ų40.82%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-116.1112.8171.7-55.2-172.8000109.6A5 V6 F49 L54 K302 I303 I304 L329A5-I331 PolarHBondContact N-O 3.45Å; V6-I331 HydrophobicContact CB-CB 3.87Å; V6-I331 HydrophobicContact CB-CD1 3.95Å; V6-I331 HydrophobicContact CB-CG1 3.87Å; V6-I331 HydrophobicContact CG1-CD1 4.25Å; V6-I331 HydrophobicContact CG1-CG1 4.38Å; V6-I331 HydrophobicContact CG2-CB 4.35Å; V6-I331 HydrophobicContact CG2-CD1 4.15Å; V6-I331 HydrophobicContact CG2-CG1 4.48Å; V6-I331 PolarHBondContact O-N 2.78Å; F49-I331 HydrophobicContact CE1-CD1 4.46Å; F49-I331 HydrophobicContact CZ-CD1 4.34Å; L54-I331 HydrophobicContact CD2-CD1 3.48Å; L54-I331 VanDerWaalsContact CD2-CD1 3.48Å; K302-I331 HydrophobicContact CB-CG2 3.76Å; K302-I331 HydrophobicContact CD-CG2 3.71Å; K302-I331 HydrophobicContact CG-CG2 4.14Å; I303-I331 WeakPolarHBondContact O-CA 3.21Å; I304-I331 HydrophobicContact CD1-CB 4.38Å; I304-I331 HydrophobicContact CD1-CD1 3.66Å; I304-I331 HydrophobicContact CD1-CG1 3.66Å; I304-I331 HydrophobicContact CD1-CG2 4.03Å; L329-I331 HydrophobicContact CD2-CD1 4.1Å; L329-I331 HydrophobicContact CD2-CG1 3.65Å
332L98.7Very high95Very high1 Ų135.6 Ų35.61%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-88.1116.8169.3-178.663.9000108.9L2 W4 F245 L268 P283 K302 I303 F334L2-L332 HydrophobicContact CD1-CD1 3.55Å; L2-L332 HydrophobicContact CD1-CD2 4.07Å; L2-L332 HydrophobicContact CD1-CG 3.62Å; L2-L332 HydrophobicContact CG-CD1 3.89Å; L2-L332 HydrophobicContact CG-CG 4.45Å; W4-L332 HydrophobicContact CD2-CB 4.23Å; W4-L332 HydrophobicContact CD2-CD1 3.96Å; W4-L332 HydrophobicContact CE3-CB 3.69Å; W4-L332 HydrophobicContact CE3-CD1 4.29Å; W4-L332 HydrophobicContact CG-CD1 4.31Å; W4-L332 HydrophobicContact CH2-CB 3.96Å; W4-L332 HydrophobicContact CH2-CD2 4.41Å; W4-L332 HydrophobicContact CZ2-CB 4.45Å; W4-L332 HydrophobicContact CZ2-CD1 4.36Å; W4-L332 HydrophobicContact CZ2-CD2 4.41Å; W4-L332 HydrophobicContact CZ3-CB 3.56Å; F245-L332 HydrophobicContact CZ-CD2 4.39Å; L268-L332 HydrophobicContact CD2-CD2 3.83Å; P283-L332 HydrophobicContact CB-CD1 3.8Å; P283-L332 HydrophobicContact CG-CD1 3.99Å; K302-L332 CarbonylContact C-O 3.49Å; K302-L332 WeakPolarHBondContact CA-O 3.44Å; I303-L332 HydrophobicContact CB-CB 4.21Å; I303-L332 PolarHBondContact N-O 3.34Å; I303-L332 PolarHBondContact O-N 2.84Å; L332-F334 HydrophobicContact CD2-CE2 3.84Å; L332-F334 HydrophobicContact CD2-CZ 4.17Å; L332-F334 HydrophobicContact CG-CE2 4.06Å
333D98.1Very high96Very high2 Ų233.8 Ų33.81%0.01119%0.187CC..EExtended strand (participates in β ladder)trans-103.4114.7-176.7-164.2-6.4000110.5L2 R3 A5 K302 S335 P336L2-D333 WeakPolarHBondContact CA-O 3.46Å; R3-D333 PolarHBondContact N-O 2.86Å; R3-D333 VanDerWaalsContact N-O 3.09Å; R3-D333 PolarHBondContact O-N 2.83Å; A5-D333 HydrophobicContact CB-CB 3.94Å; K302-D333 IonicContact NZ-OD1 3.67Å; K302-D333 PolarHBondContact NZ-OD1 2.95Å; K302-D333 IonicContact NZ-OD2 3.76Å; K302-D333 PolarHBondContact NZ-OD2 2.96Å; D333-S335 PolarHBondContact OD1-N 3.31Å; D333-P336 HydrophobicContact CB-CB 4.44Å; D333-P336 WeakPolarHBondContact OD2-CA 3.47Å
334F97.8Very high96.4Very high25 Ų2532.7 Ų32.711%0.1118%0.181CC..SBendtrans-76.1-28.9179.5-80.5-100.1000112.7L2 F245 Y247 Y252 D301 I303 L332L2-F334 HydrophobicContact CD1-CB 4.26Å; L2-F334 HydrophobicContact CD1-CD1 3.66Å; L2-F334 HydrophobicContact CD1-CD2 3.7Å; L2-F334 HydrophobicContact CD1-CE1 3.76Å; L2-F334 HydrophobicContact CD1-CE2 3.78Å; L2-F334 HydrophobicContact CD1-CG 3.62Å; L2-F334 HydrophobicContact CD1-CZ 3.83Å; L2-F334 HydrophobicContact CD2-CE1 4.25Å; F245-F334 AromaticContact CE2-CE2 3.9Å; F245-F334 HydrophobicContact CE2-CE2 3.9Å; F245-F334 AromaticContact CE2-CZ 3.71Å; F245-F334 HydrophobicContact CE2-CZ 3.71Å; F245-F334 HydrophobicContact CZ-CE2 4.26Å; F245-F334 HydrophobicContact CZ-CZ 4.09Å; Y247-F334 HydrophobicContact CD1-CB 4.34Å; Y247-F334 AromaticContact CD1-CD1 3.24Å; Y247-F334 HydrophobicContact CD1-CD1 3.24Å; Y247-F334 AromaticContact CD1-CE1 3.58Å; Y247-F334 HydrophobicContact CD1-CE1 3.58Å; Y247-F334 AromaticContact CD1-CG 3.78Å; Y247-F334 HydrophobicContact CD1-CG 3.78Å; Y247-F334 HydrophobicContact CD1-CZ 4.36Å; Y247-F334 HydrophobicContact CD2-CD2 4.48Å; Y247-F334 HydrophobicContact CD2-CG 4.29Å; Y247-F334 HydrophobicContact CE1-CB 3.62Å; Y247-F334 AromaticContact CE1-CD1 3.26Å; Y247-F334 HydrophobicContact CE1-CD1 3.26Å; Y247-F334 HydrophobicContact CE1-CE1 4.1Å; Y247-F334 AromaticContact CE1-CG 3.57Å; Y247-F334 HydrophobicContact CE1-CG 3.57Å; Y247-F334 HydrophobicContact CE2-CB 4.05Å; Y247-F334 HydrophobicContact CE2-CG 4.14Å; Y247-F334 AromaticContact CG-CD1 3.91Å; Y247-F334 HydrophobicContact CG-CD1 3.91Å; Y247-F334 HydrophobicContact CG-CD2 4.45Å; Y247-F334 HydrophobicContact CG-CE1 4.06Å; Y247-F334 HydrophobicContact CG-CG 4.12Å; Y247-F334 HydrophobicContact CG-CZ 4.4Å; Y247-F334 VanDerWaalsContact CZ-CB 3.46Å; Y247-F334 AromaticContact CZ-CD1 3.98Å; Y247-F334 AromaticContact CZ-CG 3.78Å; Y252-F334 HydrophobicContact CD1-CE1 4.47Å; Y252-F334 HydrophobicContact CD1-CZ 4.19Å; Y252-F334 AromaticContact CE1-CE1 3.73Å; Y252-F334 HydrophobicContact CE1-CE1 3.73Å; Y252-F334 AromaticContact CE1-CZ 3.89Å; Y252-F334 HydrophobicContact CE1-CZ 3.89Å; Y252-F334 HydrophobicContact CE2-CE1 4.09Å; Y252-F334 HydrophobicContact CE2-CZ 4.33Å; Y252-F334 HydrophobicContact CG-CZ 4.5Å; Y252-F334 AromaticContact CZ-CE1 3.51Å; Y252-F334 AromaticContact CZ-CZ 3.98Å; Y252-F334 WeakPolarHBondContact OH-CE1 3.12Å; D301-F334 WeakPolarHBondContact O-CB 2.98Å; D301-F334 PolarHBondContact O-N 3.47Å; I303-F334 HydrophobicContact CD1-CE2 4.47Å; I303-F334 HydrophobicContact CG1-CD2 4.23Å; I303-F334 HydrophobicContact CG1-CE2 3.6Å; L332-F334 HydrophobicContact CD2-CE2 3.84Å; L332-F334 HydrophobicContact CD2-CZ 4.17Å; L332-F334 HydrophobicContact CG-CE2 4.06Å
335S95.9Very high96.6Very high73 Ų7331.9 Ų31.951%0.5118%0.183SC..SBendtrans-136.565.5-175.5-160.60000111.1D333 S337D333-S335 PolarHBondContact OD1-N 3.31Å; S335-S337 PolarHBondContact O-N 2.89Å
336P95.7Very high96.8Very high14 Ų1432.5 Ų32.59%0.09119%0.186CC..  trans-65.6121.8179.327.3-34.4000110.3M1 R3 D333 T340 L341M1-P336 VanDerWaalsContact O-CG 3.25Å; M1-P336 WeakPolarHBondContact O-CG 3.5Å; R3-P336 HydrophobicContact CG-CG 4.27Å; D333-P336 HydrophobicContact CB-CB 4.44Å; D333-P336 WeakPolarHBondContact OD2-CA 3.47Å; P336-T340 HydrophobicContact CB-CG2 4.12Å; P336-L341 HydrophobicContact CB-CD2 4Å; P336-L341 HydrophobicContact CB-CG 4.28Å; P336-L341 HydrophobicContact CG-CD2 4.12Å
337S95.8Very high96.9Very high58 Ų5834.7 Ų34.741%0.40620%0.198SC..  trans-65.3163.2174.372.80000112S335 K339 T340 L341S335-S337 PolarHBondContact O-N 2.89Å; S337-K339 PolarHBondContact O-N 3.26Å; S337-K339 PolarHBondContact OG-N 2.94Å; S337-T340 WeakPolarHBondContact O-CB 3.41Å; S337-T340 PolarHBondContact O-N 3Å; S337-T340 PolarHBondContact OG-N 2.57Å; S337-T340 PolarHBondContact OG-OG1 3.32Å; S337-L341 WeakPolarHBondContact O-CG 3.41Å; S337-L341 PolarHBondContact O-N 2.72Å
338L96.6Very high96.8Very high134 Ų13440.5 Ų40.570%0.70223%0.225SC*.Hα-helixtrans-55.4-42.7171.2-179.260.6000111.3T340 L341 C342L338-T340 VanDerWaalsContact C-N 3.31Å; L338-T340 PolarHBondContact O-N 2.89Å; L338-L341 PolarHBondContact O-N 3.27Å; L338-L341 VanDerWaalsContact O-N 3.12Å; L338-C342 PolarHBondContact O-N 2.97Å; L338-C342 PolarHBondContact O-SG 3.42Å
339K96.1Very high96.8Very high86 Ų8647.7 Ų47.737%0.37425%0.253SS..Hα-helixtrans-54.7-47.2174.2-170.7-174.3-170.5-175.10111.2S337 C342 K343 D359 I360 E363S337-K339 PolarHBondContact O-N 3.26Å; S337-K339 PolarHBondContact OG-N 2.94Å; K339-C342 PolarHBondContact O-N 2.99Å; K339-K343 WeakPolarHBondContact O-CG 3.47Å; K339-K343 PolarHBondContact O-N 3.46Å; K339-D359 IonicContact NZ-OD2 3.93Å; K339-I360 HydrophobicContact CD-CD1 4.42Å; K339-E363 WeakPolarHBondContact CE-OE2 3.28Å; K339-E363 VanDerWaalsContact NZ-CD 3.32Å; K339-E363 IonicContact NZ-OE1 2.71Å; K339-E363 PolarHBondContact NZ-OE1 2.84Å; K339-E363 IonicContact NZ-OE2 3.26Å; K339-E363 PolarHBondContact NZ-OE2 2.64Å
340T95.6Very high96.8Very high19 Ų1952.7 Ų52.712%0.11729%0.288CS..Hα-helixtrans-60.7-47176.4-55.60000111.2P336 S337 L338 C342 K343 L344P336-T340 HydrophobicContact CB-CG2 4.12Å; S337-T340 WeakPolarHBondContact O-CB 3.41Å; S337-T340 PolarHBondContact O-N 3Å; S337-T340 PolarHBondContact OG-N 2.57Å; S337-T340 PolarHBondContact OG-OG1 3.32Å; L338-T340 VanDerWaalsContact C-N 3.31Å; L338-T340 PolarHBondContact O-N 2.89Å; T340-C342 PolarHBondContact O-N 2.96Å; T340-K343 PolarHBondContact O-N 2.99Å; T340-L344 HydrophobicContact CG2-CD1 4.07Å; T340-L344 VanDerWaalsContact O-CG 3.26Å; T340-L344 WeakPolarHBondContact O-CG 2.95Å; T340-L344 PolarHBondContact O-N 3.32Å
341L96.8Very high96.7Very high66 Ų6656 Ų5635%0.34631%0.307SS..Hα-helixtrans-63.8-40.4-179.3-65175.2000112.3R3 P336 S337 L338 L344 A345R3-L341 VanDerWaalsContact NH1-CD2 3.31Å; P336-L341 HydrophobicContact CB-CD2 4Å; P336-L341 HydrophobicContact CB-CG 4.28Å; P336-L341 HydrophobicContact CG-CD2 4.12Å; S337-L341 WeakPolarHBondContact O-CG 3.41Å; S337-L341 PolarHBondContact O-N 2.72Å; L338-L341 PolarHBondContact O-N 3.27Å; L338-L341 VanDerWaalsContact O-N 3.12Å; L341-L344 PolarHBondContact O-N 3.22Å; L341-A345 PolarHBondContact O-N 3.44Å
342C96.9Very high96.6Very high68 Ų6861.2 Ų61.246%0.45933%0.334SS..Hα-helixtrans-62.7-45174.2-680000111.6L338 K339 T340 L344 A345 V346L338-C342 PolarHBondContact O-N 2.97Å; L338-C342 PolarHBondContact O-SG 3.42Å; K339-C342 PolarHBondContact O-N 2.99Å; T340-C342 PolarHBondContact O-N 2.96Å; C342-L344 VanDerWaalsContact C-N 3.3Å; C342-L344 PolarHBondContact O-N 3.09Å; C342-A345 WeakPolarHBondContact O-CB 3.2Å; C342-A345 PolarHBondContact O-N 2.84Å; C342-A345 VanDerWaalsContact O-N 3.14Å; C342-V346 WeakPolarHBondContact O-CG2 3.45Å; C342-V346 PolarHBondContact O-N 3.27Å
343K96.9Very high96.4Very high27 Ų2764.6 Ų64.612%0.11735%0.35CS..Hα-helixtrans-58.9-42175.1-73.6-171.6-59.6-179.60112.2K339 T340 A345 V346 I347 E363 L364 M367K339-K343 WeakPolarHBondContact O-CG 3.47Å; K339-K343 PolarHBondContact O-N 3.46Å; T340-K343 PolarHBondContact O-N 2.99Å; K343-A345 VanDerWaalsContact C-N 3.31Å; K343-A345 PolarHBondContact O-N 2.89Å; K343-V346 PolarHBondContact O-N 3.5Å; K343-I347 WeakPolarHBondContact O-CG1 3.48Å; K343-I347 PolarHBondContact O-N 2.76Å; K343-E363 HydrophobicContact CD-CB 3.91Å; K343-E363 WeakPolarHBondContact CD-OE2 3.39Å; K343-E363 WeakPolarHBondContact CE-OE2 3.49Å; K343-E363 IonicContact NZ-OE2 2.72Å; K343-E363 PolarHBondContact NZ-OE2 3.4Å; K343-L364 HydrophobicContact CB-CD2 3.72Å; K343-L364 HydrophobicContact CD-CD2 4.38Å; K343-L364 HydrophobicContact CD-CG 4.45Å; K343-L364 HydrophobicContact CG-CD2 3.88Å; K343-L364 HydrophobicContact CG-CG 4.26Å; K343-M367 HydrophobicContact CB-SD 4.26Å; K343-M367 HydrophobicContact CD-SD 4.12Å
344L96.3Very high96.3Very high16 Ų1668.8 Ų68.88%0.08438%0.38CS..Hα-helixtrans-64.1-36.8177-66.1171.8000112.1R3 A5 T340 L341 C342 Q348 M367R3-L344 VanDerWaalsContact NH1-CD1 3.33Å; A5-L344 HydrophobicContact CB-CD1 4.15Å; A5-L344 WeakPolarHBondContact O-CD2 3.43Å; T340-L344 HydrophobicContact CG2-CD1 4.07Å; T340-L344 VanDerWaalsContact O-CG 3.26Å; T340-L344 WeakPolarHBondContact O-CG 2.95Å; T340-L344 PolarHBondContact O-N 3.32Å; L341-L344 PolarHBondContact O-N 3.22Å; C342-L344 VanDerWaalsContact C-N 3.3Å; C342-L344 PolarHBondContact O-N 3.09Å; L344-Q348 WeakPolarHBondContact O-CB 3.32Å; L344-Q348 PolarHBondContact O-N 2.99Å; L344-M367 HydrophobicContact CD2-CE 3.46Å; L344-M367 VanDerWaalsContact CD2-CE 3.46Å; L344-M367 HydrophobicContact CG-CE 4.17Å
345A96.8Very high96.2Very high34 Ų3472.6 Ų72.628%0.28141%0.408SS..Hα-helixtrans-66-44.2173.500000111.6L341 C342 K343 I347 Q348 Y349L341-A345 PolarHBondContact O-N 3.44Å; C342-A345 WeakPolarHBondContact O-CB 3.2Å; C342-A345 PolarHBondContact O-N 2.84Å; C342-A345 VanDerWaalsContact O-N 3.14Å; K343-A345 VanDerWaalsContact C-N 3.31Å; K343-A345 PolarHBondContact O-N 2.89Å; A345-I347 VanDerWaalsContact C-N 3.31Å; A345-I347 PolarHBondContact O-N 2.84Å; A345-Q348 PolarHBondContact O-N 3.01Å; A345-Y349 HydrophobicContact CB-CD2 4.29Å; A345-Y349 WeakPolarHBondContact O-CB 3.19Å; A345-Y349 VanDerWaalsContact O-CD2 3.26Å; A345-Y349 WeakPolarHBondContact O-CD2 3.49Å; A345-Y349 PolarHBondContact O-N 3.44Å
346V97.6Very high96.2Very high21 Ų2171.1 Ų71.113%0.12739%0.394CS..Hα-helixtrans-56.1-45.9175.5171.10000111.2C342 K343 S350 L351 Q353 L356 L364C342-V346 WeakPolarHBondContact O-CG2 3.45Å; C342-V346 PolarHBondContact O-N 3.27Å; K343-V346 PolarHBondContact O-N 3.5Å; V346-S350 WeakPolarHBondContact O-CA 3.4Å; V346-S350 PolarHBondContact O-N 3.18Å; V346-S350 VanDerWaalsContact O-N 3.12Å; V346-L351 HydrophobicContact CG1-CB 4.31Å; V346-L351 HydrophobicContact CG2-CD1 4.21Å; V346-L351 PolarHBondContact O-N 3.26Å; V346-Q353 HydrophobicContact CG1-CG 3.85Å; V346-L356 HydrophobicContact CG1-CD1 4.4Å; V346-L364 HydrophobicContact CB-CD2 4.15Å; V346-L364 HydrophobicContact CG1-CD1 3.84Å; V346-L364 HydrophobicContact CG1-CD2 4.03Å
347I95.9Very high96.2Very high55 Ų5574.1 Ų74.128%0.28241%0.413SS..Hα-helixtrans-67-48.8177.6-64.3165.2000111.1K343 A345 Y349 S350 L364 M367 T368K343-I347 WeakPolarHBondContact O-CG1 3.48Å; K343-I347 PolarHBondContact O-N 2.76Å; A345-I347 VanDerWaalsContact C-N 3.31Å; A345-I347 PolarHBondContact O-N 2.84Å; I347-Y349 VanDerWaalsContact C-N 3.33Å; I347-Y349 PolarHBondContact O-N 3.45Å; I347-S350 PolarHBondContact O-N 3.02Å; I347-L364 HydrophobicContact CD1-CD2 3.95Å; I347-L364 HydrophobicContact CG1-CD2 3.74Å; I347-M367 HydrophobicContact CD1-CB 3.95Å; I347-M367 HydrophobicContact CD1-CE 4.05Å; I347-M367 HydrophobicContact CD1-SD 4.38Å; I347-T368 HydrophobicContact CD1-CG2 3.79Å; I347-T368 HydrophobicContact CG1-CG2 3.92Å; I347-T368 HydrophobicContact CG2-CG2 3.95Å
348Q94.8Very high96.3Very high124 Ų12477.7 Ų77.758%0.57942%0.423SS*.Hα-helixtrans-63.8-36.7-174.4178.9178.5-13.800112.9L344 A345L344-Q348 WeakPolarHBondContact O-CB 3.32Å; L344-Q348 PolarHBondContact O-N 2.99Å; A345-Q348 PolarHBondContact O-N 3.01Å
349Y96.8Very high96.2Very high156 Ų15675.1 Ų75.161%0.61241%0.411SS*.THydrogen-bonded Turntrans-102.38.9-177.7-62.7-70000113.2A345 I347 L351A345-Y349 HydrophobicContact CB-CD2 4.29Å; A345-Y349 WeakPolarHBondContact O-CB 3.19Å; A345-Y349 VanDerWaalsContact O-CD2 3.26Å; A345-Y349 WeakPolarHBondContact O-CD2 3.49Å; A345-Y349 PolarHBondContact O-N 3.44Å; I347-Y349 VanDerWaalsContact C-N 3.33Å; I347-Y349 PolarHBondContact O-N 3.45Å; Y349-L351 PolarHBondContact O-N 3.34Å
350S95.9Very high96.2Very high108 Ų10872.6 Ų72.676%0.75540%0.401SS*.THydrogen-bonded Turntrans48.543-179-58.50000113.1V346 I347V346-S350 WeakPolarHBondContact O-CA 3.4Å; V346-S350 PolarHBondContact O-N 3.18Å; V346-S350 VanDerWaalsContact O-N 3.12Å; I347-S350 PolarHBondContact O-N 3.02Å
351L97.3Very high96.3Very high86 Ų8676.8 Ų76.845%0.4542%0.415SS..  trans-68.1150.5-177-56.8-178.5000110.8V346 Y349 Q353V346-L351 HydrophobicContact CG1-CB 4.31Å; V346-L351 HydrophobicContact CG2-CD1 4.21Å; V346-L351 PolarHBondContact O-N 3.26Å; Y349-L351 PolarHBondContact O-N 3.34Å; L351-Q353 WeakPolarHBondContact O-CG 3.35Å; L351-Q353 PolarHBondContact O-N 3.47Å
352D95.9Very high96.3Very high112 Ų11279.5 Ų79.560%0.59942%0.42SS*.  trans-59.5131.6175.7179.728.4000110.9S354D352-S354 WeakPolarHBondContact OD1-CB 3.38Å; D352-S354 PolarHBondContact OD1-N 3.33Å; D352-S354 PolarHBondContact OD1-OG 2.91Å; D352-S354 PolarHBondContact OD2-OG 3.06Å
353Q95.8Very high96.3Very high73 Ų7378.5 Ų78.534%0.34141%0.409SS..  trans-107.1-7.5-176.3-54.1-178.93100111.9V346 L351 C355 L356 R361 L364V346-Q353 HydrophobicContact CG1-CG 3.85Å; L351-Q353 WeakPolarHBondContact O-CG 3.35Å; L351-Q353 PolarHBondContact O-N 3.47Å; Q353-C355 VanDerWaalsContact C-N 3.25Å; Q353-C355 PolarHBondContact O-N 2.92Å; Q353-L356 HydrophobicContact CB-CD1 4.05Å; Q353-L356 HydrophobicContact CG-CD1 4.27Å; Q353-L356 WeakPolarHBondContact O-CB 3.4Å; Q353-L356 PolarHBondContact O-N 2.89Å; Q353-R361 VanDerWaalsContact O-CD 3.29Å; Q353-R361 WeakPolarHBondContact O-CD 3.45Å; Q353-L364 HydrophobicContact CG-CD1 4.27Å
354S95.1Very high96.3Very high90 Ų9077.2 Ų77.263%0.62940%0.403SS*.THydrogen-bonded Turntrans-58.9-35.3-171.9730000113.4D352 L356D352-S354 WeakPolarHBondContact OD1-CB 3.38Å; D352-S354 PolarHBondContact OD1-N 3.33Å; D352-S354 PolarHBondContact OD1-OG 2.91Å; D352-S354 PolarHBondContact OD2-OG 3.06Å; S354-L356 VanDerWaalsContact C-N 3.34Å
355C95.1Very high96.3Very high104 Ų10478.4 Ų78.470%0.70342%0.415SS*.THydrogen-bonded Turntrans-82.9-7.917962.50000114Q353Q353-C355 VanDerWaalsContact C-N 3.25Å; Q353-C355 PolarHBondContact O-N 2.92Å
356L96.1Very high96.3Very high43 Ų4376.9 Ų76.923%0.22540%0.403CS..SBendtrans-77.3143.5-176.3-61178.6000111.5V346 Q353 S354 I360 R361 L364V346-L356 HydrophobicContact CG1-CD1 4.4Å; Q353-L356 HydrophobicContact CB-CD1 4.05Å; Q353-L356 HydrophobicContact CG-CD1 4.27Å; Q353-L356 WeakPolarHBondContact O-CB 3.4Å; Q353-L356 PolarHBondContact O-N 2.89Å; S354-L356 VanDerWaalsContact C-N 3.34Å; L356-I360 HydrophobicContact CB-CB 4.42Å; L356-I360 HydrophobicContact CB-CG2 4.36Å; L356-I360 HydrophobicContact CD1-CG2 4.09Å; L356-R361 HydrophobicContact CB-CG 3.87Å; L356-R361 PolarHBondContact O-NE 3.35Å; L356-L364 HydrophobicContact CD1-CD1 3.54Å
357P97.1Very high96.2Very high76 Ų7676.6 Ų76.649%0.49440%0.4SS..  trans-52.5150.6172.1-27.936.5000112.7D359 I360 R361P357-D359 VanDerWaalsContact C-N 3.32Å; P357-D359 WeakPolarHBondContact CB-OD1 3.16Å; P357-D359 PolarHBondContact O-N 3.33Å; P357-I360 HydrophobicContact CB-CG1 4.16Å; P357-I360 HydrophobicContact CG-CG1 4.34Å; P357-I360 PolarHBondContact O-N 3.24Å; P357-I360 VanDerWaalsContact O-N 3.12Å; P357-R361 PolarHBondContact O-N 3.29Å
358H96.3Very high96.2Very high133 Ų13377.4 Ų77.462%0.61641%0.408SS*.Hα-helixtrans-57.2-42.2-174.3175.5-87.3000113.2I360 R361 W362H358-I360 PolarHBondContact O-N 2.92Å; H358-R361 PolarHBondContact O-N 2.85Å; H358-W362 WeakPolarHBondContact O-CB 3.46Å; H358-W362 PolarHBondContact O-N 3.37Å
359D95.5Very high96.2Very high81 Ų8175 Ų7543%0.43340%0.401SS..Hα-helixtrans-62.7-40.4177.765.6-47000112K339 P357 W362 E363K339-D359 IonicContact NZ-OD2 3.93Å; P357-D359 VanDerWaalsContact C-N 3.32Å; P357-D359 WeakPolarHBondContact CB-OD1 3.16Å; P357-D359 PolarHBondContact O-N 3.33Å; D359-W362 PolarHBondContact O-N 3.28Å; D359-E363 WeakPolarHBondContact O-CG 3.2Å; D359-E363 PolarHBondContact O-N 3.16Å
360I96.6Very high96.1Very high32 Ų3271.3 Ų71.316%0.16439%0.392CS..Hα-helixtrans-66.1-44.8176-54.9-57.8000111K339 L356 P357 H358 W362 E363 L364K339-I360 HydrophobicContact CD-CD1 4.42Å; L356-I360 HydrophobicContact CB-CB 4.42Å; L356-I360 HydrophobicContact CB-CG2 4.36Å; L356-I360 HydrophobicContact CD1-CG2 4.09Å; P357-I360 HydrophobicContact CB-CG1 4.16Å; P357-I360 HydrophobicContact CG-CG1 4.34Å; P357-I360 PolarHBondContact O-N 3.24Å; P357-I360 VanDerWaalsContact O-N 3.12Å; H358-I360 PolarHBondContact O-N 2.92Å; I360-W362 VanDerWaalsContact C-N 3.29Å; I360-W362 PolarHBondContact O-N 2.83Å; I360-E363 PolarHBondContact O-N 3.33Å; I360-L364 HydrophobicContact CG2-CD1 4.02Å; I360-L364 HydrophobicContact CG2-CG 4.45Å; I360-L364 WeakPolarHBondContact O-CB 3.36Å; I360-L364 VanDerWaalsContact O-CG 3.3Å; I360-L364 WeakPolarHBondContact O-CG 3.09Å; I360-L364 PolarHBondContact O-N 3.23Å
361R96.6Very high95.9Very high108 Ų10866.8 Ų66.841%0.40836%0.361SS..Hα-helixtrans-60.3-41175.4-70.2-169.7-70.8133-3.4111.6Q353 L356 P357 H358 L364 A365Q353-R361 VanDerWaalsContact O-CD 3.29Å; Q353-R361 WeakPolarHBondContact O-CD 3.45Å; L356-R361 HydrophobicContact CB-CG 3.87Å; L356-R361 PolarHBondContact O-NE 3.35Å; P357-R361 PolarHBondContact O-N 3.29Å; H358-R361 PolarHBondContact O-N 2.85Å; R361-L364 PolarHBondContact O-N 2.89Å; R361-A365 WeakPolarHBondContact O-CB 3.49Å; R361-A365 PolarHBondContact O-N 2.47Å
362W96.7Very high95.5Very high123 Ų12369.1 Ų69.147%0.46638%0.379SS..Hα-helixtrans-63.4-44.8175.7-176.492.2000111.9H358 D359 I360 L364 A365 A366H358-W362 WeakPolarHBondContact O-CB 3.46Å; H358-W362 PolarHBondContact O-N 3.37Å; D359-W362 PolarHBondContact O-N 3.28Å; I360-W362 VanDerWaalsContact C-N 3.29Å; I360-W362 PolarHBondContact O-N 2.83Å; W362-L364 VanDerWaalsContact C-N 3.34Å; W362-L364 PolarHBondContact O-N 2.99Å; W362-A365 PolarHBondContact O-N 3.39Å; W362-A366 HydrophobicContact CZ3-CB 4.42Å; W362-A366 WeakPolarHBondContact O-CB 3.14Å; W362-A366 PolarHBondContact O-N 3.43Å
363E96.6Very high95.2Very high46 Ų4666.5 Ų66.522%0.21536%0.364CS..Hα-helixtrans-64-38176.7-74.5179.7-17100112.6K339 K343 D359 I360 A366 M367K339-E363 WeakPolarHBondContact CE-OE2 3.28Å; K339-E363 VanDerWaalsContact NZ-CD 3.32Å; K339-E363 IonicContact NZ-OE1 2.71Å; K339-E363 PolarHBondContact NZ-OE1 2.84Å; K339-E363 IonicContact NZ-OE2 3.26Å; K339-E363 PolarHBondContact NZ-OE2 2.64Å; K343-E363 HydrophobicContact CD-CB 3.91Å; K343-E363 WeakPolarHBondContact CD-OE2 3.39Å; K343-E363 WeakPolarHBondContact CE-OE2 3.49Å; K343-E363 IonicContact NZ-OE2 2.72Å; K343-E363 PolarHBondContact NZ-OE2 3.4Å; D359-E363 WeakPolarHBondContact O-CG 3.2Å; D359-E363 PolarHBondContact O-N 3.16Å; I360-E363 PolarHBondContact O-N 3.33Å; E363-A366 WeakPolarHBondContact O-CB 3.38Å; E363-A366 PolarHBondContact O-N 2.85Å; E363-M367 VanDerWaalsContact O-CG 3.3Å; E363-M367 WeakPolarHBondContact O-CG 3.39Å; E363-M367 PolarHBondContact O-N 2.88Å; E363-M367 VanDerWaalsContact O-N 3.13Å
364L97.3Very high94.6Very high1 Ų163.9 Ų63.91%0.00535%0.354CS..Hα-helixtrans-63.3-47.3174.3-74166.4000110.7K343 V346 I347 Q353 L356 I360 R361 W362 A366 M367 T368K343-L364 HydrophobicContact CB-CD2 3.72Å; K343-L364 HydrophobicContact CD-CD2 4.38Å; K343-L364 HydrophobicContact CD-CG 4.45Å; K343-L364 HydrophobicContact CG-CD2 3.88Å; K343-L364 HydrophobicContact CG-CG 4.26Å; V346-L364 HydrophobicContact CB-CD2 4.15Å; V346-L364 HydrophobicContact CG1-CD1 3.84Å; V346-L364 HydrophobicContact CG1-CD2 4.03Å; I347-L364 HydrophobicContact CD1-CD2 3.95Å; I347-L364 HydrophobicContact CG1-CD2 3.74Å; Q353-L364 HydrophobicContact CG-CD1 4.27Å; L356-L364 HydrophobicContact CD1-CD1 3.54Å; I360-L364 HydrophobicContact CG2-CD1 4.02Å; I360-L364 HydrophobicContact CG2-CG 4.45Å; I360-L364 WeakPolarHBondContact O-CB 3.36Å; I360-L364 VanDerWaalsContact O-CG 3.3Å; I360-L364 WeakPolarHBondContact O-CG 3.09Å; I360-L364 PolarHBondContact O-N 3.23Å; R361-L364 PolarHBondContact O-N 2.89Å; W362-L364 VanDerWaalsContact C-N 3.34Å; W362-L364 PolarHBondContact O-N 2.99Å; L364-A366 VanDerWaalsContact C-N 3.3Å; L364-A366 PolarHBondContact O-N 2.98Å; L364-M367 PolarHBondContact O-N 2.75Å; L364-M367 VanDerWaalsContact O-N 3.15Å; L364-T368 PolarHBondContact O-N 3.02Å; L364-T368 PolarHBondContact O-OG1 3.37Å; L364-T368 VanDerWaalsContact O-OG1 3.08Å
365A96.4Very high93.3Very high40 Ų4069.6 Ų69.633%0.33136%0.362SS..Hα-helixtrans-62.7-36.4175.200000112.3R55 R361 W362 M367 T368 T369R55-A365 PolarHBondContact NH2-O 3.47Å; R361-A365 WeakPolarHBondContact O-CB 3.49Å; R361-A365 PolarHBondContact O-N 2.47Å; W362-A365 PolarHBondContact O-N 3.39Å; A365-M367 VanDerWaalsContact C-N 3.29Å; A365-M367 PolarHBondContact O-N 2.88Å; A365-T368 PolarHBondContact O-N 2.88Å; A365-T369 VanDerWaalsContact O-CB 3.24Å; A365-T369 WeakPolarHBondContact O-CB 3.29Å; A365-T369 PolarHBondContact O-N 3.02Å; A365-T369 PolarHBondContact O-OG1 3.21Å
366A96.3Very high91.8Very high3 Ų369.7 Ų69.73%0.02536%0.361CS..Hα-helixtrans-58.4-42.7173.700000111.4L54 R55 W362 E363 L364 T368L54-A366 HydrophobicContact CB-CB 4.47Å; L54-A366 HydrophobicContact CD1-CB 4.16Å; L54-A366 HydrophobicContact CG-CB 4.47Å; R55-A366 PolarHBondContact NH1-O 2.9Å; W362-A366 HydrophobicContact CZ3-CB 4.42Å; W362-A366 WeakPolarHBondContact O-CB 3.14Å; W362-A366 PolarHBondContact O-N 3.43Å; E363-A366 WeakPolarHBondContact O-CB 3.38Å; E363-A366 PolarHBondContact O-N 2.85Å; L364-A366 VanDerWaalsContact C-N 3.3Å; L364-A366 PolarHBondContact O-N 2.98Å; A366-T368 VanDerWaalsContact C-N 3.33Å; A366-T368 PolarHBondContact O-N 3.14Å
367M96.7Very high90.1Very high14 Ų1470.7 Ų70.77%0.06937%0.366CS..Hα-helixtrans-75.1-14.5-177.9-69.4174.467.200114.7V6 L8 L54 K343 L344 I347 E363 L364 A365V6-M367 HydrophobicContact CG2-CB 4.47Å; V6-M367 HydrophobicContact CG2-CE 3.89Å; V6-M367 HydrophobicContact CG2-CG 4.01Å; L8-M367 WeakPolarHBondContact CD2-O 3.42Å; L54-M367 HydrophobicContact CD1-CB 4.34Å; L54-M367 HydrophobicContact CD1-CG 3.69Å; K343-M367 HydrophobicContact CB-SD 4.26Å; K343-M367 HydrophobicContact CD-SD 4.12Å; L344-M367 HydrophobicContact CD2-CE 3.46Å; L344-M367 VanDerWaalsContact CD2-CE 3.46Å; L344-M367 HydrophobicContact CG-CE 4.17Å; I347-M367 HydrophobicContact CD1-CB 3.95Å; I347-M367 HydrophobicContact CD1-CE 4.05Å; I347-M367 HydrophobicContact CD1-SD 4.38Å; E363-M367 VanDerWaalsContact O-CG 3.3Å; E363-M367 WeakPolarHBondContact O-CG 3.39Å; E363-M367 PolarHBondContact O-N 2.88Å; E363-M367 VanDerWaalsContact O-N 3.13Å; L364-M367 PolarHBondContact O-N 2.75Å; L364-M367 VanDerWaalsContact O-N 3.15Å; A365-M367 VanDerWaalsContact C-N 3.29Å; A365-M367 PolarHBondContact O-N 2.88Å
368T95.6Very high87.8Confident73 Ų7373.1 Ų73.145%0.44838%0.379SS..Hα-helixtrans-122.6-16.5-173.356.70000114.7I347 L364 A365 A366I347-T368 HydrophobicContact CD1-CG2 3.79Å; I347-T368 HydrophobicContact CG1-CG2 3.92Å; I347-T368 HydrophobicContact CG2-CG2 3.95Å; L364-T368 PolarHBondContact O-N 3.02Å; L364-T368 PolarHBondContact O-OG1 3.37Å; L364-T368 VanDerWaalsContact O-OG1 3.08Å; A365-T368 PolarHBondContact O-N 2.88Å; A366-T368 VanDerWaalsContact C-N 3.33Å; A366-T368 PolarHBondContact O-N 3.14Å
369T95Very high85.1Confident72 Ų7270.9 Ų70.944%0.44238%0.379SS..PPolyproline II helixtrans-92.4119.6-179.4-53.40000110.4R55 A365R55-T369 PolarHBondContact NH1-O 2.89Å; R55-T369 VanDerWaalsContact NH1-O 3.08Å; R55-T369 VanDerWaalsContact NH2-CB 3.32Å; R55-T369 PolarHBondContact NH2-O 2.82Å; A365-T369 VanDerWaalsContact O-CB 3.24Å; A365-T369 WeakPolarHBondContact O-CB 3.29Å; A365-T369 PolarHBondContact O-N 3.02Å; A365-T369 PolarHBondContact O-OG1 3.21Å
370N94Very high82.1Confident79 Ų7971 Ų7142%0.42239%0.386SS..PPolyproline II helixtrans-66.4157.3-179.5-66.8-27.9000112.6E9E9-N370 HydrophobicContact CB-CB 4.25Å; E9-N370 PolarHBondContact N-OD1 3.21Å; E9-N370 WeakPolarHBondContact O-CB 3.19Å
371S91.7Very high79Confident13 Ų1377.8 Ų77.89%0.09142%0.417CS..PPolyproline II helixtrans-80.9167.8169.3-64.30000110.5E9 G10E9-S371 PolarHBondContact O-N 3.02Å; G10-S371 WeakPolarHBondContact CA-O 3.25Å; G10-S371 CarbonylContact O-C 3.53Å; G10-S371 VanDerWaalsContact O-C 3.23Å; G10-S371 VanDerWaalsContact O-CB 3.25Å; G10-S371 WeakPolarHBondContact O-CB 3.21Å
372T89.9Confident75.8Confident136 Ų13680 Ų8083%0.83447%0.473SS*.  trans-125.128.8-178.254.60000112.5G10G10-T372 PolarHBondContact O-N 3.27Å
373I88.9Confident74.8Confident56 Ų5677.8 Ų77.829%0.28747%0.473SS..SBendtrans-71.3-51.1-178.2-62.7-62.8000110.9G10 P12 H47 W56G10-I373 WeakPolarHBondContact O-CB 3.41Å; G10-I373 PolarHBondContact O-N 2.94Å; P12-I373 HydrophobicContact CB-CG2 4.05Å; H47-I373 WeakPolarHBondContact NE2-CG2 3.05Å; W56-I373 HydrophobicContact CB-CD1 4.14Å; W56-I373 HydrophobicContact CB-CG1 3.58Å; W56-I373 HydrophobicContact CG-CG1 4.48Å
374S82.9Confident73.6Confident19 Ų1979.5 Ų79.513%0.13349%0.487CS..SBendtrans-105.7152.7176.5-690000110.4G11 R13G11-S374 VanDerWaalsContact O-CB 3.28Å; G11-S374 WeakPolarHBondContact O-CB 3.4Å; G11-S374 PolarHBondContact O-OG 3.42Å; R13-S374 WeakPolarHBondContact CB-OG 3.44Å; R13-S374 PolarHBondContact N-OG 3.14Å
375R68.9Low72.3Confident210 Ų21083.8 Ų83.879%0.79251%0.513SS*.  trans-61.9148.2171.6-65.6-177.2-179.2-178.61.6109.7R13R13-R375 PolarHBondContact NH2-O 2.75Å
376P62.5Low70.9Confident105 Ų10586.4 Ų86.468%0.68252%0.524SS*.  trans-55148.1171.8-23.533.4000111.2R13 V378R13-P376 PolarHBondContact NH2-O 3.14Å; P376-V378 PolarHBondContact O-N 3.24Å; P376-V378 VanDerWaalsContact O-N 3.16Å
377I60.5Low69.3Low65 Ų6591.6 Ų91.633%0.33356%0.555SS.*  trans-71.3107.4164.8-57171.8000104.7M324 S379M324-I377 HydrophobicContact CE-CD1 4.35Å; M324-I377 HydrophobicContact CG-CD1 3.94Å; M324-I377 HydrophobicContact SD-CD1 3.82Å; M324-I377 HydrophobicContact SD-CG2 3.93Å; I377-S379 PolarHBondContact O-N 2.7Å
378V48.9Very low67.5Low127 Ų12796.8 Ų96.877%0.7759%0.588SS**  trans-68108.3175.8-174.60000105.9P376 S380P376-V378 PolarHBondContact O-N 3.24Å; P376-V378 VanDerWaalsContact O-N 3.16Å; V378-S380 PolarHBondContact O-N 3.16Å
379S39.4Very low65.5Low86 Ų8698.5 Ų98.560%0.60160%0.598SS**  trans-68.4120.8161.357.60000106.7I377 Q381I377-S379 PolarHBondContact O-N 2.7Å; S379-Q381 PolarHBondContact O-N 3.35Å
380S32.9Very low63.2Low83 Ų83100.5 Ų100.558%0.5861%0.61SS**  trans-63.176.9162.96.60000108.9E314 V378E314-S380 PolarHBondContact OE1-OG 3.08Å; V378-S380 PolarHBondContact O-N 3.16Å
381Q30.5Very low60.7Low174 Ų174102.3 Ų102.381%0.81363%0.625SS**  trans-134.393.3164.4-72.2-162.3-10.500108.1S379S379-Q381 PolarHBondContact O-N 3.35Å
382G30.6Very low57.8Low154 Ų154110.5 Ų110.5100%1.58867%0.674SS**  trans-93.20142.200000108.8

Retrieved 382 of 382 residues in 883.5 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).