A0A2K5X3N1_MACFA Loading...

Kelch domain-containing protein 3

Substrate-recognition component of a Cul2-RING (CRL2) E3 ubiquitin-protein ligase complex of the DesCEND (destruction via C-end degrons) pathway, which recognizes a C-degron located at the extreme C terminus of target proteins, leading to their ubiquitination and degradation. The C-degron recognized by the DesCEND pathway is usually a motif of less than ten residues and can be present in full-length proteins, truncated proteins or proteolytically cleaved forms. The CRL2(KLHDC3) complex specifically recognizes proteins with a glycine (Gly) at the C-terminus, leading to their ubiquitination and degradation: recognizes the C-terminal -Arg-(Xaa)n-Arg-Gly, -Arg-(Xaa)n-Lys-Gly, and -Arg-(Xaa)n-Gln-Gly degrons. The CRL2(KLHDC3) complex mediates ubiquitination and degradation of truncated SELENOV and SEPHS2 selenoproteins produced by failed UGA/Sec decoding, which end with a glycine. May be involved in meiotic recombination process.

AlphaFold DB , UniProt , Accession A0A2K5X3N1, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene KLHDC3, Length 388 aa.

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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
1M81.8Confident94.8Very high153 Ų15340.5 Ų40.575%0.75420%0.197SC*.  01280-174.7-179.7-76.200108.1R3 K284 P336M1-R3 PolarHBondContact O-N 3.45Å; M1-K284 HydrophobicContact CG-CD 4.49Å; M1-K284 HydrophobicContact SD-CD 3.49Å; M1-K284 WeakPolarHBondContact SD-CD 3.2Å; M1-K284 WeakPolarHBondContact SD-CE 2.94Å; M1-K284 HydrophobicContact SD-CG 4.1Å; M1-K284 PolarHBondContact SD-NZ 3.33Å; M1-P336 WeakPolarHBondContact O-CD 3.43Å; M1-P336 VanDerWaalsContact O-CG 3.29Å; M1-P336 WeakPolarHBondContact O-CG 3.45Å
2L94.5Very high94.7Very high26 Ų2637.3 Ų37.314%0.13618%0.182CC..  trans-47.7128.8-179179.171.5000112.5L268 I281 P283 K284 L332 D333 F334L2-L268 HydrophobicContact CD2-CD2 4.13Å; L2-I281 HydrophobicContact CD2-CG2 3.3Å; L2-P283 HydrophobicContact CD2-CB 4.35Å; L2-P283 HydrophobicContact CD2-CG 3.97Å; L2-P283 HydrophobicContact CG-CB 4.2Å; L2-P283 HydrophobicContact CG-CG 4.31Å; L2-K284 PolarHBondContact O-N 3.31Å; L2-K284 VanDerWaalsContact O-N 3.14Å; L2-L332 HydrophobicContact CD1-CD1 3.6Å; L2-L332 HydrophobicContact CD1-CD2 3.97Å; L2-L332 HydrophobicContact CD1-CG 3.61Å; L2-L332 HydrophobicContact CG-CD1 3.85Å; L2-L332 HydrophobicContact CG-CG 4.36Å; L2-D333 WeakPolarHBondContact CA-O 3.26Å; L2-D333 WeakPolarHBondContact CD1-O 3.33Å; L2-F334 HydrophobicContact CD1-CB 4.28Å; L2-F334 HydrophobicContact CD1-CD1 3.55Å; L2-F334 HydrophobicContact CD1-CD2 4.26Å; L2-F334 HydrophobicContact CD1-CE1 3.8Å; L2-F334 HydrophobicContact CD1-CG 3.78Å; L2-F334 HydrophobicContact CD1-CZ 4.29Å; L2-F334 HydrophobicContact CD2-CE1 4.49Å
3R96.6Very high94.6Very high63 Ų6337.2 Ų37.224%0.23818%0.178CC..EExtended strand (participates in β ladder)trans-155.4145.8-174173176.3-67.8-115.912.9112.7M1 T5 K284 D333M1-R3 PolarHBondContact O-N 3.45Å; R3-T5 HydrophobicContact CG-CG2 4.38Å; R3-T5 PolarHBondContact O-N 2.87Å; R3-K284 CarbonylContact C-O 3.55Å; R3-K284 VanDerWaalsContact CA-O 3.28Å; R3-K284 WeakPolarHBondContact CA-O 3.34Å; R3-K284 HydrophobicContact CB-CB 4.15Å; R3-K284 HydrophobicContact CG-CB 4.14Å; R3-K284 WeakPolarHBondContact CG-O 3.49Å; R3-D333 PolarHBondContact N-O 3.34Å; R3-D333 VanDerWaalsContact N-O 3.09Å; R3-D333 PolarHBondContact O-N 3.13Å
4W97.7Very high94.4Very high22 Ų2235.1 Ų35.18%0.08317%0.167CC..EExtended strand (participates in β ladder)trans-72117.7163.5-63.3104.9000110F254 K284 K286 G287 P288 L305 H330 I331 L332W4-F254 HydrophobicContact CZ2-CD2 4.42Å; W4-F254 AromaticContact CZ2-CE2 3.99Å; W4-F254 HydrophobicContact CZ2-CE2 3.99Å; W4-K284 PolarHBondContact N-O 2.85Å; W4-K286 WeakPolarHBondContact CB-O 3.36Å; W4-G287 VanDerWaalsContact CD1-CA 3.43Å; W4-P288 HydrophobicContact CH2-CG 3.89Å; W4-P288 VanDerWaalsContact CZ2-CD 3.49Å; W4-P288 HydrophobicContact CZ2-CG 4.18Å; W4-P288 HydrophobicContact CZ3-CG 4.2Å; W4-L305 HydrophobicContact CH2-CD1 4.32Å; W4-H330 HydrophobicContact CE3-CB 3.7Å; W4-H330 HydrophobicContact CZ3-CB 3.54Å; W4-I331 CarbonylContact C-O 3.54Å; W4-I331 WeakPolarHBondContact CA-O 3.09Å; W4-L332 HydrophobicContact CD2-CB 4.18Å; W4-L332 HydrophobicContact CD2-CD1 3.92Å; W4-L332 HydrophobicContact CE3-CB 3.7Å; W4-L332 HydrophobicContact CE3-CD1 4.32Å; W4-L332 HydrophobicContact CG-CD1 4.22Å; W4-L332 HydrophobicContact CH2-CB 3.91Å; W4-L332 HydrophobicContact CH2-CD2 4.41Å; W4-L332 HydrophobicContact CZ2-CB 4.35Å; W4-L332 HydrophobicContact CZ2-CD1 4.32Å; W4-L332 HydrophobicContact CZ2-CD2 4.34Å; W4-L332 HydrophobicContact CZ3-CB 3.57Å
5T97.5Very high94.4Very high8 Ų832.7 Ų32.75%0.04916%0.156CC..EExtended strand (participates in β ladder)trans-111.4-21.7-168.857.10000114.2R3 I331 D333 P336 T340 L344 M367R3-T5 HydrophobicContact CG-CG2 4.38Å; R3-T5 PolarHBondContact O-N 2.87Å; T5-I331 PolarHBondContact N-O 3.32Å; T5-I331 PolarHBondContact OG1-O 2.93Å; T5-D333 HydrophobicContact CG2-CB 3.47Å; T5-D333 VanDerWaalsContact CG2-CB 3.47Å; T5-P336 HydrophobicContact CG2-CB 4.37Å; T5-T340 HydrophobicContact CG2-CG2 4.01Å; T5-L344 HydrophobicContact CG2-CD1 4.16Å; T5-L344 VanDerWaalsContact O-CD2 3.23Å; T5-L344 WeakPolarHBondContact O-CD2 3.26Å; T5-M367 VanDerWaalsContact O-CE 3.24Å; T5-M367 WeakPolarHBondContact O-CE 3.14Å
6V97.2Very high94.5Very high12 Ų1231.8 Ų31.87%0.07315%0.152CC..EExtended strand (participates in β ladder)trans-138.5136.9-180178.30000107.9L8 L54 L329 H330 I331 M367V6-L8 HydrophobicContact CG1-CD1 3.82Å; V6-L8 HydrophobicContact CG1-CG 3.67Å; V6-L54 HydrophobicContact CG1-CD1 4.19Å; V6-L54 HydrophobicContact CG2-CD1 4.07Å; V6-L329 HydrophobicContact CG1-CD2 4.39Å; V6-H330 CarbonylContact O-C 3.49Å; V6-H330 VanDerWaalsContact O-CA 3.3Å; V6-H330 WeakPolarHBondContact O-CA 3.29Å; V6-I331 HydrophobicContact CB-CB 3.87Å; V6-I331 HydrophobicContact CB-CD1 4.02Å; V6-I331 HydrophobicContact CB-CG1 3.92Å; V6-I331 HydrophobicContact CG1-CD1 4.35Å; V6-I331 HydrophobicContact CG1-CG1 4.45Å; V6-I331 HydrophobicContact CG2-CB 4.23Å; V6-I331 HydrophobicContact CG2-CD1 4.08Å; V6-I331 HydrophobicContact CG2-CG1 4.41Å; V6-I331 PolarHBondContact O-N 2.83Å; V6-M367 HydrophobicContact CG2-CE 4.07Å; V6-M367 HydrophobicContact CG2-CG 4.06Å
7H97.2Very high94.6Very high75 Ų7530.6 Ų30.635%0.34715%0.147SC..EExtended strand (participates in β ladder)trans-135.3118.8167.117155.9000107.5E9 L329 H330H7-E9 IonicContact CE1-OE1 2.71Å; H7-E9 PolarHBondContact CE1-OE1 3.32Å; H7-E9 IonicContact NE2-OE1 3Å; H7-L329 VanDerWaalsContact CA-O 3.28Å; H7-L329 WeakPolarHBondContact CA-O 3.41Å; H7-H330 AromaticContact CE1-CE1 3.75Å; H7-H330 AromaticContact CE1-NE2 3.74Å; H7-H330 AromaticContact CG-CE1 3.81Å; H7-H330 AromaticContact ND1-CD2 4Å; H7-H330 AromaticContact ND1-CE1 3.1Å; H7-H330 PolarHBondContact ND1-CE1 2.98Å; H7-H330 AromaticContact ND1-ND1 3.73Å; H7-H330 AromaticContact ND1-NE2 3.28Å; H7-H330 PolarHBondContact ND1-NE2 3.33Å
8L96.8Very high94.8Very high5 Ų529.3 Ų29.33%0.02614%0.142CC..EExtended strand (participates in β ladder)trans-132148.9-178.8-68174.7000109.6V6 L54 D328 L329 M367 T369V6-L8 HydrophobicContact CG1-CD1 3.82Å; V6-L8 HydrophobicContact CG1-CG 3.67Å; L8-L54 HydrophobicContact CD1-CB 3.83Å; L8-D328 CarbonylContact O-C 3.52Å; L8-D328 VanDerWaalsContact O-CA 3.22Å; L8-D328 WeakPolarHBondContact O-CA 3.42Å; L8-L329 PolarHBondContact N-O 3.43Å; L8-L329 PolarHBondContact O-N 3.42Å; L8-M367 WeakPolarHBondContact CD2-O 3.11Å; L8-T369 WeakPolarHBondContact CD2-O 3.46Å
9E95.8Very high95Very high68 Ų6828.7 Ų28.732%0.31814%0.142SC..  trans-107.7172.9176.8-68.6-65.3167.400112.6H7 G11 D328 N370 S371H7-E9 IonicContact CE1-OE1 2.71Å; H7-E9 PolarHBondContact CE1-OE1 3.32Å; H7-E9 IonicContact NE2-OE1 3Å; E9-G11 VanDerWaalsContact C-N 3.3Å; E9-G11 PolarHBondContact O-N 2.75Å; E9-D328 WeakPolarHBondContact OE1-CB 3.43Å; E9-D328 WeakPolarHBondContact OE2-CB 3.46Å; E9-N370 HydrophobicContact CB-CB 4.36Å; E9-N370 PolarHBondContact N-OD1 3.26Å; E9-N370 WeakPolarHBondContact O-CB 3.44Å; E9-S371 PolarHBondContact O-N 3.35Å
10G92.8Very high95.2Very high12 Ų1228 Ų2812%0.12414%0.139CC..SBendtrans72.918.5170.600000115S327 S371 N372 I373G10-S327 PolarHBondContact N-O 3.49Å; G10-S371 WeakPolarHBondContact CA-O 3.5Å; G10-S371 CarbonylContact O-C 3.59Å; G10-S371 VanDerWaalsContact O-CB 3.32Å; G10-S371 WeakPolarHBondContact O-CB 3.42Å; G10-N372 PolarHBondContact O-N 3.29Å; G10-I373 PolarHBondContact O-N 2.79Å
11G94.9Very high95.3Very high2 Ų228 Ų282%0.02114%0.144CC..SBendtrans-69.5-170.4164.700000112.6E9 R13 S327 S374E9-G11 VanDerWaalsContact C-N 3.3Å; E9-G11 PolarHBondContact O-N 2.75Å; G11-R13 PolarHBondContact O-N 3.2Å; G11-S327 WeakPolarHBondContact CA-O 3.25Å; G11-S327 PolarHBondContact N-O 2.74Å; G11-S327 WeakPolarHBondContact O-CB 3.37Å; G11-S374 WeakPolarHBondContact O-CB 3.5Å; G11-S374 PolarHBondContact O-OG 3.04Å
12P93.9Very high96.1Very high2 Ų222 Ų221%0.01312%0.116CC..  trans-68118.9176.629.2-33.5000110.6R14 H47 W56 F306 I373P12-R14 HydrophobicContact CB-CG 4.09Å; P12-R14 PolarHBondContact O-N 3.04Å; P12-R14 VanDerWaalsContact O-N 3.09Å; P12-H47 HydrophobicContact CB-CB 4.22Å; P12-H47 HydrophobicContact CG-CB 4.1Å; P12-W56 VanDerWaalsContact CD-CE2 3.4Å; P12-W56 HydrophobicContact CG-CD2 4.03Å; P12-W56 HydrophobicContact CG-CE3 3.93Å; P12-W56 HydrophobicContact CG-CH2 3.96Å; P12-W56 HydrophobicContact CG-CZ2 4.04Å; P12-W56 HydrophobicContact CG-CZ3 3.9Å; P12-F306 HydrophobicContact CG-CD2 4.35Å; P12-F306 HydrophobicContact CG-CE2 4.47Å; P12-I373 HydrophobicContact CB-CG2 4.5Å
13R92.6Very high96.1Very high36 Ų3624 Ų2414%0.13614%0.142CC..  trans-76.492.7172.2-175.5-178.8-72.51696.7109.5G11 C33 D325 H326 S374 I377G11-R13 PolarHBondContact O-N 3.2Å; R13-C33 WeakPolarHBondContact CD-SG 3.41Å; R13-C33 WeakPolarHBondContact O-CB 3.37Å; R13-D325 HydrophobicContact CG-CB 3.49Å; R13-D325 VanDerWaalsContact CG-CB 3.49Å; R13-D325 PolarHBondContact NE-O 3.49Å; R13-H326 WeakPolarHBondContact CA-O 3.29Å; R13-S374 PolarHBondContact N-OG 3.38Å; R13-I377 VanDerWaalsContact NH1-CD1 3.35Å
14R92.3Very high96.1Very high7 Ų724.9 Ų24.93%0.02615%0.149CC..  trans-136.6142.6-175.9-62.9-65.6175.7-111.517.9111.1P12 H17 G30 Y32 E36 D45 G307 G308P12-R14 HydrophobicContact CB-CG 4.09Å; P12-R14 PolarHBondContact O-N 3.04Å; P12-R14 VanDerWaalsContact O-N 3.09Å; R14-H17 VanDerWaalsContact C-ND1 3.31Å; R14-H17 HydrophobicContact CB-CB 4Å; R14-H17 WeakPolarHBondContact CB-ND1 3.38Å; R14-H17 PolarHBondContact O-CE1 3.27Å; R14-H17 PolarHBondContact O-ND1 3.03Å; R14-G30 VanDerWaalsContact CD-O 3.28Å; R14-G30 WeakPolarHBondContact CD-O 3.37Å; R14-G30 WeakPolarHBondContact CG-O 3.36Å; R14-Y32 CarbonylContact C-O 3.52Å; R14-E36 IonicContact CZ-OE1 3.46Å; R14-E36 IonicContact CZ-OE2 3.77Å; R14-E36 IonicContact NH1-OE1 2.66Å; R14-E36 PolarHBondContact NH1-OE1 3.01Å; R14-E36 IonicContact NH1-OE2 3.37Å; R14-E36 IonicContact NH2-OE1 3.55Å; R14-E36 PolarHBondContact NH2-OE1 3.14Å; R14-E36 IonicContact NH2-OE2 2.75Å; R14-D45 IonicContact CZ-OD2 2.73Å; R14-D45 VanDerWaalsContact CZ-OD2 3.28Å; R14-D45 IonicContact NE-OD1 2.86Å; R14-D45 IonicContact NE-OD2 3.02Å; R14-D45 PolarHBondContact NE-OD2 3.12Å; R14-D45 VanDerWaalsContact NE-OD2 3.13Å; R14-D45 IonicContact NH2-OD2 3.82Å; R14-D45 PolarHBondContact NH2-OD2 2.94Å; R14-G307 WeakPolarHBondContact O-CA 3.42Å; R14-G308 PolarHBondContact O-N 3.05Å
15V94.1Very high96.1Very high0 Ų028.3 Ų28.30%016%0.162CC..BIsolated β-bridgetrans-126.9134.5-179.5-171.10000108.4H17 G31 Y32 R293 T309 D325V15-H17 PolarHBondContact O-N 3.49Å; V15-H17 VanDerWaalsContact O-N 3.13Å; V15-G31 CarbonylContact O-C 3.55Å; V15-G31 VanDerWaalsContact O-CA 3.24Å; V15-G31 WeakPolarHBondContact O-CA 3.44Å; V15-Y32 HydrophobicContact CB-CD1 3.75Å; V15-Y32 HydrophobicContact CB-CD2 4.45Å; V15-Y32 HydrophobicContact CB-CE1 3.45Å; V15-Y32 VanDerWaalsContact CB-CE1 3.45Å; V15-Y32 HydrophobicContact CB-CE2 4.16Å; V15-Y32 HydrophobicContact CB-CG 4.24Å; V15-Y32 WeakPolarHBondContact CB-O 3.32Å; V15-Y32 HydrophobicContact CG1-CD1 4.05Å; V15-Y32 HydrophobicContact CG1-CE1 3.28Å; V15-Y32 HydrophobicContact CG1-CE2 4.44Å; V15-Y32 HydrophobicContact CG2-CE1 4.43Å; V15-Y32 HydrophobicContact CG2-CE2 4.35Å; V15-Y32 PolarHBondContact N-O 3.01Å; V15-Y32 WeakPolarHBondContact O-CD1 3.45Å; V15-Y32 PolarHBondContact O-N 2.96Å; V15-R293 HydrophobicContact CG1-CB 3.46Å; V15-R293 VanDerWaalsContact CG1-CB 3.46Å; V15-R293 HydrophobicContact CG1-CG 4.17Å; V15-T309 HydrophobicContact CB-CG2 4.14Å; V15-T309 HydrophobicContact CG1-CG2 3.56Å; V15-T309 HydrophobicContact CG2-CG2 3.44Å; V15-T309 VanDerWaalsContact CG2-CG2 3.44Å; V15-D325 HydrophobicContact CG2-CB 3.98Å; V15-D325 WeakPolarHBondContact CG2-OD1 3.31Å
16N95.7Very high96.2Very high18 Ų1827.9 Ų27.910%0.09616%0.16CC..SBendtrans58.130.9177.8-155.742.6000112.4Y32 G79 R293N16-Y32 HydrophobicContact CB-CD1 4.29Å; N16-Y32 HydrophobicContact CB-CE1 4.33Å; N16-G79 WeakPolarHBondContact ND2-CA 3.27Å; N16-G79 PolarHBondContact ND2-N 3.14Å; N16-G79 VanDerWaalsContact ND2-N 3.11Å; N16-G79 PolarHBondContact O-N 3.48Å; N16-R293 HydrophobicContact CB-CB 4.1Å; N16-R293 HydrophobicContact CB-CG 4.22Å; N16-R293 PolarHBondContact N-O 3.42Å
17H97.4Very high96.2Very high11 Ų1127.6 Ų27.65%0.05116%0.157CC..  trans-80.217316859.3-79.8000109.8R14 V15 S28 G30 C295 F306R14-H17 VanDerWaalsContact C-ND1 3.31Å; R14-H17 HydrophobicContact CB-CB 4Å; R14-H17 WeakPolarHBondContact CB-ND1 3.38Å; R14-H17 PolarHBondContact O-CE1 3.27Å; R14-H17 PolarHBondContact O-ND1 3.03Å; V15-H17 PolarHBondContact O-N 3.49Å; V15-H17 VanDerWaalsContact O-N 3.13Å; H17-S28 PolarHBondContact CD2-OG 3.46Å; H17-G30 WeakPolarHBondContact CB-O 3.3Å; H17-C295 PolarHBondContact CD2-SG 2.85Å; H17-C295 VanDerWaalsContact NE2-CB 3.34Å; H17-C295 WeakPolarHBondContact NE2-CB 3.44Å; H17-C295 PolarHBondContact NE2-SG 2.91Å; H17-C295 VanDerWaalsContact NE2-SG 3.45Å; H17-C295 PolarHBondContact O-SG 2.83Å; H17-F306 AromaticContact CD2-CE2 3.73Å; H17-F306 AromaticContact NE2-CD2 3.61Å; H17-F306 AromaticContact NE2-CE2 3.09Å; H17-F306 WeakPolarHBondContact NE2-CE2 3.41Å; H17-F306 AromaticContact NE2-CZ 3.67Å
18A98.3Very high96.3Very high8 Ų824 Ų247%0.06614%0.141CC..EExtended strand (participates in β ladder)trans-125.7147.1174.300000110.1F29 T82A18-F29 PolarHBondContact N-O 3.24Å; A18-F29 PolarHBondContact O-N 3.08Å; A18-T82 HydrophobicContact CB-CG2 3.88Å; A18-T82 VanDerWaalsContact CB-OG1 3.3Å; A18-T82 WeakPolarHBondContact CB-OG1 3.2Å
19A98.4Very high96.3Very high18 Ų1823.8 Ų23.815%0.14914%0.14CC..EExtended strand (participates in β ladder)trans-145.9150.8-176.200000112.7V26 Y27 T82 C295 F306A19-V26 HydrophobicContact CB-CG1 4.13Å; A19-Y27 CarbonylContact C-O 3.51Å; A19-Y27 WeakPolarHBondContact CA-O 3.46Å; A19-Y27 VanDerWaalsContact CB-O 3.29Å; A19-Y27 WeakPolarHBondContact CB-O 3.2Å; A19-T82 PolarHBondContact N-OG1 2.86Å; A19-C295 HydrophobicContact CB-CB 4.08Å; A19-F306 HydrophobicContact CB-CE1 4.36Å; A19-F306 HydrophobicContact CB-CZ 3.77Å
20V98.4Very high96.3Very high13 Ų1320.6 Ų20.68%0.07912%0.124CC..EExtended strand (participates in β ladder)trans-134.8147176.8-64.40000110.9V26 Y27 F29 L84 V89V20-V26 CarbonylContact O-C 3.49Å; V20-V26 WeakPolarHBondContact O-CA 3.35Å; V20-Y27 PolarHBondContact N-O 3.08Å; V20-Y27 PolarHBondContact O-N 3.4Å; V20-F29 HydrophobicContact CG2-CE2 4.21Å; V20-L84 HydrophobicContact CB-CB 4.31Å; V20-L84 HydrophobicContact CG1-CB 4.47Å; V20-V89 HydrophobicContact CG1-CG1 4.42Å; V20-V89 HydrophobicContact CG2-CB 4.39Å; V20-V89 HydrophobicContact CG2-CG1 3.89Å; V20-V89 HydrophobicContact CG2-CG2 3.58Å
21A98Very high96.4Very high28 Ų2820 Ų2023%0.23112%0.119CC..EExtended strand (participates in β ladder)trans-91.7136.8171.900000110.9R25 V26 L84 C297 I298 V299A21-R25 CarbonylContact C-O 3.58Å; A21-R25 WeakPolarHBondContact CA-O 3.14Å; A21-V26 HydrophobicContact CB-CG2 4.44Å; A21-L84 WeakPolarHBondContact O-CD2 3.45Å; A21-C297 HydrophobicContact CB-CB 4.1Å; A21-I298 WeakPolarHBondContact CB-O 3.45Å; A21-V299 HydrophobicContact CB-CG2 3.98Å
22V97.1Very high96Very high29 Ų2921.8 Ų21.818%0.17613%0.125CC..EExtended strand (participates in β ladder)trans-133.4104.1176.3-174.80000107.5H24 R25 Y27 L84 V110V22-H24 PolarHBondContact O-N 2.98Å; V22-R25 PolarHBondContact N-O 3.31Å; V22-R25 PolarHBondContact O-N 2.95Å; V22-Y27 HydrophobicContact CB-CD2 4.15Å; V22-Y27 HydrophobicContact CB-CE2 3.9Å; V22-Y27 HydrophobicContact CG2-CD2 3.71Å; V22-Y27 HydrophobicContact CG2-CE2 3.84Å; V22-L84 HydrophobicContact CB-CD2 4.47Å; V22-L84 HydrophobicContact CG2-CD1 3.97Å; V22-L84 HydrophobicContact CG2-CD2 3.84Å; V22-V110 HydrophobicContact CG1-CG2 4.01Å; V22-V110 HydrophobicContact CG2-CG1 4.07Å
23G95.8Very high95.8Very high67 Ų6722 Ų2269%0.69113%0.126SC*.THydrogen-bonded Turntrans56.4-120.4-171.900000111.6R25G23-R25 VanDerWaalsContact C-N 3.35Å
24H96.4Very high95.4Very high82 Ų8223.7 Ų23.738%0.3814%0.144SC..THydrogen-bonded Turntrans-91.611177.966-88.5000113.8V22 N50 A51 V52V22-H24 PolarHBondContact O-N 2.98Å; H24-N50 PolarHBondContact CD2-OD1 3.22Å; H24-A51 VanDerWaalsContact O-CB 3.23Å; H24-A51 WeakPolarHBondContact O-CB 3.49Å; H24-A51 PolarHBondContact O-N 3.13Å; H24-V52 HydrophobicContact CB-CG2 4.03Å
25R97.9Very high94.8Very high93 Ų9327.6 Ų27.635%0.35119%0.186SC..EExtended strand (participates in β ladder)trans-116.1151.4-177.2-61.2-178.7-176.2-1711.7111.3A21 V22 G23 Y27 I48 F49A21-R25 CarbonylContact C-O 3.58Å; A21-R25 WeakPolarHBondContact CA-O 3.14Å; V22-R25 PolarHBondContact N-O 3.31Å; V22-R25 PolarHBondContact O-N 2.95Å; G23-R25 VanDerWaalsContact C-N 3.35Å; R25-Y27 HydrophobicContact CB-CE2 4.03Å; R25-I48 HydrophobicContact CB-CG2 4.12Å; R25-I48 HydrophobicContact CG-CG2 4.35Å; R25-F49 CarbonylContact C-O 3.51Å; R25-F49 WeakPolarHBondContact CA-O 3.26Å
26V98.5Very high94Very high0 Ų030.3 Ų30.30%020%0.199CC..EExtended strand (participates in β ladder)trans-118.8125.6168.7178.90000108.5A19 V20 A21 I48 F49 C297 V299 V304 F306A19-V26 HydrophobicContact CB-CG1 4.13Å; V20-V26 CarbonylContact O-C 3.49Å; V20-V26 WeakPolarHBondContact O-CA 3.35Å; A21-V26 HydrophobicContact CB-CG2 4.44Å; V26-I48 CarbonylContact O-C 3.59Å; V26-I48 WeakPolarHBondContact O-CA 3.48Å; V26-F49 HydrophobicContact CB-CB 4.17Å; V26-F49 HydrophobicContact CG2-CD1 4.47Å; V26-F49 PolarHBondContact N-O 3.4Å; V26-F49 PolarHBondContact O-N 2.68Å; V26-C297 HydrophobicContact CG1-CB 3.97Å; V26-C297 VanDerWaalsContact CG1-SG 3.59Å; V26-C297 HydrophobicContact CG2-CB 3.93Å; V26-V299 HydrophobicContact CG2-CG2 3.55Å; V26-V304 HydrophobicContact CG2-CB 4.34Å; V26-V304 HydrophobicContact CG2-CG2 4.33Å; V26-F306 HydrophobicContact CG1-CE1 3.99Å; V26-F306 HydrophobicContact CG1-CZ 4.24Å
27Y98.6Very high92.9Very high6 Ų633.4 Ų33.42%0.02422%0.215CC..EExtended strand (participates in β ladder)trans-100.3125.7174.4-69.5-103000108.8A19 V20 V22 R25 V46 H47 I48 F108 V110 H113A19-Y27 CarbonylContact C-O 3.51Å; A19-Y27 WeakPolarHBondContact CA-O 3.46Å; A19-Y27 VanDerWaalsContact CB-O 3.29Å; A19-Y27 WeakPolarHBondContact CB-O 3.2Å; V20-Y27 PolarHBondContact N-O 3.08Å; V20-Y27 PolarHBondContact O-N 3.4Å; V22-Y27 HydrophobicContact CB-CD2 4.15Å; V22-Y27 HydrophobicContact CB-CE2 3.9Å; V22-Y27 HydrophobicContact CG2-CD2 3.71Å; V22-Y27 HydrophobicContact CG2-CE2 3.84Å; R25-Y27 HydrophobicContact CB-CE2 4.03Å; Y27-V46 HydrophobicContact CD1-CG1 4.11Å; Y27-H47 CarbonylContact C-O 3.48Å; Y27-H47 WeakPolarHBondContact CA-O 3.38Å; Y27-I48 HydrophobicContact CD1-CD1 4Å; Y27-I48 HydrophobicContact CD1-CG1 3.7Å; Y27-I48 HydrophobicContact CE1-CD1 3.37Å; Y27-I48 HydrophobicContact CE1-CG1 3.61Å; Y27-I48 HydrophobicContact CE1-CG2 4.38Å; Y27-I48 HydrophobicContact CG-CG1 4.49Å; Y27-F108 HydrophobicContact CD1-CE1 4.01Å; Y27-F108 HydrophobicContact CE1-CE1 4.01Å; Y27-V110 HydrophobicContact CE2-CB 4.5Å; Y27-V110 PolarHBondContact OH-O 2.84Å; Y27-H113 AromaticContact CE1-NE2 3.73Å; Y27-H113 AromaticContact CZ-NE2 3.89Å; Y27-H113 PolarHBondContact OH-NE2 2.82Å; Y27-H113 VanDerWaalsContact OH-NE2 3.13Å
28S98.3Very high91.5Very high0 Ų034 Ų340%022%0.217CC..EExtended strand (participates in β ladder)trans-115.4135177.5178.60000110.2H17 V46 H47H17-S28 PolarHBondContact CD2-OG 3.46Å; S28-V46 WeakPolarHBondContact O-CA 3.42Å; S28-H47 PolarHBondContact N-O 3.29Å; S28-H47 PolarHBondContact O-N 3.19Å
29F97.8Very high89.8Confident0 Ų040.9 Ų40.90%025%0.248CC..EExtended strand (participates in β ladder)trans-124.8120-171.8-59.6-92.7000110.8A18 V20 I44 D45 V46 H80 T82 V89 L91 F108 W115A18-F29 PolarHBondContact N-O 3.24Å; A18-F29 PolarHBondContact O-N 3.08Å; V20-F29 HydrophobicContact CG2-CE2 4.21Å; F29-I44 HydrophobicContact CB-CD1 4.08Å; F29-D45 WeakPolarHBondContact CA-O 3.28Å; F29-V46 HydrophobicContact CD1-CB 4.47Å; F29-V46 HydrophobicContact CD1-CG1 4.18Å; F29-V46 HydrophobicContact CD1-CG2 3.73Å; F29-V46 HydrophobicContact CE1-CB 4.4Å; F29-V46 HydrophobicContact CE1-CG1 3.77Å; F29-V46 HydrophobicContact CE1-CG2 3.78Å; F29-V46 HydrophobicContact CZ-CG1 4.21Å; F29-H80 PolarHBondContact O-CE1 3.31Å; F29-H80 PolarHBondContact O-NE2 3.3Å; F29-T82 HydrophobicContact CB-CG2 4.39Å; F29-T82 HydrophobicContact CD2-CG2 4.02Å; F29-T82 HydrophobicContact CG-CG2 4.3Å; F29-V89 HydrophobicContact CE2-CB 4.43Å; F29-V89 HydrophobicContact CE2-CG1 3.81Å; F29-V89 HydrophobicContact CE2-CG2 4.35Å; F29-V89 HydrophobicContact CZ-CB 4.14Å; F29-V89 HydrophobicContact CZ-CG1 3.96Å; F29-V89 HydrophobicContact CZ-CG2 4.08Å; F29-L91 HydrophobicContact CB-CD1 4.29Å; F29-F108 HydrophobicContact CE1-CB 4.18Å; F29-F108 AromaticContact CE1-CD1 3.91Å; F29-F108 HydrophobicContact CE1-CD1 3.91Å; F29-F108 HydrophobicContact CE1-CD2 4.45Å; F29-F108 HydrophobicContact CE1-CE1 4.41Å; F29-F108 AromaticContact CE1-CG 3.92Å; F29-F108 HydrophobicContact CE1-CG 3.92Å; F29-F108 AromaticContact CZ-CD1 3.89Å; F29-F108 HydrophobicContact CZ-CD1 3.89Å; F29-F108 HydrophobicContact CZ-CE1 4.4Å; F29-F108 HydrophobicContact CZ-CG 4.3Å; F29-W115 AromaticContact CD1-CH2 3.6Å; F29-W115 HydrophobicContact CD1-CH2 3.6Å; F29-W115 AromaticContact CD1-CZ2 3.62Å; F29-W115 HydrophobicContact CD1-CZ2 3.62Å; F29-W115 AromaticContact CE1-CH2 3.82Å; F29-W115 HydrophobicContact CE1-CH2 3.82Å; F29-W115 AromaticContact CE1-CZ2 3.78Å; F29-W115 HydrophobicContact CE1-CZ2 3.78Å
30G95.3Very high88.1Confident0 Ų042.3 Ų42.30%026%0.255CS..  trans61-140.2170.700000114.3R14 H17 D45R14-G30 VanDerWaalsContact CD-O 3.28Å; R14-G30 WeakPolarHBondContact CD-O 3.37Å; R14-G30 WeakPolarHBondContact CG-O 3.36Å; H17-G30 WeakPolarHBondContact CB-O 3.3Å; G30-D45 WeakPolarHBondContact CA-OD1 3.37Å; G30-D45 PolarHBondContact N-O 2.61Å; G30-D45 VanDerWaalsContact N-O 3.09Å; G30-D45 PolarHBondContact N-OD1 3.38Å
31G93.6Very high86.8Confident0 Ų047.4 Ų47.40%028%0.281CS..  trans94.9177-16800000111.9V15 R77V15-G31 CarbonylContact O-C 3.55Å; V15-G31 VanDerWaalsContact O-CA 3.24Å; V15-G31 WeakPolarHBondContact O-CA 3.44Å; G31-R77 WeakPolarHBondContact CA-O 3.4Å; G31-R77 PolarHBondContact N-O 2.86Å
32Y88.4Confident86.1Confident39 Ų3951.5 Ų51.515%0.15329%0.291CS..BIsolated β-bridgetrans-110.8162.5173.586.5-90.5000111.9R14 V15 N16 Y38 Y78 R293R14-Y32 CarbonylContact C-O 3.52Å; V15-Y32 HydrophobicContact CB-CD1 3.75Å; V15-Y32 HydrophobicContact CB-CD2 4.45Å; V15-Y32 HydrophobicContact CB-CE1 3.45Å; V15-Y32 VanDerWaalsContact CB-CE1 3.45Å; V15-Y32 HydrophobicContact CB-CE2 4.16Å; V15-Y32 HydrophobicContact CB-CG 4.24Å; V15-Y32 WeakPolarHBondContact CB-O 3.32Å; V15-Y32 HydrophobicContact CG1-CD1 4.05Å; V15-Y32 HydrophobicContact CG1-CE1 3.28Å; V15-Y32 HydrophobicContact CG1-CE2 4.44Å; V15-Y32 HydrophobicContact CG2-CE1 4.43Å; V15-Y32 HydrophobicContact CG2-CE2 4.35Å; V15-Y32 PolarHBondContact N-O 3.01Å; V15-Y32 WeakPolarHBondContact O-CD1 3.45Å; V15-Y32 PolarHBondContact O-N 2.96Å; N16-Y32 HydrophobicContact CB-CD1 4.29Å; N16-Y32 HydrophobicContact CB-CE1 4.33Å; Y32-Y38 VanDerWaalsContact C-OH 3.3Å; Y32-Y38 VanDerWaalsContact CA-CZ 3.44Å; Y32-Y38 VanDerWaalsContact CA-OH 3.25Å; Y32-Y38 WeakPolarHBondContact CA-OH 3.41Å; Y32-Y78 HydrophobicContact CD1-CD1 4.44Å; Y32-Y78 HydrophobicContact CD1-CG 4.25Å; Y32-R293 PolarHBondContact OH-NH1 2.66Å
33C87.9Confident85.7Confident7 Ų753.1 Ų53.15%0.04730%0.297CS..  trans-151.1123.5178.6177.40000107.6R13 G35 E36 Y38 D325R13-C33 WeakPolarHBondContact CD-SG 3.41Å; R13-C33 WeakPolarHBondContact O-CB 3.37Å; C33-G35 PolarHBondContact O-N 2.93Å; C33-E36 HydrophobicContact CB-CG 3.99Å; C33-E36 WeakPolarHBondContact O-CB 3.42Å; C33-E36 PolarHBondContact O-N 3.43Å; C33-Y38 PolarHBondContact N-OH 3.25Å; C33-Y38 VanDerWaalsContact O-CE2 3.31Å; C33-Y38 WeakPolarHBondContact O-CE2 3.28Å; C33-Y38 PolarHBondContact O-OH 3.08Å; C33-D325 WeakPolarHBondContact CA-OD2 3.49Å
34S85.4Confident85.5Confident72 Ų7250.3 Ų50.350%0.50327%0.265SS..THydrogen-bonded Turntrans-51.8132.2176-50.30000110.6E36 D325S34-E36 VanDerWaalsContact C-N 3.32Å; S34-E36 PolarHBondContact O-N 3.02Å; S34-D325 WeakPolarHBondContact CA-OD2 3.46Å; S34-D325 WeakPolarHBondContact CB-OD2 3.28Å; S34-D325 PolarHBondContact N-OD2 3.41Å; S34-D325 PolarHBondContact OG-OD1 3.07Å; S34-D325 PolarHBondContact OG-OD2 3.4Å
35G78.6Confident85.4Confident89 Ų8947 Ų4792%0.91825%0.25SS*.THydrogen-bonded Turntrans82.3-4-176.800000115.6C33C33-G35 PolarHBondContact O-N 2.93Å
36E78.9Confident85.3Confident57 Ų5742.8 Ų42.827%0.26624%0.235SC..SBendtrans-84.5147.6164.7-68-170.9-179.900110.6R14 C33 S34 Y38R14-E36 IonicContact CZ-OE1 3.46Å; R14-E36 IonicContact CZ-OE2 3.77Å; R14-E36 IonicContact NH1-OE1 2.66Å; R14-E36 PolarHBondContact NH1-OE1 3.01Å; R14-E36 IonicContact NH1-OE2 3.37Å; R14-E36 IonicContact NH2-OE1 3.55Å; R14-E36 PolarHBondContact NH2-OE1 3.14Å; R14-E36 IonicContact NH2-OE2 2.75Å; C33-E36 HydrophobicContact CB-CG 3.99Å; C33-E36 WeakPolarHBondContact O-CB 3.42Å; C33-E36 PolarHBondContact O-N 3.43Å; S34-E36 VanDerWaalsContact C-N 3.32Å; S34-E36 PolarHBondContact O-N 3.02Å; E36-Y38 HydrophobicContact CB-CE2 3.66Å; E36-Y38 WeakPolarHBondContact CB-OH 3.2Å; E36-Y38 WeakPolarHBondContact O-CD2 3.35Å; E36-Y38 WeakPolarHBondContact O-CE2 3.42Å; E36-Y38 PolarHBondContact OE2-OH 3.39Å
37D71.1Confident85.2Confident82 Ų8242.9 Ų42.944%0.43924%0.236SC..  trans-79.4117.8174.3172.910000110.7E39 T40D37-E39 WeakPolarHBondContact OD1-CA 3.39Å; D37-E39 WeakPolarHBondContact OD1-CB 3.24Å; D37-E39 PolarHBondContact OD1-N 2.67Å; D37-T40 WeakPolarHBondContact OD2-CG2 3.11Å
38Y68.4Low85.2Confident23 Ų2343.3 Ų43.39%0.0924%0.238CC..  trans-107.23.3176.1-67.8-78.9000113.5Y32 C33 E36 T40 M76Y32-Y38 VanDerWaalsContact C-OH 3.3Å; Y32-Y38 VanDerWaalsContact CA-CZ 3.44Å; Y32-Y38 VanDerWaalsContact CA-OH 3.25Å; Y32-Y38 WeakPolarHBondContact CA-OH 3.41Å; C33-Y38 PolarHBondContact N-OH 3.25Å; C33-Y38 VanDerWaalsContact O-CE2 3.31Å; C33-Y38 WeakPolarHBondContact O-CE2 3.28Å; C33-Y38 PolarHBondContact O-OH 3.08Å; E36-Y38 HydrophobicContact CB-CE2 3.66Å; E36-Y38 WeakPolarHBondContact CB-OH 3.2Å; E36-Y38 WeakPolarHBondContact O-CD2 3.35Å; E36-Y38 WeakPolarHBondContact O-CE2 3.42Å; E36-Y38 PolarHBondContact OE2-OH 3.39Å; Y38-T40 PolarHBondContact O-N 3.34Å; Y38-M76 HydrophobicContact CD1-CG 3.97Å; Y38-M76 HydrophobicContact CE1-CG 3.68Å
39E63.4Low85.2Confident154 Ų15443.3 Ų43.372%0.7224%0.238SC*.SBendtrans-78.8-3177.1-60.9-172167.600111.8D37 T98D37-E39 WeakPolarHBondContact OD1-CA 3.39Å; D37-E39 WeakPolarHBondContact OD1-CB 3.24Å; D37-E39 PolarHBondContact OD1-N 2.67Å; E39-T98 WeakPolarHBondContact CA-OG1 3.17Å; E39-T98 PolarHBondContact O-OG1 2.92Å
40T62.8Low85.2Confident48 Ų4845.1 Ų45.129%0.29425%0.248SC..SBendtrans-109.4150.4-17253.80000114.3D37 Y38 R42D37-T40 WeakPolarHBondContact OD2-CG2 3.11Å; Y38-T40 PolarHBondContact O-N 3.34Å; T40-R42 PolarHBondContact O-N 2.89Å; T40-R42 WeakPolarHBondContact OG1-CD 3.36Å; T40-R42 WeakPolarHBondContact OG1-CG 3.24Å
41L69.8Low85.3Confident120 Ų12046.4 Ų46.463%0.62826%0.259SS*.  trans-70.732.5170.4-74.8171.2000113.5E99L41-E99 HydrophobicContact CD2-CG 3.65Å; L41-E99 VanDerWaalsContact CD2-OE1 3.29Å; L41-E99 WeakPolarHBondContact CD2-OE1 3.47Å
42R84.2Confident85.3Confident114 Ų11450.8 Ų50.843%0.4329%0.285SS..PPolyproline II helixtrans-59.6143.4176.9-77.6178.375.9-1623.2109.7T40 Y75 M76T40-R42 PolarHBondContact O-N 2.89Å; T40-R42 WeakPolarHBondContact OG1-CD 3.36Å; T40-R42 WeakPolarHBondContact OG1-CG 3.24Å; R42-Y75 CarbonylContact O-C 3.4Å; R42-Y75 VanDerWaalsContact O-CA 3.27Å; R42-Y75 WeakPolarHBondContact O-CA 3.37Å; R42-M76 HydrophobicContact CB-CB 4.36Å; R42-M76 WeakPolarHBondContact O-CB 3.4Å; R42-M76 PolarHBondContact O-N 3.2Å
43Q88.8Confident85.7Confident63 Ų6350.4 Ų50.429%0.29429%0.288SS..BIsolated β-bridgetrans-64.4142.7174.2-67.917810.700110.2D45 V62 V73Q43-D45 PolarHBondContact O-N 3.31Å; Q43-V62 PolarHBondContact NE2-O 3.45Å; Q43-V62 PolarHBondContact OE1-O 3.14Å; Q43-V73 HydrophobicContact CB-CG1 3.82Å; Q43-V73 HydrophobicContact CG-CB 4.15Å; Q43-V73 HydrophobicContact CG-CG1 3.86Å
44I92Very high86.1Confident7 Ų750.7 Ų50.74%0.03629%0.289CS..PPolyproline II helixtrans-56.1135.3168.3-160.2170000109F29 V73 P74 L91 W115F29-I44 HydrophobicContact CB-CD1 4.08Å; I44-V73 HydrophobicContact CG2-CG1 4.3Å; I44-P74 HydrophobicContact CB-CB 4.22Å; I44-P74 HydrophobicContact CG2-CB 3.86Å; I44-P74 HydrophobicContact CG2-CG 3.77Å; I44-P74 PolarHBondContact N-O 3.36Å; I44-L91 HydrophobicContact CD1-CD1 3.66Å; I44-W115 HydrophobicContact CG2-CH2 4.11Å; I44-W115 HydrophobicContact CG2-CZ2 3.59Å
45D92.6Very high86.6Confident12 Ų1250.1 Ų50.16%0.06428%0.276CS..PPolyproline II helixtrans-87.5153.2175.15510000111.8R14 F29 G30 Q43 H47 K58 M76R14-D45 IonicContact CZ-OD2 2.73Å; R14-D45 VanDerWaalsContact CZ-OD2 3.28Å; R14-D45 IonicContact NE-OD1 2.86Å; R14-D45 IonicContact NE-OD2 3.02Å; R14-D45 PolarHBondContact NE-OD2 3.12Å; R14-D45 VanDerWaalsContact NE-OD2 3.13Å; R14-D45 IonicContact NH2-OD2 3.82Å; R14-D45 PolarHBondContact NH2-OD2 2.94Å; F29-D45 WeakPolarHBondContact CA-O 3.28Å; G30-D45 WeakPolarHBondContact CA-OD1 3.37Å; G30-D45 PolarHBondContact N-O 2.61Å; G30-D45 VanDerWaalsContact N-O 3.09Å; G30-D45 PolarHBondContact N-OD1 3.38Å; Q43-D45 PolarHBondContact O-N 3.31Å; D45-H47 VanDerWaalsContact CG-CE1 3.48Å; D45-H47 IonicContact OD1-CE1 3.38Å; D45-H47 IonicContact OD2-CE1 3.2Å; D45-H47 PolarHBondContact OD2-CE1 3.47Å; D45-H47 IonicContact OD2-ND1 3.86Å; D45-K58 IonicContact OD2-NZ 3.79Å; D45-M76 HydrophobicContact CB-CE 4.26Å
46V96.4Very high87.5Confident6 Ų646.6 Ų46.64%0.03624%0.235CC..EExtended strand (participates in β ladder)trans-122.9119.3176.3-172.50000108.2Y27 S28 F29 L59 F108 W115Y27-V46 HydrophobicContact CD1-CG1 4.11Å; S28-V46 WeakPolarHBondContact O-CA 3.42Å; F29-V46 HydrophobicContact CD1-CB 4.47Å; F29-V46 HydrophobicContact CD1-CG1 4.18Å; F29-V46 HydrophobicContact CD1-CG2 3.73Å; F29-V46 HydrophobicContact CE1-CB 4.4Å; F29-V46 HydrophobicContact CE1-CG1 3.77Å; F29-V46 HydrophobicContact CE1-CG2 3.78Å; F29-V46 HydrophobicContact CZ-CG1 4.21Å; V46-L59 HydrophobicContact CB-CB 4.26Å; V46-L59 HydrophobicContact CB-CD1 3.99Å; V46-L59 HydrophobicContact CB-CG 4.31Å; V46-L59 HydrophobicContact CG1-CD1 3.85Å; V46-L59 HydrophobicContact CG1-CG 4.37Å; V46-L59 PolarHBondContact O-N 2.67Å; V46-F108 HydrophobicContact CG1-CE1 4.46Å; V46-F108 HydrophobicContact CG1-CZ 4.23Å; V46-F108 HydrophobicContact CG2-CE2 4.35Å; V46-W115 HydrophobicContact CG2-CZ2 3.84Å
47H97.6Very high88.3Confident2 Ų247.9 Ų47.91%0.00925%0.247CC..EExtended strand (participates in β ladder)trans-110.6136174.1-61.595.3000109.6P12 Y27 S28 D45 W56 T57P12-H47 HydrophobicContact CB-CB 4.22Å; P12-H47 HydrophobicContact CG-CB 4.1Å; Y27-H47 CarbonylContact C-O 3.48Å; Y27-H47 WeakPolarHBondContact CA-O 3.38Å; S28-H47 PolarHBondContact N-O 3.29Å; S28-H47 PolarHBondContact O-N 3.19Å; D45-H47 VanDerWaalsContact CG-CE1 3.48Å; D45-H47 IonicContact OD1-CE1 3.38Å; D45-H47 IonicContact OD2-CE1 3.2Å; D45-H47 PolarHBondContact OD2-CE1 3.47Å; D45-H47 IonicContact OD2-ND1 3.86Å; H47-W56 HydrophobicContact CB-CE3 3.86Å; H47-W56 HydrophobicContact CB-CZ3 3.88Å; H47-T57 CarbonylContact C-O 3.59Å; H47-T57 WeakPolarHBondContact CA-O 3.4Å
48I97.9Very high89.5Confident14 Ų1448.2 Ų48.27%0.07224%0.244CC..EExtended strand (participates in β ladder)trans-115.2120.5179.2-50.6179.6000108.4R25 V26 Y27 W56 T57 L59R25-I48 HydrophobicContact CB-CG2 4.12Å; R25-I48 HydrophobicContact CG-CG2 4.35Å; V26-I48 CarbonylContact O-C 3.59Å; V26-I48 WeakPolarHBondContact O-CA 3.48Å; Y27-I48 HydrophobicContact CD1-CD1 4Å; Y27-I48 HydrophobicContact CD1-CG1 3.7Å; Y27-I48 HydrophobicContact CE1-CD1 3.37Å; Y27-I48 HydrophobicContact CE1-CG1 3.61Å; Y27-I48 HydrophobicContact CE1-CG2 4.38Å; Y27-I48 HydrophobicContact CG-CG1 4.49Å; I48-W56 CarbonylContact O-C 3.58Å; I48-W56 WeakPolarHBondContact O-CA 3.17Å; I48-T57 PolarHBondContact N-O 2.87Å; I48-T57 PolarHBondContact O-N 2.88Å; I48-L59 HydrophobicContact CD1-CD1 4.02Å; I48-L59 HydrophobicContact CD1-CD2 3.64Å; I48-L59 HydrophobicContact CD1-CG 3.85Å; I48-L59 HydrophobicContact CG1-CD2 4.42Å; I48-L59 HydrophobicContact CG1-CG 4.21Å
49F98.4Very high90.7Very high0 Ų048.5 Ų48.50%025%0.248CC..EExtended strand (participates in β ladder)trans-94.4132.3166.6-179.9-112.6000109.6R25 V26 A51 L54 R55 W56 V304 L329 I331R25-F49 CarbonylContact C-O 3.51Å; R25-F49 WeakPolarHBondContact CA-O 3.26Å; V26-F49 HydrophobicContact CB-CB 4.17Å; V26-F49 HydrophobicContact CG2-CD1 4.47Å; V26-F49 PolarHBondContact N-O 3.4Å; V26-F49 PolarHBondContact O-N 2.68Å; F49-A51 HydrophobicContact CD1-CB 4.41Å; F49-A51 HydrophobicContact CE1-CB 4.03Å; F49-L54 HydrophobicContact CE1-CD2 4.39Å; F49-L54 VanDerWaalsContact CE2-C 3.44Å; F49-L54 HydrophobicContact CE2-CB 4.38Å; F49-L54 HydrophobicContact CZ-CB 4.26Å; F49-L54 HydrophobicContact CZ-CD2 3.7Å; F49-R55 WeakPolarHBondContact CA-O 3.17Å; F49-W56 HydrophobicContact CB-CD2 3.76Å; F49-W56 HydrophobicContact CB-CE3 3.61Å; F49-W56 HydrophobicContact CB-CH2 3.6Å; F49-W56 HydrophobicContact CB-CZ2 3.76Å; F49-W56 HydrophobicContact CB-CZ3 3.53Å; F49-W56 AromaticContact CD2-CD1 3.94Å; F49-W56 AromaticContact CD2-CD2 3.95Å; F49-W56 HydrophobicContact CD2-CD2 3.95Å; F49-W56 AromaticContact CD2-CE2 3.7Å; F49-W56 HydrophobicContact CD2-CG 4.11Å; F49-W56 HydrophobicContact CD2-CZ2 4.22Å; F49-W56 AromaticContact CD2-NE1 3.68Å; F49-W56 HydrophobicContact CG-CD2 4.31Å; F49-W56 HydrophobicContact CG-CH2 4.45Å; F49-W56 HydrophobicContact CG-CZ2 4.15Å; F49-V304 HydrophobicContact CD1-CG1 3.93Å; F49-V304 HydrophobicContact CD1-CG2 4.31Å; F49-V304 HydrophobicContact CE1-CG1 3.91Å; F49-V304 HydrophobicContact CE1-CG2 3.99Å; F49-L329 HydrophobicContact CD1-CD1 4.17Å; F49-L329 HydrophobicContact CD2-CD1 3.62Å; F49-L329 HydrophobicContact CE1-CD1 3.95Å; F49-L329 HydrophobicContact CE2-CD1 3.38Å; F49-L329 HydrophobicContact CE2-CD2 4.23Å; F49-L329 HydrophobicContact CE2-CG 4.47Å; F49-L329 HydrophobicContact CG-CD1 4Å; F49-L329 HydrophobicContact CZ-CD1 3.55Å; F49-L329 HydrophobicContact CZ-CD2 3.91Å; F49-L329 HydrophobicContact CZ-CG 4.42Å; F49-I331 HydrophobicContact CE1-CD1 4.43Å; F49-I331 HydrophobicContact CZ-CD1 4.28Å
50N97.5Very high91.9Very high38 Ų3846.3 Ų46.320%0.20325%0.246CC..EExtended strand (participates in β ladder)trans-100.1114.8169.7-178.9-34.2000109.1H24 V52 S53 L54 R55H24-N50 PolarHBondContact CD2-OD1 3.22Å; N50-V52 PolarHBondContact O-N 2.75Å; N50-V52 WeakPolarHBondContact OD1-CA 3.45Å; N50-V52 VanDerWaalsContact OD1-CB 3.31Å; N50-V52 WeakPolarHBondContact OD1-CB 3.45Å; N50-V52 PolarHBondContact OD1-N 3Å; N50-S53 WeakPolarHBondContact CB-OG 3.31Å; N50-S53 PolarHBondContact OD1-N 3.43Å; N50-L54 VanDerWaalsContact O-CA 3.23Å; N50-L54 WeakPolarHBondContact O-CA 3.44Å; N50-L54 PolarHBondContact O-N 3.43Å; N50-R55 PolarHBondContact N-O 3.3Å; N50-R55 PolarHBondContact O-N 2.95Å
51A96.8Very high93Very high28 Ų2849 Ų4923%0.23127%0.265CS..THydrogen-bonded Turntrans-73.3-11.3-176.800000114.2H24 F49 L54 V299H24-A51 VanDerWaalsContact O-CB 3.23Å; H24-A51 WeakPolarHBondContact O-CB 3.49Å; H24-A51 PolarHBondContact O-N 3.13Å; F49-A51 HydrophobicContact CD1-CB 4.41Å; F49-A51 HydrophobicContact CE1-CB 4.03Å; A51-L54 WeakPolarHBondContact O-CD2 3.44Å; A51-V299 HydrophobicContact CB-CB 4.46Å; A51-V299 HydrophobicContact CB-CG1 3.76Å
52V94.9Very high93.6Very high91 Ų9146.3 Ų46.355%0.55225%0.253SS*.THydrogen-bonded Turntrans-83.8-51.4173.9-176.90000110.1H24 N50 W362H24-V52 HydrophobicContact CB-CG2 4.03Å; N50-V52 PolarHBondContact O-N 2.75Å; N50-V52 WeakPolarHBondContact OD1-CA 3.45Å; N50-V52 VanDerWaalsContact OD1-CB 3.31Å; N50-V52 WeakPolarHBondContact OD1-CB 3.45Å; N50-V52 PolarHBondContact OD1-N 3Å; V52-W362 HydrophobicContact CG1-CH2 4.35Å; V52-W362 WeakPolarHBondContact O-CH2 3.5Å
53S95.6Very high93.2Very high31 Ų3150.2 Ų50.222%0.21727%0.273CS..THydrogen-bonded Turntrans-84.8-11.9179.964.10000114.1N50 R55N50-S53 WeakPolarHBondContact CB-OG 3.31Å; N50-S53 PolarHBondContact OD1-N 3.43Å; S53-R55 VanDerWaalsContact C-N 3.26Å; S53-R55 PolarHBondContact O-N 2.9Å; S53-R55 PolarHBondContact O-NH1 3.15Å
54L97Very high92.1Very high13 Ų1352.2 Ų52.27%0.06829%0.294CS..THydrogen-bonded Turntrans56.738.5-174.8-54.4176.5000112.7V6 L8 F49 N50 A51 I331 A366 M367V6-L54 HydrophobicContact CG1-CD1 4.19Å; V6-L54 HydrophobicContact CG2-CD1 4.07Å; L8-L54 HydrophobicContact CD1-CB 3.83Å; F49-L54 HydrophobicContact CE1-CD2 4.39Å; F49-L54 VanDerWaalsContact CE2-C 3.44Å; F49-L54 HydrophobicContact CE2-CB 4.38Å; F49-L54 HydrophobicContact CZ-CB 4.26Å; F49-L54 HydrophobicContact CZ-CD2 3.7Å; N50-L54 VanDerWaalsContact O-CA 3.23Å; N50-L54 WeakPolarHBondContact O-CA 3.44Å; N50-L54 PolarHBondContact O-N 3.43Å; A51-L54 WeakPolarHBondContact O-CD2 3.44Å; L54-I331 HydrophobicContact CD2-CD1 3.48Å; L54-I331 VanDerWaalsContact CD2-CD1 3.48Å; L54-A366 HydrophobicContact CB-CB 4.49Å; L54-A366 HydrophobicContact CD1-CB 4.17Å; L54-A366 HydrophobicContact CG-CB 4.45Å; L54-M367 HydrophobicContact CD1-CB 4.36Å; L54-M367 HydrophobicContact CD1-CG 3.73Å
55R96Very high90.3Very high60 Ų6056.4 Ų56.423%0.22633%0.33CS..EExtended strand (participates in β ladder)trans-123.4144.1-178.6-65.3-61.6173.4-87.6-5.4112.6F49 N50 S53 N365 A366 T369F49-R55 WeakPolarHBondContact CA-O 3.17Å; N50-R55 PolarHBondContact N-O 3.3Å; N50-R55 PolarHBondContact O-N 2.95Å; S53-R55 VanDerWaalsContact C-N 3.26Å; S53-R55 PolarHBondContact O-N 2.9Å; S53-R55 PolarHBondContact O-NH1 3.15Å; R55-N365 PolarHBondContact NH2-O 2.71Å; R55-A366 PolarHBondContact NH1-O 3.42Å; R55-T369 PolarHBondContact NH1-O 2.8Å; R55-T369 PolarHBondContact NH2-O 3.09Å
56W97.4Very high88.5Confident15 Ų1560.8 Ų60.86%0.05735%0.352CS..EExtended strand (participates in β ladder)trans-90.5149.5170.3-71.6100.8000111.6P12 H47 I48 F49 F306 L329 I373P12-W56 VanDerWaalsContact CD-CE2 3.4Å; P12-W56 HydrophobicContact CG-CD2 4.03Å; P12-W56 HydrophobicContact CG-CE3 3.93Å; P12-W56 HydrophobicContact CG-CH2 3.96Å; P12-W56 HydrophobicContact CG-CZ2 4.04Å; P12-W56 HydrophobicContact CG-CZ3 3.9Å; H47-W56 HydrophobicContact CB-CE3 3.86Å; H47-W56 HydrophobicContact CB-CZ3 3.88Å; I48-W56 CarbonylContact O-C 3.58Å; I48-W56 WeakPolarHBondContact O-CA 3.17Å; F49-W56 HydrophobicContact CB-CD2 3.76Å; F49-W56 HydrophobicContact CB-CE3 3.61Å; F49-W56 HydrophobicContact CB-CH2 3.6Å; F49-W56 HydrophobicContact CB-CZ2 3.76Å; F49-W56 HydrophobicContact CB-CZ3 3.53Å; F49-W56 AromaticContact CD2-CD1 3.94Å; F49-W56 AromaticContact CD2-CD2 3.95Å; F49-W56 HydrophobicContact CD2-CD2 3.95Å; F49-W56 AromaticContact CD2-CE2 3.7Å; F49-W56 HydrophobicContact CD2-CG 4.11Å; F49-W56 HydrophobicContact CD2-CZ2 4.22Å; F49-W56 AromaticContact CD2-NE1 3.68Å; F49-W56 HydrophobicContact CG-CD2 4.31Å; F49-W56 HydrophobicContact CG-CH2 4.45Å; F49-W56 HydrophobicContact CG-CZ2 4.15Å; W56-F306 HydrophobicContact CH2-CD1 4.15Å; W56-F306 AromaticContact CH2-CD2 3.74Å; W56-F306 HydrophobicContact CH2-CD2 3.74Å; W56-F306 AromaticContact CH2-CE1 3.97Å; W56-F306 HydrophobicContact CH2-CE1 3.97Å; W56-F306 AromaticContact CH2-CE2 3.52Å; W56-F306 HydrophobicContact CH2-CE2 3.52Å; W56-F306 HydrophobicContact CH2-CG 4.05Å; W56-F306 AromaticContact CH2-CZ 3.66Å; W56-F306 HydrophobicContact CH2-CZ 3.66Å; W56-F306 HydrophobicContact CZ2-CB 4.27Å; W56-F306 HydrophobicContact CZ2-CD1 4.04Å; W56-F306 AromaticContact CZ2-CD2 3.7Å; W56-F306 HydrophobicContact CZ2-CD2 3.7Å; W56-F306 HydrophobicContact CZ2-CE1 4.33Å; W56-F306 HydrophobicContact CZ2-CE2 4.01Å; W56-F306 AromaticContact CZ2-CG 3.73Å; W56-F306 HydrophobicContact CZ2-CG 3.73Å; W56-F306 HydrophobicContact CZ2-CZ 4.32Å; W56-F306 HydrophobicContact CZ3-CE2 4.49Å; W56-L329 HydrophobicContact CZ2-CD1 3.75Å; W56-I373 HydrophobicContact CB-CD1 4.23Å; W56-I373 HydrophobicContact CB-CG1 3.54Å
57T96Very high86.3Confident84 Ų8472.6 Ų72.652%0.51540%0.396SS..EExtended strand (participates in β ladder)trans-138.9133.8169.1-60.10000108.4H47 I48H47-T57 CarbonylContact C-O 3.59Å; H47-T57 WeakPolarHBondContact CA-O 3.4Å; I48-T57 PolarHBondContact N-O 2.87Å; I48-T57 PolarHBondContact O-N 2.88Å
58K95.2Very high84.2Confident89 Ų8976.6 Ų76.639%0.38744%0.438SS..EExtended strand (participates in β ladder)trans-91.1128172.2-175.8172.3-175.6158.90109D45 I373D45-K58 IonicContact OD2-NZ 3.79Å; K58-I373 HydrophobicContact CB-CD1 4.41Å
59L93.9Very high82.1Confident30 Ų3082.1 Ų82.116%0.15746%0.464CS..PPolyproline II helixtrans-70.3143.9172.5-68.4-171.3000110.7V46 I48 F108 H113V46-L59 HydrophobicContact CB-CB 4.26Å; V46-L59 HydrophobicContact CB-CD1 3.99Å; V46-L59 HydrophobicContact CB-CG 4.31Å; V46-L59 HydrophobicContact CG1-CD1 3.85Å; V46-L59 HydrophobicContact CG1-CG 4.37Å; V46-L59 PolarHBondContact O-N 2.67Å; I48-L59 HydrophobicContact CD1-CD1 4.02Å; I48-L59 HydrophobicContact CD1-CD2 3.64Å; I48-L59 HydrophobicContact CD1-CG 3.85Å; I48-L59 HydrophobicContact CG1-CD2 4.42Å; I48-L59 HydrophobicContact CG1-CG 4.21Å; L59-F108 HydrophobicContact CD1-CE2 4.4Å; L59-F108 HydrophobicContact CD1-CZ 3.71Å; L59-H113 HydrophobicContact CD1-CB 3.99Å
60P90Very high80Confident107 Ų10785.7 Ų85.770%0.69549%0.493SS*.PPolyproline II helixtrans-65.7149.4176.228.6-34.4000110.8
61P84.4Confident78.6Confident105 Ų10587.8 Ų87.868%0.68251%0.509SS*.PPolyproline II helixtrans-57.6146172.6-22.733.1000111.9K63P61-K63 PolarHBondContact O-N 2.87Å
62V83.9Confident77.9Confident63 Ų6389.5 Ų89.538%0.38252%0.516SS..PPolyproline II helixtrans-77.5123.8176.8-176.10000108.6Q43 S64 V73Q43-V62 PolarHBondContact NE2-O 3.45Å; Q43-V62 PolarHBondContact OE1-O 3.14Å; V62-S64 PolarHBondContact O-N 3.43Å; V62-V73 HydrophobicContact CB-CG2 3.8Å; V62-V73 HydrophobicContact CG1-CG2 4.18Å; V62-V73 HydrophobicContact CG2-CG2 3.84Å
63K76Confident77.6Confident197 Ų19785.9 Ų85.986%0.85749%0.494SS*.  trans-69.8115.3173.6-63.8-177.9-179.2-179.60108.6P61 A65P61-K63 PolarHBondContact O-N 2.87Å; K63-A65 PolarHBondContact O-N 2.84Å
64S64.2Low77.4Confident105 Ų10584.4 Ų84.473%0.73448%0.484SS*.  trans-67.1127.3176.6-175.20000109.8V62V62-S64 PolarHBondContact O-N 3.43Å
65A53.8Low77.1Confident95 Ų9584.9 Ų84.979%0.78549%0.485SS*.  trans-98-15.9-175.500000114.4K63K63-A65 PolarHBondContact O-N 2.84Å
66I55.1Low76.8Confident104 Ų10482.3 Ų82.353%0.53348%0.476SS..  trans-148.9127.9-169.7-51.2179.2000111.7
67R51.8Low76.7Confident253 Ų25381.6 Ų81.696%0.95547%0.473SS*.THydrogen-bonded Turntrans-72132.5169.3-73.5-176.5-178.2-1710.2109.7
68G52.4Low76.6Confident87 Ų8779.4 Ų79.490%0.89746%0.456SS*.THydrogen-bonded Turntrans100.62.7170.100000116.9
69Q53.7Low76.7Confident130 Ų13075.3 Ų75.361%0.60744%0.439SS*.SBendtrans-95.1149.8166.4-73.1-175.7-17.600110.5
70A55.3Low76.9Confident74 Ų7474.4 Ų74.461%0.61243%0.434SS*.  trans-50.1138.5169.300000109.1V72A70-V72 PolarHBondContact O-N 3.31Å
71P66.8Low77.3Confident83 Ų8369.9 Ų69.954%0.53940%0.404SS..  trans-59.8113.1-175.223.2-31.4000108.2V73 Y106P71-V73 PolarHBondContact O-N 3.01Å; P71-Y106 WeakPolarHBondContact O-CE1 3.46Å
72V82Confident78Confident63 Ų6365.7 Ų65.738%0.38238%0.377SS..SBendtrans-64.1-24.6-177.7-176.60000110.7A70 W115A70-V72 PolarHBondContact O-N 3.31Å; V72-W115 HydrophobicContact CG1-CB 4.3Å; V72-W115 WeakPolarHBondContact CG1-O 3.44Å; V72-W115 VanDerWaalsContact O-CB 3.22Å; V72-W115 WeakPolarHBondContact O-CB 3.36Å
73V89.4Confident78.7Confident15 Ų1563.1 Ų63.19%0.09136%0.361CS..SBendtrans-105.6133.4178.2-172.70000109.1Q43 I44 V62 P71 W115Q43-V73 HydrophobicContact CB-CG1 3.82Å; Q43-V73 HydrophobicContact CG-CB 4.15Å; Q43-V73 HydrophobicContact CG-CG1 3.86Å; I44-V73 HydrophobicContact CG2-CG1 4.3Å; V62-V73 HydrophobicContact CB-CG2 3.8Å; V62-V73 HydrophobicContact CG1-CG2 4.18Å; V62-V73 HydrophobicContact CG2-CG2 3.84Å; P71-V73 PolarHBondContact O-N 3.01Å; V73-W115 HydrophobicContact CB-CG 4.45Å; V73-W115 HydrophobicContact CG1-CG 4.26Å; V73-W115 HydrophobicContact CG2-CB 4.13Å; V73-W115 HydrophobicContact CG2-CG 4.15Å
74P92Very high79.8Confident0 Ų056.2 Ų56.20%033%0.334CS..PPolyproline II helixtrans-59.1143.7173.8-12.420.2000111.3I44 L91 Y106 W115I44-P74 HydrophobicContact CB-CB 4.22Å; I44-P74 HydrophobicContact CG2-CB 3.86Å; I44-P74 HydrophobicContact CG2-CG 3.77Å; I44-P74 PolarHBondContact N-O 3.36Å; P74-L91 HydrophobicContact CG-CD1 4.48Å; P74-Y106 HydrophobicContact CB-CD1 4.34Å; P74-Y106 HydrophobicContact CB-CD2 3.99Å; P74-Y106 HydrophobicContact CB-CE1 4.37Å; P74-Y106 HydrophobicContact CB-CE2 4.01Å; P74-Y106 HydrophobicContact CB-CG 4.16Å; P74-Y106 HydrophobicContact CG-CD1 3.7Å; P74-Y106 HydrophobicContact CG-CD2 3.83Å; P74-Y106 HydrophobicContact CG-CE1 4.17Å; P74-Y106 HydrophobicContact CG-CE2 4.28Å; P74-Y106 HydrophobicContact CG-CG 3.51Å; P74-W115 HydrophobicContact CG-CD2 4.33Å; P74-W115 HydrophobicContact CG-CE3 3.84Å; P74-W115 HydrophobicContact CG-CH2 3.81Å; P74-W115 HydrophobicContact CG-CZ2 4.28Å; P74-W115 HydrophobicContact CG-CZ3 3.56Å
75Y90.3Very high81.4Confident23 Ų2351.7 Ų51.79%0.0930%0.301CS..BIsolated β-bridgetrans-65.1157.5162.264.1-98.1000111.2R42 R77 N96 E99 G100R42-Y75 CarbonylContact O-C 3.4Å; R42-Y75 VanDerWaalsContact O-CA 3.27Å; R42-Y75 WeakPolarHBondContact O-CA 3.37Å; Y75-R77 HydrophobicContact CD2-CB 4.26Å; Y75-R77 HydrophobicContact CE2-CB 4.06Å; Y75-R77 VanDerWaalsContact CE2-CZ 3.41Å; Y75-R77 VanDerWaalsContact O-CZ 3.32Å; Y75-R77 PolarHBondContact O-N 3.36Å; Y75-R77 PolarHBondContact O-NE 3.3Å; Y75-R77 PolarHBondContact O-NH2 2.99Å; Y75-R77 PolarHBondContact OH-NH1 2.87Å; Y75-N96 HydrophobicContact CD2-CB 4.35Å; Y75-N96 VanDerWaalsContact CD2-ND2 3.29Å; Y75-N96 WeakPolarHBondContact CD2-ND2 3.46Å; Y75-N96 HydrophobicContact CE2-CB 4.09Å; Y75-N96 WeakPolarHBondContact CE2-OD1 3.44Å; Y75-E99 HydrophobicContact CD1-CB 4.37Å; Y75-E99 HydrophobicContact CD1-CG 4.14Å; Y75-E99 HydrophobicContact CD2-CB 4.46Å; Y75-E99 HydrophobicContact CD2-CG 4.42Å; Y75-E99 HydrophobicContact CE1-CB 3.79Å; Y75-E99 HydrophobicContact CE1-CG 4.06Å; Y75-E99 HydrophobicContact CE2-CB 3.86Å; Y75-E99 HydrophobicContact CE2-CG 4.31Å; Y75-E99 HydrophobicContact CG-CG 4.35Å; Y75-E99 VanDerWaalsContact CZ-CB 3.47Å; Y75-G100 PolarHBondContact OH-O 3.48Å
76M90.4Very high83.4Confident6 Ų652.4 Ų52.43%0.0329%0.292CS..SBendtrans-61.6124.6178-177.663.38100109.8Y38 R42 D45 N96Y38-M76 HydrophobicContact CD1-CG 3.97Å; Y38-M76 HydrophobicContact CE1-CG 3.68Å; R42-M76 HydrophobicContact CB-CB 4.36Å; R42-M76 WeakPolarHBondContact O-CB 3.4Å; R42-M76 PolarHBondContact O-N 3.2Å; D45-M76 HydrophobicContact CB-CE 4.26Å; M76-N96 WeakPolarHBondContact O-CB 3.46Å
77R93.5Very high85.3Confident0 Ų051.4 Ų51.40%029%0.287CS..  trans-152.9167.8-173.477.4-169.168-119.1-5.5110.9G31 Y75 H80 G93 R95G31-R77 WeakPolarHBondContact CA-O 3.4Å; G31-R77 PolarHBondContact N-O 2.86Å; Y75-R77 HydrophobicContact CD2-CB 4.26Å; Y75-R77 HydrophobicContact CE2-CB 4.06Å; Y75-R77 VanDerWaalsContact CE2-CZ 3.41Å; Y75-R77 VanDerWaalsContact O-CZ 3.32Å; Y75-R77 PolarHBondContact O-N 3.36Å; Y75-R77 PolarHBondContact O-NE 3.3Å; Y75-R77 PolarHBondContact O-NH2 2.99Å; Y75-R77 PolarHBondContact OH-NH1 2.87Å; R77-H80 HydrophobicContact CG-CB 4.34Å; R77-H80 WeakPolarHBondContact CG-ND1 3.46Å; R77-H80 PolarHBondContact O-CE1 3.02Å; R77-G93 WeakPolarHBondContact CD-O 3.09Å; R77-R95 VanDerWaalsContact CA-O 3.31Å; R77-R95 WeakPolarHBondContact CA-O 3.34Å; R77-R95 VanDerWaalsContact CB-O 3.32Å; R77-R95 WeakPolarHBondContact CB-O 3.39Å
78Y95.4Very high87.5Confident39 Ų3941 Ų4115%0.15325%0.252CS..EExtended strand (participates in β ladder)trans-131.6161.7174.456.6-97.6000111.4Y32 H80 G94 R95 D97Y32-Y78 HydrophobicContact CD1-CD1 4.44Å; Y32-Y78 HydrophobicContact CD1-CG 4.25Å; Y78-H80 PolarHBondContact O-N 3.5Å; Y78-G94 CarbonylContact O-C 3.34Å; Y78-G94 WeakPolarHBondContact O-CA 3.23Å; Y78-R95 WeakPolarHBondContact CD1-O 2.88Å; Y78-R95 HydrophobicContact CD2-CG 4.21Å; Y78-R95 HydrophobicContact CE2-CG 3.63Å; Y78-R95 PolarHBondContact N-O 3.21Å; Y78-R95 PolarHBondContact O-N 2.85Å; Y78-D97 PolarHBondContact OH-OD1 2.74Å
79G96.9Very high89.7Confident3 Ų336.8 Ų36.83%0.03121%0.209CC..EExtended strand (participates in β ladder)trans73.312177.300000114.4N16 D129 G130N16-G79 WeakPolarHBondContact ND2-CA 3.27Å; N16-G79 PolarHBondContact ND2-N 3.14Å; N16-G79 VanDerWaalsContact ND2-N 3.11Å; N16-G79 PolarHBondContact O-N 3.48Å; G79-D129 CarbonylContact O-C 3.44Å; G79-D129 WeakPolarHBondContact O-CA 3.44Å; G79-D129 WeakPolarHBondContact O-CB 3.46Å; G79-G130 PolarHBondContact O-N 2.86Å
80H98.3Very high91.9Very high11 Ų1130.8 Ų30.85%0.05118%0.181CC..EExtended strand (participates in β ladder)trans-74.3165.8165.554.7-74.9000110.7F29 R77 Y78 L91 W92 G93 G94F29-H80 PolarHBondContact O-CE1 3.31Å; F29-H80 PolarHBondContact O-NE2 3.3Å; R77-H80 HydrophobicContact CG-CB 4.34Å; R77-H80 WeakPolarHBondContact CG-ND1 3.46Å; R77-H80 PolarHBondContact O-CE1 3.02Å; Y78-H80 PolarHBondContact O-N 3.5Å; H80-L91 HydrophobicContact CB-CD2 4.23Å; H80-L91 HydrophobicContact CB-CG 4.42Å; H80-W92 WeakPolarHBondContact CA-O 3.49Å; H80-W92 WeakPolarHBondContact CB-O 3.02Å; H80-G93 WeakPolarHBondContact CB-O 3.17Å; H80-G94 VanDerWaalsContact N-CA 3.31Å
81S98.5Very high94Very high12 Ų1227.3 Ų27.38%0.08415%0.152CC..EExtended strand (participates in β ladder)trans-114.1152.1168.965.60000110.3L91 W92 H131 A133S81-L91 WeakPolarHBondContact O-CA 3.24Å; S81-W92 PolarHBondContact N-O 3.13Å; S81-W92 PolarHBondContact O-N 2.83Å; S81-H131 WeakPolarHBondContact CB-NE2 3.24Å; S81-H131 PolarHBondContact OG-CD2 3.41Å; S81-H131 PolarHBondContact OG-NE2 3.31Å; S81-A133 VanDerWaalsContact OG-CB 3.27Å; S81-A133 WeakPolarHBondContact OG-CB 3.32Å
82T98.6Very high95.5Very high16 Ų1623.3 Ų23.310%0.09813%0.126CC..EExtended strand (participates in β ladder)trans-128.3143.916952.90000110.7A18 A19 F29 V89 L90 L91A18-T82 HydrophobicContact CB-CG2 3.88Å; A18-T82 VanDerWaalsContact CB-OG1 3.3Å; A18-T82 WeakPolarHBondContact CB-OG1 3.2Å; A19-T82 PolarHBondContact N-OG1 2.86Å; F29-T82 HydrophobicContact CB-CG2 4.39Å; F29-T82 HydrophobicContact CD2-CG2 4.02Å; F29-T82 HydrophobicContact CG-CG2 4.3Å; T82-V89 HydrophobicContact CG2-CG1 4.08Å; T82-L90 CarbonylContact C-O 3.56Å; T82-L90 WeakPolarHBondContact CA-O 3.32Å; T82-L91 HydrophobicContact CG2-CB 3.92Å; T82-L91 HydrophobicContact CG2-CD1 3.96Å; T82-L91 HydrophobicContact CG2-CG 3.93Å
83V98.6Very high96.2Very high9 Ų920.3 Ų20.36%0.05511%0.108CC..EExtended strand (participates in β ladder)trans-135.3148.5172.4-61.70000110.1I85 V89 L90 A133 V135 M140V83-I85 HydrophobicContact CG2-CD1 4.47Å; V83-V89 CarbonylContact O-C 3.57Å; V83-V89 WeakPolarHBondContact O-CA 3.42Å; V83-L90 HydrophobicContact CG2-CB 3.96Å; V83-L90 PolarHBondContact N-O 2.8Å; V83-L90 PolarHBondContact O-N 3.37Å; V83-A133 HydrophobicContact CG1-CB 3.75Å; V83-V135 HydrophobicContact CB-CG2 3.47Å; V83-V135 VanDerWaalsContact CB-CG2 3.47Å; V83-V135 HydrophobicContact CG1-CG2 3.81Å; V83-V135 HydrophobicContact CG2-CG2 3.73Å; V83-M140 HydrophobicContact CG1-CE 4.38Å; V83-M140 HydrophobicContact CG2-CB 4.22Å; V83-M140 HydrophobicContact CG2-CE 4.02Å; V83-M140 HydrophobicContact CG2-CG 3.81Å; V83-M140 HydrophobicContact CG2-SD 3.62Å
84L98.4Very high96.6Very high53 Ų5319.6 Ų19.628%0.27710%0.104SC..EExtended strand (participates in β ladder)trans-98.3125.7173.1-179.471.3000109.1V20 A21 V22 V89 V110V20-L84 HydrophobicContact CB-CB 4.31Å; V20-L84 HydrophobicContact CG1-CB 4.47Å; A21-L84 WeakPolarHBondContact O-CD2 3.45Å; V22-L84 HydrophobicContact CB-CD2 4.47Å; V22-L84 HydrophobicContact CG2-CD1 3.97Å; V22-L84 HydrophobicContact CG2-CD2 3.84Å; L84-V89 HydrophobicContact CD1-CG2 4.04Å; L84-V110 HydrophobicContact CD1-CG1 4.41Å
85I98.1Very high96.7Very high10 Ų1021.9 Ų21.95%0.05111%0.112CC..EExtended strand (participates in β ladder)trans-129.5123.3168.9-64176.2000107V83 D87 T88 L90 V135 M140 T162V83-I85 HydrophobicContact CG2-CD1 4.47Å; I85-D87 PolarHBondContact O-N 2.97Å; I85-T88 PolarHBondContact N-O 2.97Å; I85-T88 PolarHBondContact O-N 3.33Å; I85-T88 VanDerWaalsContact O-O 3.12Å; I85-L90 HydrophobicContact CD1-CD1 4.12Å; I85-V135 HydrophobicContact CD1-CG1 4.02Å; I85-V135 HydrophobicContact CD1-CG2 3.98Å; I85-V135 HydrophobicContact CG1-CG1 3.78Å; I85-V135 HydrophobicContact CG1-CG2 3.88Å; I85-M140 HydrophobicContact CD1-CB 4.15Å; I85-T162 HydrophobicContact CD1-CG2 3.55Å
86D95.3Very high96.7Very high110 Ų11020.9 Ų20.959%0.58811%0.109SC*.THydrogen-bonded Turntrans52.4-121.2-169.2-55.7-32.7000110.1K138D86-K138 IonicContact OD2-NZ 3.46Å
87D96.1Very high96.3Very high82 Ų8226 Ų2644%0.43914%0.136SC..THydrogen-bonded Turntrans-103.316.2177.1-69.8-34.5000113.2I85 V110 N111I85-D87 PolarHBondContact O-N 2.97Å; D87-V110 HydrophobicContact CB-CG2 4Å; D87-V110 VanDerWaalsContact O-CG2 3.26Å; D87-V110 WeakPolarHBondContact O-CG2 3.43Å; D87-V110 PolarHBondContact O-N 3.01Å; D87-V110 VanDerWaalsContact O-N 3.09Å; D87-N111 WeakPolarHBondContact CB-ND2 3.26Å; D87-N111 PolarHBondContact OD2-ND2 2.73Å
88T98.3Very high95.9Very high34 Ų3429.5 Ų29.521%0.20916%0.158CC..EExtended strand (participates in β ladder)trans-118.1124.4-176.1-59.50000111.1I85 L90 A107 F116I85-T88 PolarHBondContact N-O 2.97Å; I85-T88 PolarHBondContact O-N 3.33Å; I85-T88 VanDerWaalsContact O-O 3.12Å; T88-L90 HydrophobicContact CG2-CD2 3.94Å; T88-A107 HydrophobicContact CG2-CB 3.71Å; T88-F116 HydrophobicContact CG2-CE1 4.27Å; T88-F116 HydrophobicContact CG2-CZ 3.88Å
89V98.8Very high95.3Very high0 Ų032.3 Ų32.30%017%0.172CC..EExtended strand (participates in β ladder)trans-84.9119.3169.1-173.30000108.7V20 F29 T82 V83 L84 A107 F108 V110V20-V89 HydrophobicContact CG1-CG1 4.42Å; V20-V89 HydrophobicContact CG2-CB 4.39Å; V20-V89 HydrophobicContact CG2-CG1 3.89Å; V20-V89 HydrophobicContact CG2-CG2 3.58Å; F29-V89 HydrophobicContact CE2-CB 4.43Å; F29-V89 HydrophobicContact CE2-CG1 3.81Å; F29-V89 HydrophobicContact CE2-CG2 4.35Å; F29-V89 HydrophobicContact CZ-CB 4.14Å; F29-V89 HydrophobicContact CZ-CG1 3.96Å; F29-V89 HydrophobicContact CZ-CG2 4.08Å; T82-V89 HydrophobicContact CG2-CG1 4.08Å; V83-V89 CarbonylContact O-C 3.57Å; V83-V89 WeakPolarHBondContact O-CA 3.42Å; L84-V89 HydrophobicContact CD1-CG2 4.04Å; V89-A107 CarbonylContact O-C 3.48Å; V89-A107 VanDerWaalsContact O-CA 3.3Å; V89-A107 WeakPolarHBondContact O-CA 3.48Å; V89-F108 HydrophobicContact CB-CB 4.28Å; V89-F108 PolarHBondContact N-O 3.19Å; V89-F108 PolarHBondContact O-N 3.5Å; V89-V110 HydrophobicContact CG2-CG1 3.65Å
90L98.8Very high95Very high3 Ų332.6 Ų32.62%0.01618%0.175CC..EExtended strand (participates in β ladder)trans-91.4135.1170.8-59.4-176.6000109.5T82 V83 I85 T88 L105 Y106 A107 M140 L160 T162T82-L90 CarbonylContact C-O 3.56Å; T82-L90 WeakPolarHBondContact CA-O 3.32Å; V83-L90 HydrophobicContact CG2-CB 3.96Å; V83-L90 PolarHBondContact N-O 2.8Å; V83-L90 PolarHBondContact O-N 3.37Å; I85-L90 HydrophobicContact CD1-CD1 4.12Å; T88-L90 HydrophobicContact CG2-CD2 3.94Å; L90-L105 HydrophobicContact CB-CD1 4.18Å; L90-L105 HydrophobicContact CD2-CD1 4.49Å; L90-Y106 CarbonylContact C-O 3.6Å; L90-Y106 WeakPolarHBondContact CA-O 3.23Å; L90-A107 HydrophobicContact CD2-CB 3.93Å; L90-M140 HydrophobicContact CB-SD 4.29Å; L90-M140 HydrophobicContact CD1-SD 4.28Å; L90-L160 HydrophobicContact CD1-CD2 4.14Å; L90-T162 HydrophobicContact CD1-CG2 3.58Å
91L98.7Very high94.8Very high1 Ų132.7 Ų32.71%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-120.4127.6176.9-175.9155.5000109.4F29 I44 P74 H80 S81 T82 Y106 W115F29-L91 HydrophobicContact CB-CD1 4.29Å; I44-L91 HydrophobicContact CD1-CD1 3.66Å; P74-L91 HydrophobicContact CG-CD1 4.48Å; H80-L91 HydrophobicContact CB-CD2 4.23Å; H80-L91 HydrophobicContact CB-CG 4.42Å; S81-L91 WeakPolarHBondContact O-CA 3.24Å; T82-L91 HydrophobicContact CG2-CB 3.92Å; T82-L91 HydrophobicContact CG2-CD1 3.96Å; T82-L91 HydrophobicContact CG2-CG 3.93Å; L91-Y106 HydrophobicContact CD2-CD2 4.31Å; L91-Y106 PolarHBondContact N-O 3.39Å; L91-Y106 PolarHBondContact O-N 3.44Å; L91-W115 HydrophobicContact CB-CZ3 4.42Å; L91-W115 HydrophobicContact CD1-CH2 4.01Å; L91-W115 HydrophobicContact CD1-CZ3 4.43Å
92W98.5Very high94.6Very high0 Ų032.5 Ų32.50%018%0.176CC..EExtended strand (participates in β ladder)trans-131.1141179.7-175.3-98.1000112.1H80 S81 N103 L105 V124 P125 H131 M140 W167H80-W92 WeakPolarHBondContact CA-O 3.49Å; H80-W92 WeakPolarHBondContact CB-O 3.02Å; S81-W92 PolarHBondContact N-O 3.13Å; S81-W92 PolarHBondContact O-N 2.83Å; W92-N103 VanDerWaalsContact CH2-C 3.49Å; W92-N103 HydrophobicContact CH2-CB 4.05Å; W92-N103 WeakPolarHBondContact CH2-O 3.35Å; W92-N103 HydrophobicContact CZ2-CB 4.03Å; W92-N103 WeakPolarHBondContact CZ3-O 3.38Å; W92-L105 HydrophobicContact CE3-CB 3.94Å; W92-L105 HydrophobicContact CE3-CD1 4.08Å; W92-L105 HydrophobicContact CZ3-CB 3.94Å; W92-V124 HydrophobicContact CH2-CG1 3.62Å; W92-V124 HydrophobicContact CZ2-CG1 4.43Å; W92-P125 HydrophobicContact CH2-CG 4.29Å; W92-P125 HydrophobicContact CZ2-CB 3.73Å; W92-P125 HydrophobicContact CZ2-CG 3.6Å; W92-P125 WeakPolarHBondContact CZ2-O 3.35Å; W92-H131 AromaticContact CD1-CE1 3.83Å; W92-H131 AromaticContact CD1-NE2 3.49Å; W92-H131 PolarHBondContact O-CE1 3.43Å; W92-H131 VanDerWaalsContact O-CE1 3.23Å; W92-H131 PolarHBondContact O-NE2 3.1Å; W92-M140 HydrophobicContact CB-CE 3.89Å; W92-W167 HydrophobicContact CD2-CH2 4.39Å; W92-W167 AromaticContact CD2-CZ2 3.94Å; W92-W167 HydrophobicContact CD2-CZ2 3.94Å; W92-W167 AromaticContact CE3-CZ2 3.72Å; W92-W167 HydrophobicContact CE3-CZ2 3.72Å; W92-W167 HydrophobicContact CH2-CZ2 4.37Å; W92-W167 AromaticContact CZ3-CZ2 3.94Å; W92-W167 HydrophobicContact CZ3-CZ2 3.94Å; W92-W167 AromaticContact CZ3-NE1 3.87Å
93G97.9Very high94.5Very high0 Ų035.3 Ų35.30%019%0.191CC..EExtended strand (participates in β ladder)trans70.4-147.9171.600000115R77 H80 C102 R128R77-G93 WeakPolarHBondContact CD-O 3.09Å; H80-G93 WeakPolarHBondContact CB-O 3.17Å; G93-C102 VanDerWaalsContact CA-O 3.31Å; G93-C102 WeakPolarHBondContact CA-O 3.48Å; G93-R128 CarbonylContact C-O 3.59Å; G93-R128 WeakPolarHBondContact CA-O 3.49Å
94G97.1Very high94.4Very high0 Ų037.4 Ų37.40%020%0.203CC..EExtended strand (participates in β ladder)trans78.9164.9-173.400000112.4Y78 H80 A101 C102 R128Y78-G94 CarbonylContact O-C 3.34Å; Y78-G94 WeakPolarHBondContact O-CA 3.23Å; H80-G94 VanDerWaalsContact N-CA 3.31Å; G94-A101 CarbonylContact O-C 3.55Å; G94-A101 VanDerWaalsContact O-CA 3.31Å; G94-A101 WeakPolarHBondContact O-CA 3.28Å; G94-C102 PolarHBondContact O-N 2.76Å; G94-R128 PolarHBondContact N-O 3.01Å
95R93.8Very high94.3Very high47 Ų4735 Ų3518%0.17719%0.191CC..EExtended strand (participates in β ladder)trans-136.6162.2-177.568.716483.4102.1-15.2112.7R77 Y78 G100 A101 D129R77-R95 VanDerWaalsContact CA-O 3.31Å; R77-R95 WeakPolarHBondContact CA-O 3.34Å; R77-R95 VanDerWaalsContact CB-O 3.32Å; R77-R95 WeakPolarHBondContact CB-O 3.39Å; Y78-R95 WeakPolarHBondContact CD1-O 2.88Å; Y78-R95 HydrophobicContact CD2-CG 4.21Å; Y78-R95 HydrophobicContact CE2-CG 3.63Å; Y78-R95 PolarHBondContact N-O 3.21Å; Y78-R95 PolarHBondContact O-N 2.85Å; R95-G100 VanDerWaalsContact CA-O 3.26Å; R95-G100 WeakPolarHBondContact CA-O 3.23Å; R95-A101 HydrophobicContact CB-CB 4.16Å; R95-D129 HydrophobicContact CG-CB 4.3Å; R95-D129 IonicContact CZ-OD1 2.86Å; R95-D129 IonicContact CZ-OD2 3.45Å; R95-D129 IonicContact NE-OD1 3.15Å; R95-D129 PolarHBondContact NE-OD1 2.79Å; R95-D129 VanDerWaalsContact NE-OD1 3.15Å; R95-D129 IonicContact NE-OD2 3.91Å; R95-D129 VanDerWaalsContact NH1-CG 3.32Å; R95-D129 IonicContact NH1-OD1 3.55Å; R95-D129 IonicContact NH1-OD2 3.02Å; R95-D129 PolarHBondContact NH1-OD2 3.25Å; R95-D129 IonicContact NH2-OD1 2.54Å; R95-D129 PolarHBondContact NH2-OD1 2.96Å; R95-D129 IonicContact NH2-OD2 2.96Å; R95-D129 PolarHBondContact NH2-OD2 3.01Å; R95-D129 VanDerWaalsContact NH2-OD2 3.12Å
96N90.1Very high94.3Very high3 Ų335 Ų352%0.01619%0.19CC..EExtended strand (participates in β ladder)trans-131.6179.1156.170.2-7.2000108.5Y75 M76 T98 E99 G100Y75-N96 HydrophobicContact CD2-CB 4.35Å; Y75-N96 VanDerWaalsContact CD2-ND2 3.29Å; Y75-N96 WeakPolarHBondContact CD2-ND2 3.46Å; Y75-N96 HydrophobicContact CE2-CB 4.09Å; Y75-N96 WeakPolarHBondContact CE2-OD1 3.44Å; M76-N96 WeakPolarHBondContact O-CB 3.46Å; N96-T98 VanDerWaalsContact C-N 3.35Å; N96-E99 WeakPolarHBondContact OD1-CA 3.22Å; N96-E99 VanDerWaalsContact OD1-CB 3.29Å; N96-E99 WeakPolarHBondContact OD1-CB 3.36Å; N96-E99 PolarHBondContact OD1-N 3.41Å; N96-G100 PolarHBondContact N-O 3.05Å; N96-G100 WeakPolarHBondContact O-CA 3.3Å; N96-G100 PolarHBondContact O-N 2.97Å; N96-G100 PolarHBondContact OD1-N 3.41Å
97D83.2Confident94.5Very high113 Ų11329.7 Ų29.760%0.60416%0.162SC*.THydrogen-bonded Turntrans-80.6-19.3-171.7-55.2-18.6000112.2Y78Y78-D97 PolarHBondContact OH-OD1 2.74Å
98T83.6Confident94.6Very high74 Ų7425.9 Ų25.945%0.45414%0.142SC..THydrogen-bonded Turntrans-94-53.4-179.1-54.60000114.2E39 N96E39-T98 WeakPolarHBondContact CA-OG1 3.17Å; E39-T98 PolarHBondContact O-OG1 2.92Å; N96-T98 VanDerWaalsContact C-N 3.35Å
99E83.5Confident94.5Very high97 Ų9726.1 Ų26.145%0.45314%0.141SC..THydrogen-bonded Turntrans-88.9-13.2-176-60.9-68.6139.900111.9L41 Y75 N96L41-E99 HydrophobicContact CD2-CG 3.65Å; L41-E99 VanDerWaalsContact CD2-OE1 3.29Å; L41-E99 WeakPolarHBondContact CD2-OE1 3.47Å; Y75-E99 HydrophobicContact CD1-CB 4.37Å; Y75-E99 HydrophobicContact CD1-CG 4.14Å; Y75-E99 HydrophobicContact CD2-CB 4.46Å; Y75-E99 HydrophobicContact CD2-CG 4.42Å; Y75-E99 HydrophobicContact CE1-CB 3.79Å; Y75-E99 HydrophobicContact CE1-CG 4.06Å; Y75-E99 HydrophobicContact CE2-CB 3.86Å; Y75-E99 HydrophobicContact CE2-CG 4.31Å; Y75-E99 HydrophobicContact CG-CG 4.35Å; Y75-E99 VanDerWaalsContact CZ-CB 3.47Å; N96-E99 WeakPolarHBondContact OD1-CA 3.22Å; N96-E99 VanDerWaalsContact OD1-CB 3.29Å; N96-E99 WeakPolarHBondContact OD1-CB 3.36Å; N96-E99 PolarHBondContact OD1-N 3.41Å
100G90.3Very high94.4Very high9 Ų926.5 Ų26.59%0.09314%0.144CC..EExtended strand (participates in β ladder)trans70.2-158.1-173.200000112.8Y75 R95 N96Y75-G100 PolarHBondContact OH-O 3.48Å; R95-G100 VanDerWaalsContact CA-O 3.26Å; R95-G100 WeakPolarHBondContact CA-O 3.23Å; N96-G100 PolarHBondContact N-O 3.05Å; N96-G100 WeakPolarHBondContact O-CA 3.3Å; N96-G100 PolarHBondContact O-N 2.97Å; N96-G100 PolarHBondContact OD1-N 3.41Å
101A94.6Very high94.3Very high13 Ų1331.6 Ų31.611%0.10717%0.171CC..EExtended strand (participates in β ladder)trans-73.4150-179.500000111.6G94 R95 A127 Q148G94-A101 CarbonylContact O-C 3.55Å; G94-A101 VanDerWaalsContact O-CA 3.31Å; G94-A101 WeakPolarHBondContact O-CA 3.28Å; R95-A101 HydrophobicContact CB-CB 4.16Å; A101-A127 HydrophobicContact CB-CB 3.99Å; A101-A127 WeakPolarHBondContact O-CB 3.42Å; A101-Q148 HydrophobicContact CB-CB 3.92Å
102C95.1Very high94.1Very high9 Ų935.1 Ų35.16%0.06119%0.193CC..  trans-112.6150.8-175.4-167.30000112.4G93 G94 V104 A127 R128G93-C102 VanDerWaalsContact CA-O 3.31Å; G93-C102 WeakPolarHBondContact CA-O 3.48Å; G94-C102 PolarHBondContact O-N 2.76Å; C102-V104 PolarHBondContact SG-N 2.83Å; C102-V104 VanDerWaalsContact SG-N 3.37Å; C102-A127 WeakPolarHBondContact O-CA 3.38Å; C102-R128 PolarHBondContact O-N 2.85Å
103N95.9Very high93.9Very high75 Ų7538 Ų3840%0.40121%0.206SC..  trans-131.723.8169.465-17.6000111.9W92 P125 A127W92-N103 VanDerWaalsContact CH2-C 3.49Å; W92-N103 HydrophobicContact CH2-CB 4.05Å; W92-N103 WeakPolarHBondContact CH2-O 3.35Å; W92-N103 HydrophobicContact CZ2-CB 4.03Å; W92-N103 WeakPolarHBondContact CZ3-O 3.38Å; N103-P125 WeakPolarHBondContact CB-O 3.43Å; N103-A127 HydrophobicContact CB-CB 4.11Å
104V95.9Very high93.8Very high52 Ų5244.6 Ų44.632%0.31524%0.235SC..  trans-93.7128.9174.9179.60000108.5C102 Y106 T117C102-V104 PolarHBondContact SG-N 2.83Å; C102-V104 VanDerWaalsContact SG-N 3.37Å; V104-Y106 HydrophobicContact CB-CD2 4.29Å; V104-Y106 HydrophobicContact CB-CE2 3.7Å; V104-Y106 HydrophobicContact CG1-CD2 4.11Å; V104-Y106 HydrophobicContact CG1-CE1 4.23Å; V104-Y106 HydrophobicContact CG1-CE2 3.67Å; V104-Y106 WeakPolarHBondContact O-CD2 3.48Å; V104-Y106 PolarHBondContact O-N 2.97Å; V104-T117 HydrophobicContact CG1-CG2 3.69Å
105L97.8Very high93.7Very high3 Ų345.5 Ų45.52%0.01624%0.238CC..  trans-78.4119.8171.6-177.868.5000109.3L90 W92 T117 P118 V120 L160 M165L90-L105 HydrophobicContact CB-CD1 4.18Å; L90-L105 HydrophobicContact CD2-CD1 4.49Å; W92-L105 HydrophobicContact CE3-CB 3.94Å; W92-L105 HydrophobicContact CE3-CD1 4.08Å; W92-L105 HydrophobicContact CZ3-CB 3.94Å; L105-T117 WeakPolarHBondContact O-CG2 3.35Å; L105-P118 HydrophobicContact CD2-CB 4.22Å; L105-P118 HydrophobicContact CD2-CG 4.14Å; L105-V120 HydrophobicContact CB-CG1 3.95Å; L105-V120 HydrophobicContact CD2-CG1 3.45Å; L105-V120 VanDerWaalsContact CD2-CG1 3.45Å; L105-V120 HydrophobicContact CG-CG1 4.35Å; L105-L160 HydrophobicContact CD1-CD2 4.23Å; L105-L160 HydrophobicContact CD2-CD2 3.57Å; L105-M165 HydrophobicContact CD2-SD 4.2Å
106Y97.9Very high93.7Very high9 Ų947.1 Ų47.14%0.03525%0.247CC..EExtended strand (participates in β ladder)trans-107.2148.1170.8-68-85.7000110.4P71 P74 L90 L91 V104P71-Y106 WeakPolarHBondContact O-CE1 3.46Å; P74-Y106 HydrophobicContact CB-CD1 4.34Å; P74-Y106 HydrophobicContact CB-CD2 3.99Å; P74-Y106 HydrophobicContact CB-CE1 4.37Å; P74-Y106 HydrophobicContact CB-CE2 4.01Å; P74-Y106 HydrophobicContact CB-CG 4.16Å; P74-Y106 HydrophobicContact CG-CD1 3.7Å; P74-Y106 HydrophobicContact CG-CD2 3.83Å; P74-Y106 HydrophobicContact CG-CE1 4.17Å; P74-Y106 HydrophobicContact CG-CE2 4.28Å; P74-Y106 HydrophobicContact CG-CG 3.51Å; L90-Y106 CarbonylContact C-O 3.6Å; L90-Y106 WeakPolarHBondContact CA-O 3.23Å; L91-Y106 HydrophobicContact CD2-CD2 4.31Å; L91-Y106 PolarHBondContact N-O 3.39Å; L91-Y106 PolarHBondContact O-N 3.44Å; V104-Y106 HydrophobicContact CB-CD2 4.29Å; V104-Y106 HydrophobicContact CB-CE2 3.7Å; V104-Y106 HydrophobicContact CG1-CD2 4.11Å; V104-Y106 HydrophobicContact CG1-CE1 4.23Å; V104-Y106 HydrophobicContact CG1-CE2 3.67Å; V104-Y106 WeakPolarHBondContact O-CD2 3.48Å; V104-Y106 PolarHBondContact O-N 2.97Å
107A97.9Very high93.9Very high0 Ų049.6 Ų49.60%026%0.262CS..EExtended strand (participates in β ladder)trans-128.8138.7177.400000110.3T88 V89 L90 W115 F116 P118T88-A107 HydrophobicContact CG2-CB 3.71Å; V89-A107 CarbonylContact O-C 3.48Å; V89-A107 VanDerWaalsContact O-CA 3.3Å; V89-A107 WeakPolarHBondContact O-CA 3.48Å; L90-A107 HydrophobicContact CD2-CB 3.93Å; A107-W115 CarbonylContact O-C 3.57Å; A107-W115 WeakPolarHBondContact O-CA 3.1Å; A107-F116 HydrophobicContact CB-CD1 4.01Å; A107-F116 HydrophobicContact CB-CD2 3.85Å; A107-F116 HydrophobicContact CB-CE1 3.62Å; A107-F116 HydrophobicContact CB-CE2 3.46Å; A107-F116 VanDerWaalsContact CB-CE2 3.46Å; A107-F116 HydrophobicContact CB-CG 4.11Å; A107-F116 HydrophobicContact CB-CZ 3.34Å; A107-F116 PolarHBondContact N-O 3.05Å; A107-F116 PolarHBondContact O-N 3.18Å; A107-P118 HydrophobicContact CB-CG 3.72Å
108F98.1Very high94.5Very high2 Ų245 Ų451%0.00924%0.238CC..EExtended strand (participates in β ladder)trans-124.5116.6177.5-179-96.4000109.6Y27 F29 V46 L59 V89 V110 H113 W115Y27-F108 HydrophobicContact CD1-CE1 4.01Å; Y27-F108 HydrophobicContact CE1-CE1 4.01Å; F29-F108 HydrophobicContact CE1-CB 4.18Å; F29-F108 AromaticContact CE1-CD1 3.91Å; F29-F108 HydrophobicContact CE1-CD1 3.91Å; F29-F108 HydrophobicContact CE1-CD2 4.45Å; F29-F108 HydrophobicContact CE1-CE1 4.41Å; F29-F108 AromaticContact CE1-CG 3.92Å; F29-F108 HydrophobicContact CE1-CG 3.92Å; F29-F108 AromaticContact CZ-CD1 3.89Å; F29-F108 HydrophobicContact CZ-CD1 3.89Å; F29-F108 HydrophobicContact CZ-CE1 4.4Å; F29-F108 HydrophobicContact CZ-CG 4.3Å; V46-F108 HydrophobicContact CG1-CE1 4.46Å; V46-F108 HydrophobicContact CG1-CZ 4.23Å; V46-F108 HydrophobicContact CG2-CE2 4.35Å; L59-F108 HydrophobicContact CD1-CE2 4.4Å; L59-F108 HydrophobicContact CD1-CZ 3.71Å; V89-F108 HydrophobicContact CB-CB 4.28Å; V89-F108 PolarHBondContact N-O 3.19Å; V89-F108 PolarHBondContact O-N 3.5Å; F108-V110 HydrophobicContact CD1-CG1 4.39Å; F108-H113 HydrophobicContact CE2-CB 4.3Å; F108-H113 VanDerWaalsContact CZ-CA 3.49Å; F108-H113 HydrophobicContact CZ-CB 3.79Å; F108-H113 AromaticContact CZ-CD2 3.93Å; F108-W115 HydrophobicContact CB-CD2 4.1Å; F108-W115 HydrophobicContact CB-CE3 3.85Å; F108-W115 HydrophobicContact CB-CH2 4.02Å; F108-W115 HydrophobicContact CB-CZ2 4.27Å; F108-W115 HydrophobicContact CB-CZ3 3.81Å; F108-W115 AromaticContact CD2-CD1 3.8Å; F108-W115 AromaticContact CD2-CD2 3.72Å; F108-W115 HydrophobicContact CD2-CD2 3.72Å; F108-W115 AromaticContact CD2-CE2 3.49Å; F108-W115 VanDerWaalsContact CD2-CE2 3.49Å; F108-W115 HydrophobicContact CD2-CE3 4.36Å; F108-W115 AromaticContact CD2-CG 3.94Å; F108-W115 HydrophobicContact CD2-CG 3.94Å; F108-W115 AromaticContact CD2-CZ2 3.96Å; F108-W115 HydrophobicContact CD2-CZ2 3.96Å; F108-W115 AromaticContact CD2-NE1 3.54Å; F108-W115 AromaticContact CE2-NE1 3.84Å; F108-W115 HydrophobicContact CG-CD2 4.39Å; F108-W115 HydrophobicContact CG-CZ2 4.35Å
109D97.3Very high95Very high39 Ų3953 Ų5321%0.20926%0.26CS..EExtended strand (participates in β ladder)trans-79.8119.9177.2178.7-61.4000109.7N111 T112 H113 K114 F116D109-N111 VanDerWaalsContact C-N 3.29Å; D109-N111 PolarHBondContact O-N 3.45Å; D109-N111 WeakPolarHBondContact OD1-CA 3.19Å; D109-N111 WeakPolarHBondContact OD1-CB 3.26Å; D109-N111 PolarHBondContact OD1-N 3.4Å; D109-T112 WeakPolarHBondContact CB-OG1 3.4Å; D109-T112 PolarHBondContact OD1-N 2.79Å; D109-T112 PolarHBondContact OD1-OG1 2.92Å; D109-H113 WeakPolarHBondContact O-CA 3.39Å; D109-H113 PolarHBondContact O-N 3.18Å; D109-K114 PolarHBondContact N-O 3.4Å; D109-F116 HydrophobicContact CB-CE1 4.22Å
110V96.9Very high95.7Very high7 Ų750.5 Ų50.54%0.04225%0.251CS..THydrogen-bonded Turntrans-77.8-14.9-173.1-55.20000113.6V22 Y27 L84 D87 V89 F108 H113V22-V110 HydrophobicContact CG1-CG2 4.01Å; V22-V110 HydrophobicContact CG2-CG1 4.07Å; Y27-V110 HydrophobicContact CE2-CB 4.5Å; Y27-V110 PolarHBondContact OH-O 2.84Å; L84-V110 HydrophobicContact CD1-CG1 4.41Å; D87-V110 HydrophobicContact CB-CG2 4Å; D87-V110 VanDerWaalsContact O-CG2 3.26Å; D87-V110 WeakPolarHBondContact O-CG2 3.43Å; D87-V110 PolarHBondContact O-N 3.01Å; D87-V110 VanDerWaalsContact O-N 3.09Å; V89-V110 HydrophobicContact CG2-CG1 3.65Å; F108-V110 HydrophobicContact CD1-CG1 4.39Å; V110-H113 PolarHBondContact O-CD2 2.86Å; V110-H113 PolarHBondContact O-NE2 3.17Å; V110-H113 VanDerWaalsContact O-NE2 3.09Å
111N96Very high96.1Very high111 Ų11152.8 Ų52.859%0.59427%0.266SS*.THydrogen-bonded Turntrans-87.1-38.5-180-67.4-41.9000111.1D87 D109D87-N111 WeakPolarHBondContact CB-ND2 3.26Å; D87-N111 PolarHBondContact OD2-ND2 2.73Å; D109-N111 VanDerWaalsContact C-N 3.29Å; D109-N111 PolarHBondContact O-N 3.45Å; D109-N111 WeakPolarHBondContact OD1-CA 3.19Å; D109-N111 WeakPolarHBondContact OD1-CB 3.26Å; D109-N111 PolarHBondContact OD1-N 3.4Å
112T95Very high96.3Very high75 Ų7554.8 Ų54.846%0.4629%0.288SS..THydrogen-bonded Turntrans-102.8-13.1-177.364.60000113.6D109 K114D109-T112 WeakPolarHBondContact CB-OG1 3.4Å; D109-T112 PolarHBondContact OD1-N 2.79Å; D109-T112 PolarHBondContact OD1-OG1 2.92Å; T112-K114 PolarHBondContact O-N 2.87Å
113H95.2Very high96.4Very high60 Ų6057.7 Ų57.728%0.27831%0.306SS..THydrogen-bonded Turntrans55.536.5-173.9-63.2169.1000113.3Y27 L59 F108 D109 V110Y27-H113 AromaticContact CE1-NE2 3.73Å; Y27-H113 AromaticContact CZ-NE2 3.89Å; Y27-H113 PolarHBondContact OH-NE2 2.82Å; Y27-H113 VanDerWaalsContact OH-NE2 3.13Å; L59-H113 HydrophobicContact CD1-CB 3.99Å; F108-H113 HydrophobicContact CE2-CB 4.3Å; F108-H113 VanDerWaalsContact CZ-CA 3.49Å; F108-H113 HydrophobicContact CZ-CB 3.79Å; F108-H113 AromaticContact CZ-CD2 3.93Å; D109-H113 WeakPolarHBondContact O-CA 3.39Å; D109-H113 PolarHBondContact O-N 3.18Å; V110-H113 PolarHBondContact O-CD2 2.86Å; V110-H113 PolarHBondContact O-NE2 3.17Å; V110-H113 VanDerWaalsContact O-NE2 3.09Å
114K93.8Very high96.5Very high139 Ų13957 Ų5760%0.60430%0.304SS*.EExtended strand (participates in β ladder)trans-109.4139.4179.7-68.3-179.5-178.2177.60111.1D109 T112D109-K114 PolarHBondContact N-O 3.4Å; T112-K114 PolarHBondContact O-N 2.87Å
115W95.6Very high96.6Very high19 Ų1954.6 Ų54.67%0.07229%0.289CS..EExtended strand (participates in β ladder)trans-84.9150.2168.9-69.795000111.2F29 I44 V46 V72 V73 P74 L91 A107 F108F29-W115 AromaticContact CD1-CH2 3.6Å; F29-W115 HydrophobicContact CD1-CH2 3.6Å; F29-W115 AromaticContact CD1-CZ2 3.62Å; F29-W115 HydrophobicContact CD1-CZ2 3.62Å; F29-W115 AromaticContact CE1-CH2 3.82Å; F29-W115 HydrophobicContact CE1-CH2 3.82Å; F29-W115 AromaticContact CE1-CZ2 3.78Å; F29-W115 HydrophobicContact CE1-CZ2 3.78Å; I44-W115 HydrophobicContact CG2-CH2 4.11Å; I44-W115 HydrophobicContact CG2-CZ2 3.59Å; V46-W115 HydrophobicContact CG2-CZ2 3.84Å; V72-W115 HydrophobicContact CG1-CB 4.3Å; V72-W115 WeakPolarHBondContact CG1-O 3.44Å; V72-W115 VanDerWaalsContact O-CB 3.22Å; V72-W115 WeakPolarHBondContact O-CB 3.36Å; V73-W115 HydrophobicContact CB-CG 4.45Å; V73-W115 HydrophobicContact CG1-CG 4.26Å; V73-W115 HydrophobicContact CG2-CB 4.13Å; V73-W115 HydrophobicContact CG2-CG 4.15Å; P74-W115 HydrophobicContact CG-CD2 4.33Å; P74-W115 HydrophobicContact CG-CE3 3.84Å; P74-W115 HydrophobicContact CG-CH2 3.81Å; P74-W115 HydrophobicContact CG-CZ2 4.28Å; P74-W115 HydrophobicContact CG-CZ3 3.56Å; L91-W115 HydrophobicContact CB-CZ3 4.42Å; L91-W115 HydrophobicContact CD1-CH2 4.01Å; L91-W115 HydrophobicContact CD1-CZ3 4.43Å; A107-W115 CarbonylContact O-C 3.57Å; A107-W115 WeakPolarHBondContact O-CA 3.1Å; F108-W115 HydrophobicContact CB-CD2 4.1Å; F108-W115 HydrophobicContact CB-CE3 3.85Å; F108-W115 HydrophobicContact CB-CH2 4.02Å; F108-W115 HydrophobicContact CB-CZ2 4.27Å; F108-W115 HydrophobicContact CB-CZ3 3.81Å; F108-W115 AromaticContact CD2-CD1 3.8Å; F108-W115 AromaticContact CD2-CD2 3.72Å; F108-W115 HydrophobicContact CD2-CD2 3.72Å; F108-W115 AromaticContact CD2-CE2 3.49Å; F108-W115 VanDerWaalsContact CD2-CE2 3.49Å; F108-W115 HydrophobicContact CD2-CE3 4.36Å; F108-W115 AromaticContact CD2-CG 3.94Å; F108-W115 HydrophobicContact CD2-CG 3.94Å; F108-W115 AromaticContact CD2-CZ2 3.96Å; F108-W115 HydrophobicContact CD2-CZ2 3.96Å; F108-W115 AromaticContact CD2-NE1 3.54Å; F108-W115 AromaticContact CE2-NE1 3.84Å; F108-W115 HydrophobicContact CG-CD2 4.39Å; F108-W115 HydrophobicContact CG-CZ2 4.35Å
116F93.9Very high96.5Very high81 Ų8155.2 Ų55.236%0.35530%0.297SS..EExtended strand (participates in β ladder)trans-152.2164.9166.860.9-79.2000110.4T88 A107 D109 P118T88-F116 HydrophobicContact CG2-CE1 4.27Å; T88-F116 HydrophobicContact CG2-CZ 3.88Å; A107-F116 HydrophobicContact CB-CD1 4.01Å; A107-F116 HydrophobicContact CB-CD2 3.85Å; A107-F116 HydrophobicContact CB-CE1 3.62Å; A107-F116 HydrophobicContact CB-CE2 3.46Å; A107-F116 VanDerWaalsContact CB-CE2 3.46Å; A107-F116 HydrophobicContact CB-CG 4.11Å; A107-F116 HydrophobicContact CB-CZ 3.34Å; A107-F116 PolarHBondContact N-O 3.05Å; A107-F116 PolarHBondContact O-N 3.18Å; D109-F116 HydrophobicContact CB-CE1 4.22Å; F116-P118 HydrophobicContact CD2-CG 4Å; F116-P118 HydrophobicContact CE2-CG 3.82Å
117T95.1Very high96.5Very high54 Ų5455.8 Ų55.833%0.33130%0.303SS..  trans-118.498.2-179.3-52.80000108.5V104 L105V104-T117 HydrophobicContact CG1-CG2 3.69Å; L105-T117 WeakPolarHBondContact O-CG2 3.35Å
118P94.9Very high96.5Very high18 Ų1855.8 Ų55.812%0.11730%0.303CS..  trans-59.4139.8175-19.230.4000110.5L105 A107 F116 V120 M165L105-P118 HydrophobicContact CD2-CB 4.22Å; L105-P118 HydrophobicContact CD2-CG 4.14Å; A107-P118 HydrophobicContact CB-CG 3.72Å; F116-P118 HydrophobicContact CD2-CG 4Å; F116-P118 HydrophobicContact CE2-CG 3.82Å; P118-V120 PolarHBondContact O-N 3.4Å; P118-M165 HydrophobicContact CB-CE 4.12Å; P118-M165 HydrophobicContact CB-CG 4.31Å; P118-M165 HydrophobicContact CB-SD 3.92Å; P118-M165 HydrophobicContact CG-CE 4.29Å; P118-M165 HydrophobicContact CG-SD 4.49Å
119R95.1Very high96.5Very high240 Ų24055.7 Ų55.791%0.90630%0.303SS*.  trans-74.9120.7169-68.4-174.2-179.5-138.70.5108.2M165R119-M165 WeakPolarHBondContact O-CB 3.17Å
120V97.6Very high96.6Very high45 Ų4554.1 Ų54.127%0.27330%0.295SS..  trans-105.3154.4177.1-62.20000111.2L105 P118 V124 L160 M165L105-V120 HydrophobicContact CB-CG1 3.95Å; L105-V120 HydrophobicContact CD2-CG1 3.45Å; L105-V120 VanDerWaalsContact CD2-CG1 3.45Å; L105-V120 HydrophobicContact CG-CG1 4.35Å; P118-V120 PolarHBondContact O-N 3.4Å; V120-V124 HydrophobicContact CG2-CG1 4.47Å; V120-V124 HydrophobicContact CG2-CG2 4.08Å; V120-L160 HydrophobicContact CG1-CD1 4.46Å; V120-M165 VanDerWaalsContact CA-O 3.26Å; V120-M165 WeakPolarHBondContact CA-O 3.43Å; V120-M165 HydrophobicContact CG1-CB 4.5Å
121S98.4Very high96.7Very high58 Ų5854.3 Ų54.341%0.40630%0.296SS..EExtended strand (participates in β ladder)trans-135.1177.8179.559.30000111.1M165 T166 W167S121-M165 PolarHBondContact N-O 2.97Å; S121-T166 PolarHBondContact OG-OG1 2.67Å; S121-W167 PolarHBondContact O-N 3.22Å
122G98.3Very high96.8Very high55 Ų5549.5 Ų49.557%0.56727%0.271SS*.EExtended strand (participates in β ladder)trans84.5-150.8177.800000113.2V124 W167G122-V124 PolarHBondContact O-N 3.3Å; G122-V124 VanDerWaalsContact O-N 3.08Å; G122-W167 WeakPolarHBondContact CA-O 3.27Å
123T98.1Very high97Very high70 Ų7046.9 Ų46.943%0.42926%0.257SS..SBendtrans-84.980.3-179.154.50000109.5H158 W167 T168 L169T123-H158 PolarHBondContact O-CD2 2.88Å; T123-W167 PolarHBondContact N-O 2.75Å; T123-W167 VanDerWaalsContact O-CB 3.3Å; T123-W167 WeakPolarHBondContact O-CB 3.4Å; T123-W167 PolarHBondContact OG1-O 2.96Å; T123-T168 VanDerWaalsContact OG1-C 3.3Å; T123-T168 VanDerWaalsContact OG1-CA 3.26Å; T123-T168 WeakPolarHBondContact OG1-CA 3.49Å; T123-L169 PolarHBondContact OG1-N 2.88Å
124V98Very high97.1Very high60 Ų6044.5 Ų44.536%0.36425%0.247SC..PPolyproline II helixtrans-65.6126.6-178.5-175.90000109.5W92 V120 G122W92-V124 HydrophobicContact CH2-CG1 3.62Å; W92-V124 HydrophobicContact CZ2-CG1 4.43Å; V120-V124 HydrophobicContact CG2-CG1 4.47Å; V120-V124 HydrophobicContact CG2-CG2 4.08Å; G122-V124 PolarHBondContact O-N 3.3Å; G122-V124 VanDerWaalsContact O-N 3.08Å
125P97.8Very high97.3Very high1 Ų139.8 Ų39.81%0.00623%0.23CC..PPolyproline II helixtrans-61.7146179.5-9.816.6000111.9W92 N103 I142 H158 W167W92-P125 HydrophobicContact CH2-CG 4.29Å; W92-P125 HydrophobicContact CZ2-CB 3.73Å; W92-P125 HydrophobicContact CZ2-CG 3.6Å; W92-P125 WeakPolarHBondContact CZ2-O 3.35Å; N103-P125 WeakPolarHBondContact CB-O 3.43Å; P125-I142 HydrophobicContact CB-CD1 3.69Å; P125-I142 HydrophobicContact CG-CD1 3.42Å; P125-I142 VanDerWaalsContact CG-CD1 3.42Å; P125-I142 HydrophobicContact CG-CG1 4.44Å; P125-H158 HydrophobicContact CB-CB 4.5Å; P125-H158 HydrophobicContact CG-CB 3.76Å; P125-W167 HydrophobicContact CG-CD2 4Å; P125-W167 HydrophobicContact CG-CE3 3.83Å; P125-W167 HydrophobicContact CG-CH2 4.41Å; P125-W167 HydrophobicContact CG-CZ3 4.05Å
126G96.6Very high97.5Very high17 Ų1741.9 Ų41.918%0.17524%0.242CC..PPolyproline II helixtrans-64.4161173.100000113.4R128 E147G126-R128 PolarHBondContact O-N 3.3Å; G126-R128 PolarHBondContact O-NE 2.97Å; G126-E147 WeakPolarHBondContact CA-OE1 3.38Å
127A97.6Very high97.6Very high20 Ų2041 Ų4117%0.16526%0.256CS..SBendtrans-63.1125.2-177.100000111.8A101 C102 N103 E147 Q148A101-A127 HydrophobicContact CB-CB 3.99Å; A101-A127 WeakPolarHBondContact O-CB 3.42Å; C102-A127 WeakPolarHBondContact O-CA 3.38Å; N103-A127 HydrophobicContact CB-CB 4.11Å; A127-E147 WeakPolarHBondContact O-CA 3.35Å; A127-Q148 PolarHBondContact O-N 2.87Å; A127-Q148 VanDerWaalsContact O-N 3.14Å
128R98.1Very high97.8Very high1 Ų143.3 Ų43.30%0.00426%0.261CS..EExtended strand (participates in β ladder)trans-155.2162.7-168.365.9-17569.5-165.9-3.9114.1G93 G94 C102 G126 H131 G144 Y146 D156G93-R128 CarbonylContact C-O 3.59Å; G93-R128 WeakPolarHBondContact CA-O 3.49Å; G94-R128 PolarHBondContact N-O 3.01Å; C102-R128 PolarHBondContact O-N 2.85Å; G126-R128 PolarHBondContact O-N 3.3Å; G126-R128 PolarHBondContact O-NE 2.97Å; R128-H131 HydrophobicContact CG-CB 4.5Å; R128-G144 PolarHBondContact NH1-O 3.11Å; R128-Y146 WeakPolarHBondContact CA-O 3.3Å; R128-Y146 VanDerWaalsContact CB-O 3.3Å; R128-Y146 WeakPolarHBondContact CB-O 3.43Å; R128-D156 IonicContact CZ-OD1 2.64Å; R128-D156 IonicContact CZ-OD2 3.51Å; R128-D156 VanDerWaalsContact NH1-CG 3.34Å; R128-D156 IonicContact NH1-OD1 3.51Å; R128-D156 PolarHBondContact NH1-OD1 2.92Å; R128-D156 IonicContact NH1-OD2 3.86Å; R128-D156 PolarHBondContact NH1-OD2 2.83Å; R128-D156 VanDerWaalsContact NH1-OD2 3.12Å; R128-D156 IonicContact NH2-OD1 3.12Å; R128-D156 IonicContact NH2-OD2 3.22Å; R128-D156 PolarHBondContact NH2-OD2 2.96Å
129D98.1Very high98Very high0 Ų044.1 Ų44.10%026%0.264CS..EExtended strand (participates in β ladder)trans-145.8170171.974.8-61.4000110.7G79 R95 H131 G145 Y146G79-D129 CarbonylContact O-C 3.44Å; G79-D129 WeakPolarHBondContact O-CA 3.44Å; G79-D129 WeakPolarHBondContact O-CB 3.46Å; R95-D129 HydrophobicContact CG-CB 4.3Å; R95-D129 IonicContact CZ-OD1 2.86Å; R95-D129 IonicContact CZ-OD2 3.45Å; R95-D129 IonicContact NE-OD1 3.15Å; R95-D129 PolarHBondContact NE-OD1 2.79Å; R95-D129 VanDerWaalsContact NE-OD1 3.15Å; R95-D129 IonicContact NE-OD2 3.91Å; R95-D129 VanDerWaalsContact NH1-CG 3.32Å; R95-D129 IonicContact NH1-OD1 3.55Å; R95-D129 IonicContact NH1-OD2 3.02Å; R95-D129 PolarHBondContact NH1-OD2 3.25Å; R95-D129 IonicContact NH2-OD1 2.54Å; R95-D129 PolarHBondContact NH2-OD1 2.96Å; R95-D129 IonicContact NH2-OD2 2.96Å; R95-D129 PolarHBondContact NH2-OD2 3.01Å; R95-D129 VanDerWaalsContact NH2-OD2 3.12Å; D129-H131 PolarHBondContact O-N 2.75Å; D129-G145 CarbonylContact O-C 3.53Å; D129-G145 VanDerWaalsContact O-CA 3.28Å; D129-G145 WeakPolarHBondContact O-CA 3.35Å; D129-Y146 PolarHBondContact N-O 2.88Å; D129-Y146 PolarHBondContact O-N 3.33Å
130G98.1Very high98.1Very high5 Ų532.7 Ų32.75%0.05222%0.221CC..SBendtrans63.810.3-176.400000113.2G79 D181 F182G79-G130 PolarHBondContact O-N 2.86Å; G130-D181 CarbonylContact O-C 3.57Å; G130-D181 WeakPolarHBondContact O-CA 3.43Å; G130-F182 PolarHBondContact O-N 3Å
131H98.8Very high98.2Very high11 Ų1131.2 Ų31.25%0.05121%0.211CC..  trans-73.7164168.166.1-79.1000109.3S81 W92 R128 D129 G144S81-H131 WeakPolarHBondContact CB-NE2 3.24Å; S81-H131 PolarHBondContact OG-CD2 3.41Å; S81-H131 PolarHBondContact OG-NE2 3.31Å; W92-H131 AromaticContact CD1-CE1 3.83Å; W92-H131 AromaticContact CD1-NE2 3.49Å; W92-H131 PolarHBondContact O-CE1 3.43Å; W92-H131 VanDerWaalsContact O-CE1 3.23Å; W92-H131 PolarHBondContact O-NE2 3.1Å; R128-H131 HydrophobicContact CG-CB 4.5Å; D129-H131 PolarHBondContact O-N 2.75Å; H131-G144 VanDerWaalsContact CB-O 3.24Å; H131-G144 WeakPolarHBondContact CB-O 3.4Å
132S98.7Very high98.2Very high10 Ų1028.4 Ų28.47%0.0719%0.191CC..EExtended strand (participates in β ladder)trans-106.5155.7170.162.10000110.5I142 F143 H183 A185S132-I142 VanDerWaalsContact O-CA 3.26Å; S132-I142 WeakPolarHBondContact O-CA 3.43Å; S132-F143 PolarHBondContact N-O 3.37Å; S132-F143 VanDerWaalsContact N-O 3.14Å; S132-F143 PolarHBondContact O-N 3.02Å; S132-H183 WeakPolarHBondContact CB-NE2 3.48Å; S132-H183 PolarHBondContact OG-CD2 3.28Å; S132-H183 PolarHBondContact OG-NE2 3.1Å; S132-A185 WeakPolarHBondContact OG-CB 3.33Å
133A98.7Very high98.2Very high21 Ų2125.8 Ų25.817%0.17416%0.164CC..EExtended strand (participates in β ladder)trans-134.3146.3170.600000111.3S81 V83 M140 Y141 I142S81-A133 VanDerWaalsContact OG-CB 3.27Å; S81-A133 WeakPolarHBondContact OG-CB 3.32Å; V83-A133 HydrophobicContact CG1-CB 3.75Å; A133-M140 HydrophobicContact CB-CE 3.62Å; A133-Y141 CarbonylContact C-O 3.54Å; A133-Y141 WeakPolarHBondContact CA-O 3.3Å; A133-I142 HydrophobicContact CB-CG2 4.04Å
134C98.4Very high98.2Very high10 Ų1022.5 Ų22.57%0.06814%0.144CC..EExtended strand (participates in β ladder)trans-149.7168.8173.561.70000110.5Y141 M187 M192C134-Y141 PolarHBondContact N-O 2.71Å; C134-Y141 PolarHBondContact O-N 2.92Å; C134-M187 HydrophobicContact CB-CB 4.1Å; C134-M192 VanDerWaalsContact SG-SD 3.69Å
135V98.3Very high98.3Very high40 Ų4019.6 Ų19.624%0.24213%0.127CC..EExtended strand (participates in β ladder)trans-127.1141.8-171.4174.20000110.8V83 I85 G137 I139 M187V83-V135 HydrophobicContact CB-CG2 3.47Å; V83-V135 VanDerWaalsContact CB-CG2 3.47Å; V83-V135 HydrophobicContact CG1-CG2 3.81Å; V83-V135 HydrophobicContact CG2-CG2 3.73Å; I85-V135 HydrophobicContact CD1-CG1 4.02Å; I85-V135 HydrophobicContact CD1-CG2 3.98Å; I85-V135 HydrophobicContact CG1-CG1 3.78Å; I85-V135 HydrophobicContact CG1-CG2 3.88Å; V135-G137 WeakPolarHBondContact CG1-O 3.46Å; V135-I139 WeakPolarHBondContact CA-O 3.4Å; V135-M187 WeakPolarHBondContact O-CG 3.34Å
136L98.1Very high98.3Very high63 Ų6321.7 Ų21.733%0.3314%0.135SC..EExtended strand (participates in β ladder)trans-132.9108.7163.3179.263.2000108.9K138 I139 Y141 M187 G189 T221L136-K138 PolarHBondContact O-N 3.2Å; L136-I139 PolarHBondContact N-O 3.38Å; L136-I139 PolarHBondContact O-N 2.86Å; L136-I139 VanDerWaalsContact O-N 3.11Å; L136-Y141 HydrophobicContact CB-CE2 3.99Å; L136-M187 HydrophobicContact CB-CE 4.22Å; L136-M187 HydrophobicContact CB-CG 4.37Å; L136-M187 HydrophobicContact CB-SD 4.46Å; L136-G189 WeakPolarHBondContact CD1-O 3.43Å; L136-T221 HydrophobicContact CD2-CG2 4.36Å; L136-T221 WeakPolarHBondContact CD2-OG1 3.4Å
137G97.6Very high98.3Very high63 Ų6323 Ų2365%0.64914%0.136SC*.THydrogen-bonded Turntrans60.8-124.5-17400000111.5V135 I139V135-G137 WeakPolarHBondContact CG1-O 3.46Å; G137-I139 VanDerWaalsContact C-N 3.31Å
138K98.1Very high98Very high101 Ų10126.4 Ų26.444%0.43915%0.149SC..THydrogen-bonded Turntrans-90.110177.7-69.2-160.4172.5-159.50114.2D86 L136 T162 S163D86-K138 IonicContact OD2-NZ 3.46Å; L136-K138 PolarHBondContact O-N 3.2Å; K138-T162 WeakPolarHBondContact CB-OG1 3.42Å; K138-T162 WeakPolarHBondContact O-CB 3.35Å; K138-T162 WeakPolarHBondContact O-CG2 3.32Å; K138-T162 PolarHBondContact O-N 3.47Å; K138-T162 PolarHBondContact O-OG1 2.9Å; K138-S163 WeakPolarHBondContact CD-OG 3.34Å
139I98.7Very high97.8Very high35 Ų3535 Ų3518%0.17919%0.189CC..EExtended strand (participates in β ladder)trans-108121.7-177.5-48.7-56.9000109.8V135 L136 G137 Y141 K159 L160 D161V135-I139 WeakPolarHBondContact CA-O 3.4Å; L136-I139 PolarHBondContact N-O 3.38Å; L136-I139 PolarHBondContact O-N 2.86Å; L136-I139 VanDerWaalsContact O-N 3.11Å; G137-I139 VanDerWaalsContact C-N 3.31Å; I139-Y141 HydrophobicContact CB-CE2 3.79Å; I139-Y141 HydrophobicContact CG2-CD2 4.01Å; I139-Y141 HydrophobicContact CG2-CE1 4.33Å; I139-Y141 HydrophobicContact CG2-CE2 3.41Å; I139-Y141 VanDerWaalsContact CG2-CE2 3.41Å; I139-K159 HydrophobicContact CG2-CB 3.71Å; I139-K159 HydrophobicContact CG2-CD 4.31Å; I139-K159 HydrophobicContact CG2-CG 4.37Å; I139-L160 WeakPolarHBondContact CA-O 3.46Å; I139-D161 HydrophobicContact CD1-CB 3.64Å
140M98.8Very high97.6Very high0 Ų037 Ų370%021%0.206CC..EExtended strand (participates in β ladder)trans-90.6130.9167172.8-176.3-174.500108.9V83 I85 L90 W92 A133 I142 K159 L160 W167V83-M140 HydrophobicContact CG1-CE 4.38Å; V83-M140 HydrophobicContact CG2-CB 4.22Å; V83-M140 HydrophobicContact CG2-CE 4.02Å; V83-M140 HydrophobicContact CG2-CG 3.81Å; V83-M140 HydrophobicContact CG2-SD 3.62Å; I85-M140 HydrophobicContact CD1-CB 4.15Å; L90-M140 HydrophobicContact CB-SD 4.29Å; L90-M140 HydrophobicContact CD1-SD 4.28Å; W92-M140 HydrophobicContact CB-CE 3.89Å; A133-M140 HydrophobicContact CB-CE 3.62Å; M140-I142 HydrophobicContact CE-CG2 3.72Å; M140-K159 CarbonylContact O-C 3.54Å; M140-K159 WeakPolarHBondContact O-CA 3.27Å; M140-L160 HydrophobicContact CB-CB 4.3Å; M140-L160 PolarHBondContact N-O 2.82Å; M140-L160 PolarHBondContact O-N 3.04Å; M140-W167 HydrophobicContact SD-CH2 4.27Å
141Y98.9Very high97.4Very high14 Ų1441 Ų416%0.05523%0.226CC..EExtended strand (participates in β ladder)trans-108.4135.4172.5-65.3-98.8000108.9A133 C134 L136 I139 I157 H158 K159 I170 M187 T221A133-Y141 CarbonylContact C-O 3.54Å; A133-Y141 WeakPolarHBondContact CA-O 3.3Å; C134-Y141 PolarHBondContact N-O 2.71Å; C134-Y141 PolarHBondContact O-N 2.92Å; L136-Y141 HydrophobicContact CB-CE2 3.99Å; I139-Y141 HydrophobicContact CB-CE2 3.79Å; I139-Y141 HydrophobicContact CG2-CD2 4.01Å; I139-Y141 HydrophobicContact CG2-CE1 4.33Å; I139-Y141 HydrophobicContact CG2-CE2 3.41Å; I139-Y141 VanDerWaalsContact CG2-CE2 3.41Å; Y141-I157 HydrophobicContact CD1-CG2 4.18Å; Y141-H158 WeakPolarHBondContact CA-O 3.46Å; Y141-K159 HydrophobicContact CD1-CB 3.9Å; Y141-K159 HydrophobicContact CE1-CB 3.88Å; Y141-K159 HydrophobicContact CE1-CD 4.19Å; Y141-K159 HydrophobicContact CG-CB 4.48Å; Y141-I170 HydrophobicContact CD1-CD1 4.09Å; Y141-I170 HydrophobicContact CE1-CD1 3.88Å; Y141-M187 HydrophobicContact CD2-CE 4Å; Y141-M187 HydrophobicContact CE2-CE 4.3Å; Y141-T221 HydrophobicContact CE1-CG2 3.97Å; Y141-T221 HydrophobicContact CE2-CG2 4.24Å
142I98.8Very high97.3Very high0 Ų041.3 Ų41.30%023%0.229CC..EExtended strand (participates in β ladder)trans-116.9145.1166.367.2171.4000109.8P125 S132 A133 M140 I157 H158 W167P125-I142 HydrophobicContact CB-CD1 3.69Å; P125-I142 HydrophobicContact CG-CD1 3.42Å; P125-I142 VanDerWaalsContact CG-CD1 3.42Å; P125-I142 HydrophobicContact CG-CG1 4.44Å; S132-I142 VanDerWaalsContact O-CA 3.26Å; S132-I142 WeakPolarHBondContact O-CA 3.43Å; A133-I142 HydrophobicContact CB-CG2 4.04Å; M140-I142 HydrophobicContact CE-CG2 3.72Å; I142-I157 WeakPolarHBondContact O-CA 3.5Å; I142-H158 HydrophobicContact CD1-CB 4.09Å; I142-H158 HydrophobicContact CG1-CB 3.72Å; I142-H158 PolarHBondContact N-O 2.93Å; I142-H158 PolarHBondContact O-N 2.93Å; I142-H158 VanDerWaalsContact O-N 3.1Å; I142-W167 HydrophobicContact CD1-CH2 4.26Å; I142-W167 HydrophobicContact CD1-CZ3 4.14Å; I142-W167 HydrophobicContact CG1-CH2 4.46Å; I142-W167 HydrophobicContact CG1-CZ3 4.08Å; I142-W167 HydrophobicContact CG2-CH2 4.09Å; I142-W167 HydrophobicContact CG2-CZ3 4.37Å
143F98.8Very high97.3Very high0 Ų041 Ų410%023%0.226CC..EExtended strand (participates in β ladder)trans-136.5134.9177.8171-110.6000111.2S132 N155 D156 I157 A177 R180 H183 M192 V194 W226S132-F143 PolarHBondContact N-O 3.37Å; S132-F143 VanDerWaalsContact N-O 3.14Å; S132-F143 PolarHBondContact O-N 3.02Å; F143-N155 HydrophobicContact CE2-CB 4.18Å; F143-N155 VanDerWaalsContact CE2-O 3.31Å; F143-N155 WeakPolarHBondContact CE2-O 3.36Å; F143-N155 HydrophobicContact CZ-CB 4.49Å; F143-D156 WeakPolarHBondContact CA-O 3.44Å; F143-D156 VanDerWaalsContact CD2-O 3.23Å; F143-D156 WeakPolarHBondContact CD2-O 3.42Å; F143-I157 HydrophobicContact CB-CG1 4.34Å; F143-I157 HydrophobicContact CD2-CD1 4.37Å; F143-I157 HydrophobicContact CD2-CG1 3.57Å; F143-I157 HydrophobicContact CE2-CG1 4.4Å; F143-I157 HydrophobicContact CG-CG1 4.32Å; F143-A177 HydrophobicContact CE1-CB 4.19Å; F143-A177 HydrophobicContact CE2-CB 4.26Å; F143-A177 HydrophobicContact CZ-CB 3.53Å; F143-R180 HydrophobicContact CE1-CG 4.18Å; F143-H183 AromaticContact CD1-CD2 3.79Å; F143-H183 AromaticContact CD1-CE1 3.93Å; F143-H183 AromaticContact CD1-NE2 3.14Å; F143-H183 WeakPolarHBondContact CD1-NE2 3.26Å; F143-H183 AromaticContact CE1-NE2 3.64Å; F143-H183 PolarHBondContact O-CE1 2.66Å; F143-H183 PolarHBondContact O-NE2 3.04Å; F143-M192 HydrophobicContact CB-CE 4.06Å; F143-M192 HydrophobicContact CB-SD 4.31Å; F143-M192 HydrophobicContact CG-CE 4.31Å; F143-V194 HydrophobicContact CD1-CG1 4.09Å; F143-V194 HydrophobicContact CD1-CG2 3.72Å; F143-V194 HydrophobicContact CE1-CB 4.41Å; F143-V194 HydrophobicContact CE1-CG1 3.64Å; F143-V194 HydrophobicContact CE1-CG2 3.98Å; F143-W226 HydrophobicContact CD2-CH2 4.35Å; F143-W226 AromaticContact CD2-CZ2 3.97Å; F143-W226 HydrophobicContact CD2-CZ2 3.97Å; F143-W226 HydrophobicContact CE1-CH2 4.32Å; F143-W226 AromaticContact CE2-CH2 3.97Å; F143-W226 HydrophobicContact CE2-CH2 3.97Å; F143-W226 AromaticContact CE2-CZ2 3.54Å; F143-W226 HydrophobicContact CE2-CZ2 3.54Å; F143-W226 AromaticContact CZ-CH2 4Å; F143-W226 HydrophobicContact CZ-CH2 4Å; F143-W226 AromaticContact CZ-CZ2 3.99Å; F143-W226 HydrophobicContact CZ-CZ2 3.99Å
144G98.4Very high97.3Very high0 Ų040.5 Ų40.50%022%0.221CC..  trans60.9-141.1173.200000114.9R128 H131 S154 D156R128-G144 PolarHBondContact NH1-O 3.11Å; H131-G144 VanDerWaalsContact CB-O 3.24Å; H131-G144 WeakPolarHBondContact CB-O 3.4Å; G144-S154 WeakPolarHBondContact CA-O 3.46Å; G144-D156 PolarHBondContact N-O 2.88Å; G144-D156 VanDerWaalsContact N-O 3.14Å
145G98.3Very high97.2Very high0 Ų042.6 Ų42.60%023%0.232CC..  trans96.4178.3-171.900000112.6D129 F153 S154 R180D129-G145 CarbonylContact O-C 3.53Å; D129-G145 VanDerWaalsContact O-CA 3.28Å; D129-G145 WeakPolarHBondContact O-CA 3.35Å; G145-F153 WeakPolarHBondContact O-CA 3.29Å; G145-S154 PolarHBondContact O-N 2.86Å; G145-R180 PolarHBondContact N-O 2.92Å
146Y97.9Very high97.2Very high45 Ų4542.1 Ų42.118%0.17623%0.228CC..EExtended strand (participates in β ladder)trans-99.1120.2171.1174.7-92.5000109R128 D129 Q148 D151 C152 F153R128-Y146 WeakPolarHBondContact CA-O 3.3Å; R128-Y146 VanDerWaalsContact CB-O 3.3Å; R128-Y146 WeakPolarHBondContact CB-O 3.43Å; D129-Y146 PolarHBondContact N-O 2.88Å; D129-Y146 PolarHBondContact O-N 3.33Å; Y146-Q148 HydrophobicContact CE1-CB 4.47Å; Y146-D151 WeakPolarHBondContact CE2-OD1 3.38Å; Y146-D151 PolarHBondContact OH-OD1 2.81Å; Y146-C152 WeakPolarHBondContact CA-O 3.37Å; Y146-F153 HydrophobicContact CD2-CD1 4.13Å; Y146-F153 HydrophobicContact CD2-CE1 4.11Å
147E96.9Very high97.2Very high43 Ų4339.1 Ų39.120%0.20121%0.212CC..EExtended strand (participates in β ladder)trans-91.5114.4177.8-178.3173.4-131.400109.4G126 A127 Q149 A150 D151 C152G126-E147 WeakPolarHBondContact CA-OE1 3.38Å; A127-E147 WeakPolarHBondContact O-CA 3.35Å; E147-Q149 PolarHBondContact O-N 3.36Å; E147-A150 HydrophobicContact CB-CB 4.48Å; E147-A150 HydrophobicContact CG-CB 4.14Å; E147-A150 WeakPolarHBondContact OE2-CB 3.31Å; E147-D151 PolarHBondContact O-N 3.25Å; E147-C152 PolarHBondContact N-O 3.29Å; E147-C152 PolarHBondContact O-N 3.43Å
148Q92.1Very high97.3Very high92 Ų9236.7 Ų36.743%0.4318%0.184SC..THydrogen-bonded Turntrans-66.6-41.9-170.2177.4176.4-21.100112.7A101 A127 Y146 A150 D151A101-Q148 HydrophobicContact CB-CB 3.92Å; A127-Q148 PolarHBondContact O-N 2.87Å; A127-Q148 VanDerWaalsContact O-N 3.14Å; Y146-Q148 HydrophobicContact CE1-CB 4.47Å; Q148-A150 VanDerWaalsContact C-N 3.33Å; Q148-A150 PolarHBondContact O-N 2.67Å; Q148-D151 PolarHBondContact O-N 2.97Å
149Q92.8Very high97.3Very high182 Ų18234.2 Ų34.285%0.8517%0.174SC*.THydrogen-bonded Turntrans-68.6-34.5-175.1-173.2174.94.100112.3E147 D151E147-Q149 PolarHBondContact O-N 3.36Å; Q149-D151 VanDerWaalsContact C-N 3.35Å
150A94.1Very high97.3Very high43 Ų4332.6 Ų32.636%0.35517%0.165SC..THydrogen-bonded Turntrans-88.3-5.317700000113E147 Q148 C152E147-A150 HydrophobicContact CB-CB 4.48Å; E147-A150 HydrophobicContact CG-CB 4.14Å; E147-A150 WeakPolarHBondContact OE2-CB 3.31Å; Q148-A150 VanDerWaalsContact C-N 3.33Å; Q148-A150 PolarHBondContact O-N 2.67Å; A150-C152 PolarHBondContact O-N 2.88Å
151D95.1Very high97.3Very high88 Ų8835.1 Ų35.147%0.47118%0.179SC..THydrogen-bonded Turntrans47.246.7-174.5-172.717.4000112.5Y146 E147 Q148 Q149 F205Y146-D151 WeakPolarHBondContact CE2-OD1 3.38Å; Y146-D151 PolarHBondContact OH-OD1 2.81Å; E147-D151 PolarHBondContact O-N 3.25Å; Q148-D151 PolarHBondContact O-N 2.97Å; Q149-D151 VanDerWaalsContact C-N 3.35Å; D151-F205 WeakPolarHBondContact O-CD1 3.44Å
152C97Very high97.3Very high18 Ų1835.5 Ų35.512%0.12218%0.183CC..EExtended strand (participates in β ladder)trans-146.7154.6-173.979.60000113.8Y146 E147 A150 P204 F205Y146-C152 WeakPolarHBondContact CA-O 3.37Å; E147-C152 PolarHBondContact N-O 3.29Å; E147-C152 PolarHBondContact O-N 3.43Å; A150-C152 PolarHBondContact O-N 2.88Å; C152-P204 CarbonylContact C-O 3.59Å; C152-P204 WeakPolarHBondContact CA-O 3.26Å; C152-P204 HydrophobicContact CB-CB 4.11Å; C152-F205 HydrophobicContact CB-CD1 3.87Å; C152-F205 HydrophobicContact CB-CE1 3.85Å
153F97.9Very high97.2Very high3 Ų339.3 Ų39.31%0.01321%0.209CC..EExtended strand (participates in β ladder)trans-71.8128.7165.4-57.2-58000109.4G145 Y146 W179 D181 D200 P204 H206G145-F153 WeakPolarHBondContact O-CA 3.29Å; Y146-F153 HydrophobicContact CD2-CD1 4.13Å; Y146-F153 HydrophobicContact CD2-CE1 4.11Å; F153-W179 HydrophobicContact CB-CB 3.77Å; F153-W179 HydrophobicContact CB-CG 4.18Å; F153-W179 VanDerWaalsContact O-CB 3.23Å; F153-W179 WeakPolarHBondContact O-CB 3.34Å; F153-D181 HydrophobicContact CD1-CB 4.05Å; F153-D181 HydrophobicContact CE1-CB 4.22Å; F153-D181 WeakPolarHBondContact CE1-OD2 3.46Å; F153-D200 HydrophobicContact CD2-CB 4.29Å; F153-D200 HydrophobicContact CE2-CB 4Å; F153-P204 WeakPolarHBondContact CB-O 3.34Å; F153-P204 WeakPolarHBondContact CD2-O 3.32Å; F153-P204 PolarHBondContact N-O 3.06Å; F153-P204 WeakPolarHBondContact O-CB 3.4Å; F153-H206 HydrophobicContact CE2-CB 4.33Å; F153-H206 HydrophobicContact CZ-CB 4.38Å
154S97.7Very high97.2Very high10 Ų1043.3 Ų43.37%0.0723%0.234CC..  trans-91153.3174.5179.10000111.5G144 G145 D156 W179 R180G144-S154 WeakPolarHBondContact CA-O 3.46Å; G145-S154 PolarHBondContact O-N 2.86Å; S154-D156 PolarHBondContact OG-N 2.82Å; S154-D156 PolarHBondContact OG-OD2 2.87Å; S154-W179 VanDerWaalsContact O-CA 3.31Å; S154-W179 WeakPolarHBondContact O-CA 3.43Å; S154-R180 PolarHBondContact O-N 2.85Å; S154-R180 VanDerWaalsContact O-N 3.15Å
155N97.2Very high97.2Very high54 Ų5445.6 Ų45.629%0.28925%0.245SC..  trans-12517.3162.268.3-22000112.5F143 A177 W179F143-N155 HydrophobicContact CE2-CB 4.18Å; F143-N155 VanDerWaalsContact CE2-O 3.31Å; F143-N155 WeakPolarHBondContact CE2-O 3.36Å; F143-N155 HydrophobicContact CZ-CB 4.49Å; N155-A177 VanDerWaalsContact CB-O 3.29Å; N155-A177 WeakPolarHBondContact CB-O 3.4Å; N155-A177 PolarHBondContact ND2-O 3.22Å; N155-W179 HydrophobicContact CB-CB 4.28Å
156D97.8Very high97.2Very high30 Ų3047.6 Ų47.616%0.1626%0.257CS..  trans-67.5154.9176.37146.4000111.2R128 F143 G144 S154 H158 L169R128-D156 IonicContact CZ-OD1 2.64Å; R128-D156 IonicContact CZ-OD2 3.51Å; R128-D156 VanDerWaalsContact NH1-CG 3.34Å; R128-D156 IonicContact NH1-OD1 3.51Å; R128-D156 PolarHBondContact NH1-OD1 2.92Å; R128-D156 IonicContact NH1-OD2 3.86Å; R128-D156 PolarHBondContact NH1-OD2 2.83Å; R128-D156 VanDerWaalsContact NH1-OD2 3.12Å; R128-D156 IonicContact NH2-OD1 3.12Å; R128-D156 IonicContact NH2-OD2 3.22Å; R128-D156 PolarHBondContact NH2-OD2 2.96Å; F143-D156 WeakPolarHBondContact CA-O 3.44Å; F143-D156 VanDerWaalsContact CD2-O 3.23Å; F143-D156 WeakPolarHBondContact CD2-O 3.42Å; G144-D156 PolarHBondContact N-O 2.88Å; G144-D156 VanDerWaalsContact N-O 3.14Å; S154-D156 PolarHBondContact OG-N 2.82Å; S154-D156 PolarHBondContact OG-OD2 2.87Å; D156-H158 VanDerWaalsContact CG-ND1 3.3Å; D156-H158 IonicContact OD1-CE1 2.67Å; D156-H158 PolarHBondContact OD1-CE1 3.32Å; D156-H158 IonicContact OD1-ND1 3.67Å; D156-H158 PolarHBondContact OD1-ND1 2.94Å; D156-H158 IonicContact OD2-CE1 4Å; D156-H158 PolarHBondContact OD2-CE1 3.43Å; D156-H158 IonicContact OD2-ND1 3.42Å; D156-L169 HydrophobicContact CB-CD1 3.98Å
157I98.8Very high97.3Very high0 Ų045.5 Ų45.50%025%0.249CC..EExtended strand (participates in β ladder)trans-118122.6164.9-58.3174.2000107.3Y141 I142 F143 I170 T172 M192 F219 W226Y141-I157 HydrophobicContact CD1-CG2 4.18Å; I142-I157 WeakPolarHBondContact O-CA 3.5Å; F143-I157 HydrophobicContact CB-CG1 4.34Å; F143-I157 HydrophobicContact CD2-CD1 4.37Å; F143-I157 HydrophobicContact CD2-CG1 3.57Å; F143-I157 HydrophobicContact CE2-CG1 4.4Å; F143-I157 HydrophobicContact CG-CG1 4.32Å; I157-I170 HydrophobicContact CB-CB 4.36Å; I157-I170 HydrophobicContact CB-CD1 4.36Å; I157-I170 HydrophobicContact CG2-CD1 3.64Å; I157-I170 HydrophobicContact CG2-CG1 4.25Å; I157-I170 PolarHBondContact O-N 2.81Å; I157-T172 HydrophobicContact CB-CG2 4.28Å; I157-T172 HydrophobicContact CD1-CG2 3.81Å; I157-T172 HydrophobicContact CG1-CG2 4.16Å; I157-M192 HydrophobicContact CD1-CE 3.66Å; I157-M192 HydrophobicContact CG1-CE 4.18Å; I157-F219 HydrophobicContact CD1-CB 4.28Å; I157-F219 HydrophobicContact CD1-CD1 3.79Å; I157-F219 HydrophobicContact CD1-CD2 3.41Å; I157-F219 VanDerWaalsContact CD1-CD2 3.41Å; I157-F219 HydrophobicContact CD1-CE1 3.88Å; I157-F219 HydrophobicContact CD1-CE2 3.53Å; I157-F219 HydrophobicContact CD1-CG 3.54Å; I157-F219 HydrophobicContact CD1-CZ 3.76Å; I157-W226 HydrophobicContact CD1-CZ2 3.74Å; I157-W226 HydrophobicContact CG1-CZ2 4.35Å
158H98.8Very high97.3Very high12 Ų1246.5 Ų46.56%0.05626%0.258CS..EExtended strand (participates in β ladder)trans-111.1145.3167.8-68.480000109.6T123 P125 Y141 I142 D156 W167 T168T123-H158 PolarHBondContact O-CD2 2.88Å; P125-H158 HydrophobicContact CB-CB 4.5Å; P125-H158 HydrophobicContact CG-CB 3.76Å; Y141-H158 WeakPolarHBondContact CA-O 3.46Å; I142-H158 HydrophobicContact CD1-CB 4.09Å; I142-H158 HydrophobicContact CG1-CB 3.72Å; I142-H158 PolarHBondContact N-O 2.93Å; I142-H158 PolarHBondContact O-N 2.93Å; I142-H158 VanDerWaalsContact O-N 3.1Å; D156-H158 VanDerWaalsContact CG-ND1 3.3Å; D156-H158 IonicContact OD1-CE1 2.67Å; D156-H158 PolarHBondContact OD1-CE1 3.32Å; D156-H158 IonicContact OD1-ND1 3.67Å; D156-H158 PolarHBondContact OD1-ND1 2.94Å; D156-H158 IonicContact OD2-CE1 4Å; D156-H158 PolarHBondContact OD2-CE1 3.43Å; D156-H158 IonicContact OD2-ND1 3.42Å; H158-W167 HydrophobicContact CB-CE3 3.89Å; H158-W167 HydrophobicContact CB-CZ3 4.05Å; H158-T168 WeakPolarHBondContact CA-O 3.14Å
159K98.6Very high97.7Very high50 Ų5045.8 Ų45.822%0.21726%0.257CS..EExtended strand (participates in β ladder)trans-120.6139170.867.6-178.2-179.1-169.40111.1I139 M140 Y141 W167 T168 I170 E224I139-K159 HydrophobicContact CG2-CB 3.71Å; I139-K159 HydrophobicContact CG2-CD 4.31Å; I139-K159 HydrophobicContact CG2-CG 4.37Å; M140-K159 CarbonylContact O-C 3.54Å; M140-K159 WeakPolarHBondContact O-CA 3.27Å; Y141-K159 HydrophobicContact CD1-CB 3.9Å; Y141-K159 HydrophobicContact CE1-CB 3.88Å; Y141-K159 HydrophobicContact CE1-CD 4.19Å; Y141-K159 HydrophobicContact CG-CB 4.48Å; K159-W167 CarbonylContact O-C 3.51Å; K159-W167 WeakPolarHBondContact O-CA 3.24Å; K159-T168 PolarHBondContact N-O 2.87Å; K159-T168 PolarHBondContact O-N 2.81Å; K159-I170 HydrophobicContact CB-CD1 4.21Å; K159-I170 HydrophobicContact CD-CD1 3.89Å; K159-I170 HydrophobicContact CD-CG1 4.13Å; K159-I170 HydrophobicContact CG-CD1 4.14Å; K159-I170 HydrophobicContact CG-CG1 4.12Å; K159-E224 IonicContact NZ-OE1 3.93Å; K159-E224 PolarHBondContact NZ-OE1 2.97Å
160L98.9Very high97.9Very high0 Ų037.5 Ų37.50%022%0.218CC..EExtended strand (participates in β ladder)trans-108.6118.5172.117464.9000108.6L90 L105 V120 I139 M140 T162 W167L90-L160 HydrophobicContact CD1-CD2 4.14Å; L105-L160 HydrophobicContact CD1-CD2 4.23Å; L105-L160 HydrophobicContact CD2-CD2 3.57Å; V120-L160 HydrophobicContact CG1-CD1 4.46Å; I139-L160 WeakPolarHBondContact CA-O 3.46Å; M140-L160 HydrophobicContact CB-CB 4.3Å; M140-L160 PolarHBondContact N-O 2.82Å; M140-L160 PolarHBondContact O-N 3.04Å; L160-T162 HydrophobicContact CD2-CG2 4.39Å; L160-T162 HydrophobicContact CG-CG2 4.42Å; L160-T162 PolarHBondContact O-N 3.43Å; L160-W167 HydrophobicContact CB-CD2 3.72Å; L160-W167 HydrophobicContact CB-CE3 3.62Å; L160-W167 HydrophobicContact CB-CH2 3.69Å; L160-W167 HydrophobicContact CB-CZ2 3.79Å; L160-W167 HydrophobicContact CB-CZ3 3.6Å; L160-W167 HydrophobicContact CD1-CD2 4.04Å; L160-W167 HydrophobicContact CD1-CG 4.05Å; L160-W167 HydrophobicContact CD1-CZ2 4.5Å; L160-W167 HydrophobicContact CD2-CH2 4.32Å; L160-W167 HydrophobicContact CD2-CZ2 3.79Å; L160-W167 HydrophobicContact CG-CD2 4.37Å; L160-W167 HydrophobicContact CG-CZ2 4.24Å
161D98.6Very high98Very high53 Ų5340.6 Ų40.628%0.28324%0.236SC..EExtended strand (participates in β ladder)trans-80.8112.7164.5-169.6-25.8000109.1I139 S163 T164 M165 T166I139-D161 HydrophobicContact CD1-CB 3.64Å; D161-S163 PolarHBondContact O-N 3.17Å; D161-S163 WeakPolarHBondContact OD1-CA 3.37Å; D161-S163 WeakPolarHBondContact OD1-CB 3.22Å; D161-S163 PolarHBondContact OD1-N 2.86Å; D161-S163 PolarHBondContact OD1-OG 2.77Å; D161-T164 PolarHBondContact O-N 3.44Å; D161-M165 WeakPolarHBondContact O-CA 3.37Å; D161-M165 PolarHBondContact O-N 3.43Å; D161-T166 PolarHBondContact N-O 3.13Å; D161-T166 PolarHBondContact O-N 2.83Å
162T98.3Very high98Very high23 Ų2338.5 Ų38.514%0.14123%0.226CC..THydrogen-bonded Turntrans-74.6-12.5-17959.20000113.5I85 L90 K138 L160I85-T162 HydrophobicContact CD1-CG2 3.55Å; L90-T162 HydrophobicContact CD1-CG2 3.58Å; K138-T162 WeakPolarHBondContact CB-OG1 3.42Å; K138-T162 WeakPolarHBondContact O-CB 3.35Å; K138-T162 WeakPolarHBondContact O-CG2 3.32Å; K138-T162 PolarHBondContact O-N 3.47Å; K138-T162 PolarHBondContact O-OG1 2.9Å; L160-T162 HydrophobicContact CD2-CG2 4.39Å; L160-T162 HydrophobicContact CG-CG2 4.42Å; L160-T162 PolarHBondContact O-N 3.43Å
163S97.9Very high98Very high79 Ų7944 Ų4455%0.55225%0.248SC*.THydrogen-bonded Turntrans-73.8-32.9174.8-37.90000111.3K138 D161K138-S163 WeakPolarHBondContact CD-OG 3.34Å; D161-S163 PolarHBondContact O-N 3.17Å; D161-S163 WeakPolarHBondContact OD1-CA 3.37Å; D161-S163 WeakPolarHBondContact OD1-CB 3.22Å; D161-S163 PolarHBondContact OD1-N 2.86Å; D161-S163 PolarHBondContact OD1-OG 2.77Å
164T98.1Very high97.8Very high85 Ų8546.5 Ų46.552%0.52128%0.275SS..THydrogen-bonded Turntrans-113.5-9.2-179.669.10000113.4D161 T166D161-T164 PolarHBondContact O-N 3.44Å; T164-T166 VanDerWaalsContact C-N 3.26Å; T164-T166 PolarHBondContact O-N 2.88Å; T164-T166 PolarHBondContact O-OG1 3.24Å; T164-T166 VanDerWaalsContact OG1-CB 3.28Å; T164-T166 WeakPolarHBondContact OG1-CB 3.02Å; T164-T166 PolarHBondContact OG1-N 3.39Å; T164-T166 PolarHBondContact OG1-OG1 3.37Å
165M98.3Very high97.7Very high48 Ų4851 Ų5124%0.23630%0.298CS..THydrogen-bonded Turntrans52.743-169.6-65.1-67.6177.400112.3L105 P118 R119 V120 S121 D161L105-M165 HydrophobicContact CD2-SD 4.2Å; P118-M165 HydrophobicContact CB-CE 4.12Å; P118-M165 HydrophobicContact CB-CG 4.31Å; P118-M165 HydrophobicContact CB-SD 3.92Å; P118-M165 HydrophobicContact CG-CE 4.29Å; P118-M165 HydrophobicContact CG-SD 4.49Å; R119-M165 WeakPolarHBondContact O-CB 3.17Å; V120-M165 VanDerWaalsContact CA-O 3.26Å; V120-M165 WeakPolarHBondContact CA-O 3.43Å; V120-M165 HydrophobicContact CG1-CB 4.5Å; S121-M165 PolarHBondContact N-O 2.97Å; D161-M165 WeakPolarHBondContact O-CA 3.37Å; D161-M165 PolarHBondContact O-N 3.43Å
166T98.8Very high97.5Very high41 Ų4151 Ų5125%0.25230%0.301SS..EExtended strand (participates in β ladder)trans-113.3123.6-178.7-50.60000111S121 D161 T164S121-T166 PolarHBondContact OG-OG1 2.67Å; D161-T166 PolarHBondContact N-O 3.13Å; D161-T166 PolarHBondContact O-N 2.83Å; T164-T166 VanDerWaalsContact C-N 3.26Å; T164-T166 PolarHBondContact O-N 2.88Å; T164-T166 PolarHBondContact O-OG1 3.24Å; T164-T166 VanDerWaalsContact OG1-CB 3.28Å; T164-T166 WeakPolarHBondContact OG1-CB 3.02Å; T164-T166 PolarHBondContact OG1-N 3.39Å; T164-T166 PolarHBondContact OG1-OG1 3.37Å
167W98.9Very high97.4Very high2 Ų249.5 Ų49.51%0.00829%0.293CS..EExtended strand (participates in β ladder)trans-81.8141170.5-73.9102.8000111.2W92 S121 G122 T123 P125 M140 I142 H158 K159 L160W92-W167 HydrophobicContact CD2-CH2 4.39Å; W92-W167 AromaticContact CD2-CZ2 3.94Å; W92-W167 HydrophobicContact CD2-CZ2 3.94Å; W92-W167 AromaticContact CE3-CZ2 3.72Å; W92-W167 HydrophobicContact CE3-CZ2 3.72Å; W92-W167 HydrophobicContact CH2-CZ2 4.37Å; W92-W167 AromaticContact CZ3-CZ2 3.94Å; W92-W167 HydrophobicContact CZ3-CZ2 3.94Å; W92-W167 AromaticContact CZ3-NE1 3.87Å; S121-W167 PolarHBondContact O-N 3.22Å; G122-W167 WeakPolarHBondContact CA-O 3.27Å; T123-W167 PolarHBondContact N-O 2.75Å; T123-W167 VanDerWaalsContact O-CB 3.3Å; T123-W167 WeakPolarHBondContact O-CB 3.4Å; T123-W167 PolarHBondContact OG1-O 2.96Å; P125-W167 HydrophobicContact CG-CD2 4Å; P125-W167 HydrophobicContact CG-CE3 3.83Å; P125-W167 HydrophobicContact CG-CH2 4.41Å; P125-W167 HydrophobicContact CG-CZ3 4.05Å; M140-W167 HydrophobicContact SD-CH2 4.27Å; I142-W167 HydrophobicContact CD1-CH2 4.26Å; I142-W167 HydrophobicContact CD1-CZ3 4.14Å; I142-W167 HydrophobicContact CG1-CH2 4.46Å; I142-W167 HydrophobicContact CG1-CZ3 4.08Å; I142-W167 HydrophobicContact CG2-CH2 4.09Å; I142-W167 HydrophobicContact CG2-CZ3 4.37Å; H158-W167 HydrophobicContact CB-CE3 3.89Å; H158-W167 HydrophobicContact CB-CZ3 4.05Å; K159-W167 CarbonylContact O-C 3.51Å; K159-W167 WeakPolarHBondContact O-CA 3.24Å; L160-W167 HydrophobicContact CB-CD2 3.72Å; L160-W167 HydrophobicContact CB-CE3 3.62Å; L160-W167 HydrophobicContact CB-CH2 3.69Å; L160-W167 HydrophobicContact CB-CZ2 3.79Å; L160-W167 HydrophobicContact CB-CZ3 3.6Å; L160-W167 HydrophobicContact CD1-CD2 4.04Å; L160-W167 HydrophobicContact CD1-CG 4.05Å; L160-W167 HydrophobicContact CD1-CZ2 4.5Å; L160-W167 HydrophobicContact CD2-CH2 4.32Å; L160-W167 HydrophobicContact CD2-CZ2 3.79Å; L160-W167 HydrophobicContact CG-CD2 4.37Å; L160-W167 HydrophobicContact CG-CZ2 4.24Å
168T98.8Very high97.3Very high63 Ų6352.1 Ų52.139%0.38730%0.303SS..EExtended strand (participates in β ladder)trans-133.3126.1173.1-55.50000109.5T123 H158 K159T123-T168 VanDerWaalsContact OG1-C 3.3Å; T123-T168 VanDerWaalsContact OG1-CA 3.26Å; T123-T168 WeakPolarHBondContact OG1-CA 3.49Å; H158-T168 WeakPolarHBondContact CA-O 3.14Å; K159-T168 PolarHBondContact N-O 2.87Å; K159-T168 PolarHBondContact O-N 2.81Å
169L98.6Very high97.2Very high78 Ų7854.4 Ų54.441%0.40831%0.311SS..EExtended strand (participates in β ladder)trans-73.9122.5167.2172.262.3000107.5T123 D156T123-L169 PolarHBondContact OG1-N 2.88Å; D156-L169 HydrophobicContact CB-CD1 3.98Å
170I98.3Very high97.2Very high8 Ų852.3 Ų52.34%0.04130%0.302CS..  trans-82122.4179.1-56.3-174.8000109Y141 I157 K159 T172 F219 E224Y141-I170 HydrophobicContact CD1-CD1 4.09Å; Y141-I170 HydrophobicContact CE1-CD1 3.88Å; I157-I170 HydrophobicContact CB-CB 4.36Å; I157-I170 HydrophobicContact CB-CD1 4.36Å; I157-I170 HydrophobicContact CG2-CD1 3.64Å; I157-I170 HydrophobicContact CG2-CG1 4.25Å; I157-I170 PolarHBondContact O-N 2.81Å; K159-I170 HydrophobicContact CB-CD1 4.21Å; K159-I170 HydrophobicContact CD-CD1 3.89Å; K159-I170 HydrophobicContact CD-CG1 4.13Å; K159-I170 HydrophobicContact CG-CD1 4.14Å; K159-I170 HydrophobicContact CG-CG1 4.12Å; I170-T172 HydrophobicContact CB-CG2 4.34Å; I170-T172 HydrophobicContact CG2-CG2 4.05Å; I170-T172 PolarHBondContact O-N 3.24Å; I170-F219 HydrophobicContact CD1-CE1 4.29Å; I170-F219 HydrophobicContact CD1-CZ 4.07Å; I170-F219 HydrophobicContact CG2-CZ 4.1Å; I170-E224 HydrophobicContact CG2-CB 3.69Å; I170-E224 HydrophobicContact CG2-CG 3.9Å
171C96.3Very high97.2Very high108 Ų10852.3 Ų52.373%0.7330%0.302SS*.  trans-74.979.4168.2-62.20000109.5
172T95.3Very high97.2Very high43 Ų4350.4 Ų50.426%0.26429%0.291SS..  trans-62.7137.1-172.965.40000112.1I157 I170 F219 E224I157-T172 HydrophobicContact CB-CG2 4.28Å; I157-T172 HydrophobicContact CD1-CG2 3.81Å; I157-T172 HydrophobicContact CG1-CG2 4.16Å; I170-T172 HydrophobicContact CB-CG2 4.34Å; I170-T172 HydrophobicContact CG2-CG2 4.05Å; I170-T172 PolarHBondContact O-N 3.24Å; T172-F219 HydrophobicContact CG2-CE2 3.84Å; T172-F219 HydrophobicContact CG2-CZ 4.5Å; T172-E224 WeakPolarHBondContact CA-O 3.44Å
173K96Very high97.2Very high134 Ų13450 Ų5058%0.58329%0.287SS*.BIsolated β-bridgetrans-96166.2173-60169.4-171.1163.60111.5E224 A225 W226K173-E224 PolarHBondContact N-O 3.23Å; K173-A225 HydrophobicContact CB-CB 3.88Å; K173-A225 WeakPolarHBondContact O-CA 3.17Å; K173-W226 PolarHBondContact O-N 3Å
174G95Very high97.2Very high56 Ų5646.8 Ų46.858%0.57727%0.265SS*.SBendtrans75.4-164.2-179.800000112.6P176G174-P176 WeakPolarHBondContact O-CD 3.46Å
175N94.3Very high97.2Very high105 Ų10543.3 Ų43.356%0.56125%0.245SC*.SBendtrans-85.5116.4179.1-67.4-47.8000108.9R217 W226N175-R217 PolarHBondContact O-NH2 2.61Å; N175-W226 WeakPolarHBondContact O-CB 3.5Å
176P93.9Very high97.2Very high52 Ų5241.7 Ų41.734%0.33824%0.238SC..PPolyproline II helixtrans-71.2159.1-177.927.7-34.3000113.5G174 R217 W226G174-P176 WeakPolarHBondContact O-CD 3.46Å; P176-R217 PolarHBondContact O-NH1 2.87Å; P176-R217 PolarHBondContact O-NH2 3.28Å; P176-R217 VanDerWaalsContact O-NH2 3.1Å; P176-W226 VanDerWaalsContact CA-CD1 3.43Å; P176-W226 HydrophobicContact CB-CG 4.5Å
177A95.8Very high97.2Very high0 Ų041.2 Ų41.20%023%0.233CC..PPolyproline II helixtrans-58.8140.7160.200000109.2F143 N155 R217 W226F143-A177 HydrophobicContact CE1-CB 4.19Å; F143-A177 HydrophobicContact CE2-CB 4.26Å; F143-A177 HydrophobicContact CZ-CB 3.53Å; N155-A177 VanDerWaalsContact CB-O 3.29Å; N155-A177 WeakPolarHBondContact CB-O 3.4Å; N155-A177 PolarHBondContact ND2-O 3.22Å; A177-R217 HydrophobicContact CB-CB 3.97Å; A177-R217 HydrophobicContact CB-CG 3.92Å; A177-W226 HydrophobicContact CB-CE3 4.18Å; A177-W226 HydrophobicContact CB-CH2 3.31Å; A177-W226 HydrophobicContact CB-CZ2 3.66Å; A177-W226 HydrophobicContact CB-CZ3 3.61Å
178R95.4Very high97.2Very high55 Ų5542.3 Ų42.321%0.20824%0.239CC..PPolyproline II helixtrans-57.8147.7174-125.8171.868.3100.79.8111R180 A199 D200 R201R178-R180 VanDerWaalsContact N-NH2 3.1Å; R178-R180 PolarHBondContact O-NE 2.67Å; R178-R180 PolarHBondContact O-NH2 3.2Å; R178-R180 VanDerWaalsContact O-NH2 3.14Å; R178-A199 VanDerWaalsContact NH2-C 3.33Å; R178-D200 PolarHBondContact NH1-O 2.87Å; R178-D200 PolarHBondContact NH2-O 2.82Å; R178-R201 PolarHBondContact NH1-O 2.76Å
179W97.6Very high97.1Very high60 Ų6042.3 Ų42.323%0.22725%0.251CS..PPolyproline II helixtrans-49.3136.3170.251.184.9000111.3F153 S154 N155 A199 D200 G203 P204F153-W179 HydrophobicContact CB-CB 3.77Å; F153-W179 HydrophobicContact CB-CG 4.18Å; F153-W179 VanDerWaalsContact O-CB 3.23Å; F153-W179 WeakPolarHBondContact O-CB 3.34Å; S154-W179 VanDerWaalsContact O-CA 3.31Å; S154-W179 WeakPolarHBondContact O-CA 3.43Å; N155-W179 HydrophobicContact CB-CB 4.28Å; W179-A199 WeakPolarHBondContact O-CB 3.34Å; W179-D200 PolarHBondContact NE1-O 2.76Å; W179-D200 VanDerWaalsContact NE1-O 3.1Å; W179-G203 VanDerWaalsContact CE2-O 3.23Å; W179-G203 VanDerWaalsContact CZ2-CA 3.4Å; W179-G203 PolarHBondContact NE1-O 2.94Å; W179-P204 HydrophobicContact CB-CB 4.39Å; W179-P204 HydrophobicContact CD2-CB 4.22Å; W179-P204 HydrophobicContact CG-CB 4.08Å
180R98.3Very high97Very high5 Ų539.9 Ų39.92%0.01924%0.241CC..  trans-166.7154.5-175.264.5-171.175.9-162.8-2.5113.6F143 G145 S154 R178 H183 G196 R198 A199F143-R180 HydrophobicContact CE1-CG 4.18Å; G145-R180 PolarHBondContact N-O 2.92Å; S154-R180 PolarHBondContact O-N 2.85Å; S154-R180 VanDerWaalsContact O-N 3.15Å; R178-R180 VanDerWaalsContact N-NH2 3.1Å; R178-R180 PolarHBondContact O-NE 2.67Å; R178-R180 PolarHBondContact O-NH2 3.2Å; R178-R180 VanDerWaalsContact O-NH2 3.14Å; R180-H183 HydrophobicContact CG-CB 4.09Å; R180-H183 WeakPolarHBondContact CG-ND1 3.44Å; R180-G196 PolarHBondContact NH1-O 2.69Å; R180-R198 CarbonylContact C-O 3.5Å; R180-R198 WeakPolarHBondContact CA-O 3.44Å; R180-R198 VanDerWaalsContact CB-O 3.26Å; R180-R198 WeakPolarHBondContact CB-O 3.09Å; R180-A199 HydrophobicContact CB-CB 4.11Å
181D98.3Very high97.1Very high0 Ų041.9 Ų41.90%025%0.25CS..EExtended strand (participates in β ladder)trans-121.2168166.771.7-8.4000111.6G130 F153 H183 G197 R198G130-D181 CarbonylContact O-C 3.57Å; G130-D181 WeakPolarHBondContact O-CA 3.43Å; F153-D181 HydrophobicContact CD1-CB 4.05Å; F153-D181 HydrophobicContact CE1-CB 4.22Å; F153-D181 WeakPolarHBondContact CE1-OD2 3.46Å; D181-H183 PolarHBondContact O-N 2.98Å; D181-G197 CarbonylContact O-C 3.47Å; D181-G197 WeakPolarHBondContact O-CA 3.06Å; D181-R198 PolarHBondContact N-O 3Å; D181-R198 PolarHBondContact O-N 2.95Å; D181-R198 WeakPolarHBondContact OD1-CB 3.34Å; D181-R198 IonicContact OD1-CZ 3.93Å; D181-R198 IonicContact OD1-NE 3.87Å; D181-R198 PolarHBondContact OD1-NE 2.97Å; D181-R198 IonicContact OD1-NH2 3.63Å; D181-R198 IonicContact OD2-CZ 2.67Å; D181-R198 IonicContact OD2-NE 3.13Å; D181-R198 PolarHBondContact OD2-NE 3.41Å; D181-R198 IonicContact OD2-NH2 3.99Å; D181-R198 PolarHBondContact OD2-NH2 2.94Å
182F98.3Very high97.2Very high13 Ų1336.8 Ų36.86%0.05722%0.216CC..EExtended strand (participates in β ladder)trans5035.1178.8-62.1-68.4000114.2G130 R240 S241G130-F182 PolarHBondContact O-N 3Å; F182-R240 HydrophobicContact CB-CB 3.86Å; F182-R240 HydrophobicContact CB-CG 4.41Å; F182-R240 CarbonylContact O-C 3.6Å; F182-R240 WeakPolarHBondContact O-CA 3.3Å; F182-S241 PolarHBondContact O-N 3.03Å
183H98.8Very high97.3Very high14 Ų1435.7 Ų35.77%0.06521%0.207CC..EExtended strand (participates in β ladder)trans-94.1175.9172.263.5-76.7000110.1S132 F143 R180 D181S132-H183 WeakPolarHBondContact CB-NE2 3.48Å; S132-H183 PolarHBondContact OG-CD2 3.28Å; S132-H183 PolarHBondContact OG-NE2 3.1Å; F143-H183 AromaticContact CD1-CD2 3.79Å; F143-H183 AromaticContact CD1-CE1 3.93Å; F143-H183 AromaticContact CD1-NE2 3.14Å; F143-H183 WeakPolarHBondContact CD1-NE2 3.26Å; F143-H183 AromaticContact CE1-NE2 3.64Å; F143-H183 PolarHBondContact O-CE1 2.66Å; F143-H183 PolarHBondContact O-NE2 3.04Å; R180-H183 HydrophobicContact CG-CB 4.09Å; R180-H183 WeakPolarHBondContact CG-ND1 3.44Å; D181-H183 PolarHBondContact O-N 2.98Å
184S98.6Very high97.4Very high12 Ų1229.3 Ų29.38%0.08418%0.179CC..EExtended strand (participates in β ladder)trans-113.2143.916864.90000111.1V194 F195 H242 A244S184-V194 WeakPolarHBondContact O-CA 3.08Å; S184-F195 PolarHBondContact N-O 3.36Å; S184-F195 PolarHBondContact O-N 3.13Å; S184-F195 PolarHBondContact OG-O 2.86Å; S184-H242 VanDerWaalsContact CB-NE2 3.34Å; S184-H242 WeakPolarHBondContact CB-NE2 3.2Å; S184-H242 PolarHBondContact OG-NE2 3.09Å; S184-A244 VanDerWaalsContact CB-CB 3.41Å; S184-A244 WeakPolarHBondContact OG-CB 3.46Å
185A98.4Very high97.6Very high12 Ų1226.7 Ų26.710%0.09915%0.152CC..EExtended strand (participates in β ladder)trans-119.7135.8160.800000109.3S132 M192 Y193 V194S132-A185 WeakPolarHBondContact OG-CB 3.33Å; A185-M192 HydrophobicContact CB-CG 3.87Å; A185-M192 HydrophobicContact CB-SD 3.92Å; A185-Y193 CarbonylContact C-O 3.58Å; A185-Y193 VanDerWaalsContact CA-O 3.3Å; A185-Y193 WeakPolarHBondContact CA-O 3.29Å; A185-V194 HydrophobicContact CB-CG2 4.13Å
186T98.4Very high97.8Very high14 Ų1421.7 Ų21.79%0.08613%0.125CC..EExtended strand (participates in β ladder)trans-132.4126.1177.7-57.30000109L188 Y193 L251T186-L188 HydrophobicContact CG2-CD2 4.47Å; T186-L188 HydrophobicContact CG2-CG 4.44Å; T186-Y193 PolarHBondContact N-O 2.85Å; T186-Y193 PolarHBondContact O-N 3.14Å; T186-L251 HydrophobicContact CG2-CD1 3.93Å; T186-L251 WeakPolarHBondContact OG1-CD1 3.44Å
187M98.4Very high98Very high32 Ų3219.2 Ų19.216%0.15811%0.109CC..EExtended strand (participates in β ladder)trans-81.7125175.5-169.164.566.600109.5C134 V135 L136 Y141 G189 H191 M192 T221C134-M187 HydrophobicContact CB-CB 4.1Å; V135-M187 WeakPolarHBondContact O-CG 3.34Å; L136-M187 HydrophobicContact CB-CE 4.22Å; L136-M187 HydrophobicContact CB-CG 4.37Å; L136-M187 HydrophobicContact CB-SD 4.46Å; Y141-M187 HydrophobicContact CD2-CE 4Å; Y141-M187 HydrophobicContact CE2-CE 4.3Å; M187-G189 WeakPolarHBondContact CG-O 3.18Å; M187-H191 VanDerWaalsContact SD-O 3.38Å; M187-M192 HydrophobicContact CE-CB 4.02Å; M187-M192 HydrophobicContact SD-CB 4.42Å; M187-T221 HydrophobicContact CE-CG2 3.7Å; M187-T221 HydrophobicContact SD-CG2 4.14Å
188L98.1Very high98.1Very high24 Ų2421 Ų2113%0.12612%0.116CC..EExtended strand (participates in β ladder)trans-129.3114168.9-61.4173.9000108.4T186 S190 H191 Y193 L251 P273T186-L188 HydrophobicContact CG2-CD2 4.47Å; T186-L188 HydrophobicContact CG2-CG 4.44Å; L188-S190 PolarHBondContact O-N 3.47Å; L188-H191 PolarHBondContact N-O 3.42Å; L188-H191 PolarHBondContact O-N 3.09Å; L188-Y193 HydrophobicContact CB-CD2 4.07Å; L188-Y193 HydrophobicContact CB-CE2 3.75Å; L188-Y193 HydrophobicContact CD1-CD2 4.08Å; L188-Y193 HydrophobicContact CD1-CE2 4.13Å; L188-Y193 HydrophobicContact CG-CD2 4.19Å; L188-Y193 HydrophobicContact CG-CE2 4.29Å; L188-L251 HydrophobicContact CD1-CB 4.02Å; L188-P273 HydrophobicContact CD1-CG 3.79Å
189G96.9Very high98.2Very high63 Ų6318.4 Ų18.465%0.64911%0.106SC*.THydrogen-bonded Turntrans61.1-128.9-168.300000110.5L136 M187L136-G189 WeakPolarHBondContact CD1-O 3.43Å; M187-G189 WeakPolarHBondContact CG-O 3.18Å
190S97.4Very high98Very high28 Ų2815.7 Ų15.720%0.19610%0.096CC..THydrogen-bonded Turntrans-94.712.4175.963.50000114.2L188 T221L188-S190 PolarHBondContact O-N 3.47Å; S190-T221 WeakPolarHBondContact O-CB 3.14Å; S190-T221 WeakPolarHBondContact O-CG2 2.97Å; S190-T221 PolarHBondContact O-N 2.81Å; S190-T221 PolarHBondContact O-OG1 2.83Å
191H98.6Very high97.8Very high49 Ų4921.7 Ų21.723%0.22712%0.118CC..EExtended strand (participates in β ladder)trans-114.9129.4-175.1-64.999.6000111.3M187 L188 Y193 V218 F219M187-H191 VanDerWaalsContact SD-O 3.38Å; L188-H191 PolarHBondContact N-O 3.42Å; L188-H191 PolarHBondContact O-N 3.09Å; H191-Y193 HydrophobicContact CB-CD2 4.3Å; H191-Y193 HydrophobicContact CB-CE2 3.5Å; H191-Y193 VanDerWaalsContact CB-CE2 3.5Å; H191-Y193 WeakPolarHBondContact O-CD2 3.42Å; H191-Y193 WeakPolarHBondContact O-CE2 3.3Å; H191-V218 HydrophobicContact CB-CG1 3.9Å; H191-F219 WeakPolarHBondContact CA-O 3.5Å
192M98.8Very high97.6Very high1 Ų129 Ų291%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-92.4117.3172179.517867.200109.6C134 F143 I157 A185 M187 V194 V218 F219 W226C134-M192 VanDerWaalsContact SG-SD 3.69Å; F143-M192 HydrophobicContact CB-CE 4.06Å; F143-M192 HydrophobicContact CB-SD 4.31Å; F143-M192 HydrophobicContact CG-CE 4.31Å; I157-M192 HydrophobicContact CD1-CE 3.66Å; I157-M192 HydrophobicContact CG1-CE 4.18Å; A185-M192 HydrophobicContact CB-CG 3.87Å; A185-M192 HydrophobicContact CB-SD 3.92Å; M187-M192 HydrophobicContact CE-CB 4.02Å; M187-M192 HydrophobicContact SD-CB 4.42Å; M192-V194 HydrophobicContact CE-CG2 4.3Å; M192-V194 HydrophobicContact CG-CG2 4.33Å; M192-V218 WeakPolarHBondContact O-CA 3.37Å; M192-F219 HydrophobicContact CB-CB 4.3Å; M192-F219 HydrophobicContact CB-CD1 4.43Å; M192-F219 HydrophobicContact CE-CB 3.82Å; M192-F219 HydrophobicContact CE-CD1 3.92Å; M192-F219 HydrophobicContact CE-CG 4.05Å; M192-F219 PolarHBondContact N-O 3.19Å; M192-F219 PolarHBondContact O-N 3.49Å; M192-W226 HydrophobicContact CE-CH2 4.36Å
193Y98.5Very high97.4Very high21 Ų2129 Ų298%0.08215%0.154CC..EExtended strand (participates in β ladder)trans-98119.8178.2-65.3-98.5000110.1A185 T186 L188 H191 I216 V218 F271 P273A185-Y193 CarbonylContact C-O 3.58Å; A185-Y193 VanDerWaalsContact CA-O 3.3Å; A185-Y193 WeakPolarHBondContact CA-O 3.29Å; T186-Y193 PolarHBondContact N-O 2.85Å; T186-Y193 PolarHBondContact O-N 3.14Å; L188-Y193 HydrophobicContact CB-CD2 4.07Å; L188-Y193 HydrophobicContact CB-CE2 3.75Å; L188-Y193 HydrophobicContact CD1-CD2 4.08Å; L188-Y193 HydrophobicContact CD1-CE2 4.13Å; L188-Y193 HydrophobicContact CG-CD2 4.19Å; L188-Y193 HydrophobicContact CG-CE2 4.29Å; H191-Y193 HydrophobicContact CB-CD2 4.3Å; H191-Y193 HydrophobicContact CB-CE2 3.5Å; H191-Y193 VanDerWaalsContact CB-CE2 3.5Å; H191-Y193 WeakPolarHBondContact O-CD2 3.42Å; H191-Y193 WeakPolarHBondContact O-CE2 3.3Å; Y193-I216 HydrophobicContact CD1-CG2 4.03Å; Y193-V218 HydrophobicContact CD1-CG1 4.48Å; Y193-V218 HydrophobicContact CD1-CG2 3.69Å; Y193-V218 HydrophobicContact CE1-CG1 4.13Å; Y193-V218 HydrophobicContact CE1-CG2 3.63Å; Y193-F271 HydrophobicContact CD1-CD1 4.41Å; Y193-F271 AromaticContact CD1-CE1 3.87Å; Y193-F271 HydrophobicContact CD1-CE1 3.87Å; Y193-F271 AromaticContact CE1-CE1 3.87Å; Y193-F271 HydrophobicContact CE1-CE1 3.87Å; Y193-P273 HydrophobicContact CE1-CB 3.97Å; Y193-P273 HydrophobicContact CE1-CG 4.3Å; Y193-P273 WeakPolarHBondContact OH-CB 3.45Å
194V98.5Very high97.2Very high0 Ų030.2 Ų30.20%016%0.164CC..EExtended strand (participates in β ladder)trans-107.4126.2-179.7173.20000110.1F143 S184 A185 M192 I216 R217 W226F143-V194 HydrophobicContact CD1-CG1 4.09Å; F143-V194 HydrophobicContact CD1-CG2 3.72Å; F143-V194 HydrophobicContact CE1-CB 4.41Å; F143-V194 HydrophobicContact CE1-CG1 3.64Å; F143-V194 HydrophobicContact CE1-CG2 3.98Å; S184-V194 WeakPolarHBondContact O-CA 3.08Å; A185-V194 HydrophobicContact CB-CG2 4.13Å; M192-V194 HydrophobicContact CE-CG2 4.3Å; M192-V194 HydrophobicContact CG-CG2 4.33Å; V194-I216 WeakPolarHBondContact O-CA 3.42Å; V194-R217 HydrophobicContact CB-CB 4.33Å; V194-R217 PolarHBondContact N-O 3.09Å; V194-R217 PolarHBondContact O-N 2.86Å; V194-W226 HydrophobicContact CB-CH2 4.46Å; V194-W226 HydrophobicContact CG2-CH2 3.92Å; V194-W226 HydrophobicContact CG2-CZ3 4.27Å
195F98.3Very high97Very high0 Ų035.6 Ų35.60%019%0.186CC..EExtended strand (participates in β ladder)trans-133.2149.1177-175.6-97.2000111.6S184 N214 I216 P236 R239 H242 I253 W278S184-F195 PolarHBondContact N-O 3.36Å; S184-F195 PolarHBondContact O-N 3.13Å; S184-F195 PolarHBondContact OG-O 2.86Å; F195-N214 WeakPolarHBondContact CE2-O 3.45Å; F195-I216 HydrophobicContact CB-CD1 3.72Å; F195-I216 HydrophobicContact CD2-CD1 3.95Å; F195-I216 HydrophobicContact CD2-CG1 4.12Å; F195-I216 HydrophobicContact CG-CD1 4.24Å; F195-P236 HydrophobicContact CE1-CG 4.23Å; F195-P236 HydrophobicContact CE2-CG 3.98Å; F195-P236 HydrophobicContact CZ-CB 4.3Å; F195-P236 HydrophobicContact CZ-CG 3.58Å; F195-R239 HydrophobicContact CE1-CG 3.97Å; F195-H242 AromaticContact CD1-CE1 3.87Å; F195-H242 AromaticContact CD1-NE2 3.63Å; F195-H242 PolarHBondContact O-CE1 2.98Å; F195-I253 HydrophobicContact CD1-CD1 3.61Å; F195-I253 HydrophobicContact CD1-CG2 4.12Å; F195-I253 HydrophobicContact CE1-CD1 3.23Å; F195-I253 HydrophobicContact CG-CD1 4.49Å; F195-I253 HydrophobicContact CZ-CD1 3.83Å; F195-W278 HydrophobicContact CD2-CH2 4.36Å; F195-W278 AromaticContact CD2-CZ2 3.64Å; F195-W278 HydrophobicContact CD2-CZ2 3.64Å; F195-W278 AromaticContact CE2-CZ2 3.93Å; F195-W278 HydrophobicContact CE2-CZ2 3.93Å; F195-W278 HydrophobicContact CG-CH2 4.47Å; F195-W278 HydrophobicContact CG-CZ2 4.16Å
196G98.1Very high96.6Very high0 Ų039.7 Ų39.70%020%0.202CC..EExtended strand (participates in β ladder)trans73.7-157.5172.100000113.2R180 C213 R239R180-G196 PolarHBondContact NH1-O 2.69Å; G196-C213 WeakPolarHBondContact CA-O 3.39Å; G196-C213 PolarHBondContact N-O 3.18Å; G196-C213 WeakPolarHBondContact O-CB 3.2Å; G196-R239 CarbonylContact C-O 3.56Å; G196-R239 VanDerWaalsContact CA-O 3.22Å; G196-R239 WeakPolarHBondContact CA-O 3.04Å
197G98.1Very high96.3Very high0 Ų040.7 Ų40.70%021%0.21CC..EExtended strand (participates in β ladder)trans95.3153.7-178.800000113.1D181 Y212 C213 R239D181-G197 CarbonylContact O-C 3.47Å; D181-G197 WeakPolarHBondContact O-CA 3.06Å; G197-Y212 WeakPolarHBondContact O-CA 3.45Å; G197-C213 PolarHBondContact O-N 2.83Å; G197-C213 VanDerWaalsContact O-N 3.08Å; G197-R239 PolarHBondContact N-O 2.81Å
198R97.6Very high95.9Very high39 Ų3946.9 Ų46.915%0.14724%0.244CC..EExtended strand (participates in β ladder)trans-87.2142.4166163.8-175.570.3160.38.3108.6R180 D181 E210 Y212 R240R180-R198 CarbonylContact C-O 3.5Å; R180-R198 WeakPolarHBondContact CA-O 3.44Å; R180-R198 VanDerWaalsContact CB-O 3.26Å; R180-R198 WeakPolarHBondContact CB-O 3.09Å; D181-R198 PolarHBondContact N-O 3Å; D181-R198 PolarHBondContact O-N 2.95Å; D181-R198 WeakPolarHBondContact OD1-CB 3.34Å; D181-R198 IonicContact OD1-CZ 3.93Å; D181-R198 IonicContact OD1-NE 3.87Å; D181-R198 PolarHBondContact OD1-NE 2.97Å; D181-R198 IonicContact OD1-NH2 3.63Å; D181-R198 IonicContact OD2-CZ 2.67Å; D181-R198 IonicContact OD2-NE 3.13Å; D181-R198 PolarHBondContact OD2-NE 3.41Å; D181-R198 IonicContact OD2-NH2 3.99Å; D181-R198 PolarHBondContact OD2-NH2 2.94Å; R198-E210 VanDerWaalsContact CD-CD 3.45Å; R198-E210 WeakPolarHBondContact CD-OE1 3.35Å; R198-E210 IonicContact CZ-OE1 3.17Å; R198-E210 IonicContact NE-OE1 3.37Å; R198-E210 IonicContact NH1-OE1 3.33Å; R198-E210 PolarHBondContact NH1-OE1 3.36Å; R198-Y212 HydrophobicContact CB-CE1 4.15Å; R198-R240 HydrophobicContact CB-CB 4.33Å
199A97.3Very high95.6Very high0 Ų049 Ų490%026%0.255CS..EExtended strand (participates in β ladder)trans-149.2169.2176.400000109R178 W179 R180 E210 I211R178-A199 VanDerWaalsContact NH2-C 3.33Å; W179-A199 WeakPolarHBondContact O-CB 3.34Å; R180-A199 HydrophobicContact CB-CB 4.11Å; A199-E210 CarbonylContact O-C 3.58Å; A199-E210 WeakPolarHBondContact O-CA 3.22Å; A199-I211 HydrophobicContact CB-CG1 4.11Å; A199-I211 PolarHBondContact N-O 2.81Å; A199-I211 PolarHBondContact O-N 3.18Å
200D95.2Very high95.4Very high3 Ų347.9 Ų47.92%0.01623%0.233CC..EExtended strand (participates in β ladder)trans-111.6132.7178.5-176.2-75.6000112.7F153 R178 W179 F202 G203 F205 S207F153-D200 HydrophobicContact CD2-CB 4.29Å; F153-D200 HydrophobicContact CE2-CB 4Å; R178-D200 PolarHBondContact NH1-O 2.87Å; R178-D200 PolarHBondContact NH2-O 2.82Å; W179-D200 PolarHBondContact NE1-O 2.76Å; W179-D200 VanDerWaalsContact NE1-O 3.1Å; D200-F202 VanDerWaalsContact C-N 3.29Å; D200-F202 PolarHBondContact O-N 3.36Å; D200-F202 PolarHBondContact OD1-N 3.08Å; D200-G203 WeakPolarHBondContact CB-O 3.4Å; D200-F205 VanDerWaalsContact CB-O 3.29Å; D200-F205 WeakPolarHBondContact CB-O 3.46Å; D200-S207 VanDerWaalsContact CG-OG 3.28Å; D200-S207 PolarHBondContact OD1-OG 3.16Å; D200-S207 WeakPolarHBondContact OD2-CA 3.44Å; D200-S207 WeakPolarHBondContact OD2-CB 3.12Å; D200-S207 PolarHBondContact OD2-N 2.8Å; D200-S207 PolarHBondContact OD2-OG 2.56Å
201R93.7Very high95.4Very high130 Ų13048.2 Ų48.249%0.49123%0.233SC..SBendtrans-51.6-41.3-173.4-179.2177.7-67-85.4-0.5114.1R178 N209 I211R178-R201 PolarHBondContact NH1-O 2.76Å; R201-N209 HydrophobicContact CB-CB 3.98Å; R201-N209 WeakPolarHBondContact CB-O 3.35Å; R201-N209 PolarHBondContact N-O 2.89Å; R201-I211 HydrophobicContact CB-CG2 4.13Å
202F92.8Very high95.3Very high153 Ų15346.7 Ų46.767%0.67123%0.225SC*.SBendtrans-99.7-19.3-164.3-62.6-58.3000114.3D200 N209D200-F202 VanDerWaalsContact C-N 3.29Å; D200-F202 PolarHBondContact O-N 3.36Å; D200-F202 PolarHBondContact OD1-N 3.08Å; F202-N209 HydrophobicContact CD2-CB 3.96Å; F202-N209 HydrophobicContact CE2-CB 3.78Å; F202-N209 WeakPolarHBondContact CE2-ND2 3.34Å
203G93.9Very high95.1Very high13 Ų1347.5 Ų47.513%0.13423%0.23CC..SBendtrans-178.6-178.7-178.700000112.1W179 D200 F205W179-G203 VanDerWaalsContact CE2-O 3.23Å; W179-G203 VanDerWaalsContact CZ2-CA 3.4Å; W179-G203 PolarHBondContact NE1-O 2.94Å; D200-G203 WeakPolarHBondContact CB-O 3.4Å; G203-F205 PolarHBondContact O-N 3.45Å
204P95.1Very high94.9Very high41 Ų4148.3 Ų48.327%0.26624%0.236SC..SBendtrans-70.3-15.7179.731.8-36.3000112.6C152 F153 W179C152-P204 CarbonylContact C-O 3.59Å; C152-P204 WeakPolarHBondContact CA-O 3.26Å; C152-P204 HydrophobicContact CB-CB 4.11Å; F153-P204 WeakPolarHBondContact CB-O 3.34Å; F153-P204 WeakPolarHBondContact CD2-O 3.32Å; F153-P204 PolarHBondContact N-O 3.06Å; F153-P204 WeakPolarHBondContact O-CB 3.4Å; W179-P204 HydrophobicContact CB-CB 4.39Å; W179-P204 HydrophobicContact CD2-CB 4.22Å; W179-P204 HydrophobicContact CG-CB 4.08Å
205F95.7Very high94.7Very high124 Ų12456 Ų5654%0.54427%0.265SS..BIsolated β-bridgetrans-81.6145.9179.2-54.3-76.1000111.5D151 C152 D200 G203D151-F205 WeakPolarHBondContact O-CD1 3.44Å; C152-F205 HydrophobicContact CB-CD1 3.87Å; C152-F205 HydrophobicContact CB-CE1 3.85Å; D200-F205 VanDerWaalsContact CB-O 3.29Å; D200-F205 WeakPolarHBondContact CB-O 3.46Å; G203-F205 PolarHBondContact O-N 3.45Å
206H89.5Confident94.6Very high98 Ų9856.2 Ų56.245%0.45427%0.266SS..  trans-67.1132.9177.8-179.562.1000111.1F153 E210F153-H206 HydrophobicContact CE2-CB 4.33Å; F153-H206 HydrophobicContact CZ-CB 4.38Å; H206-E210 IonicContact CE1-OE1 3.93Å; H206-E210 PolarHBondContact CE1-OE1 3.02Å; H206-E210 IonicContact ND1-OE1 3.93Å
207S91.4Very high94.5Very high35 Ų3558.9 Ų58.925%0.24528%0.276CS..  trans-141.4178.9169.988.80000110.5D200 N209D200-S207 VanDerWaalsContact CG-OG 3.28Å; D200-S207 PolarHBondContact OD1-OG 3.16Å; D200-S207 WeakPolarHBondContact OD2-CA 3.44Å; D200-S207 WeakPolarHBondContact OD2-CB 3.12Å; D200-S207 PolarHBondContact OD2-N 2.8Å; D200-S207 PolarHBondContact OD2-OG 2.56Å; S207-N209 PolarHBondContact O-N 3.34Å; S207-N209 PolarHBondContact OG-N 3.1Å; S207-N209 VanDerWaalsContact OG-N 3.1Å; S207-N209 PolarHBondContact OG-ND2 2.85Å
208N89.4Confident94.5Very high162 Ų16259 Ų5987%0.86628%0.277SS*.SBendtrans-71.28.2174.5-63.8-20.1000113.8
209N92.9Very high94.6Very high69 Ų6957.2 Ų57.237%0.36927%0.27SS..  trans-111.244-177.5-64-89000112R201 F202 S207R201-N209 HydrophobicContact CB-CB 3.98Å; R201-N209 WeakPolarHBondContact CB-O 3.35Å; R201-N209 PolarHBondContact N-O 2.89Å; F202-N209 HydrophobicContact CD2-CB 3.96Å; F202-N209 HydrophobicContact CE2-CB 3.78Å; F202-N209 WeakPolarHBondContact CE2-ND2 3.34Å; S207-N209 PolarHBondContact O-N 3.34Å; S207-N209 PolarHBondContact OG-N 3.1Å; S207-N209 VanDerWaalsContact OG-N 3.1Å; S207-N209 PolarHBondContact OG-ND2 2.85Å
210E93.7Very high94.6Very high40 Ų4058.1 Ų58.119%0.18728%0.275CS..EExtended strand (participates in β ladder)trans-54.9143.7175.4-61.2-168.3154.100111.4R198 A199 H206 Y212 R260R198-E210 VanDerWaalsContact CD-CD 3.45Å; R198-E210 WeakPolarHBondContact CD-OE1 3.35Å; R198-E210 IonicContact CZ-OE1 3.17Å; R198-E210 IonicContact NE-OE1 3.37Å; R198-E210 IonicContact NH1-OE1 3.33Å; R198-E210 PolarHBondContact NH1-OE1 3.36Å; A199-E210 CarbonylContact O-C 3.58Å; A199-E210 WeakPolarHBondContact O-CA 3.22Å; H206-E210 IonicContact CE1-OE1 3.93Å; H206-E210 PolarHBondContact CE1-OE1 3.02Å; H206-E210 IonicContact ND1-OE1 3.93Å; E210-Y212 HydrophobicContact CB-CE2 4.34Å; E210-Y212 PolarHBondContact OE2-OH 2.94Å; E210-R260 WeakPolarHBondContact O-CD 3.49Å
211I95.9Very high94.8Very high35 Ų3558.6 Ų58.618%0.17928%0.278CS..EExtended strand (participates in β ladder)trans-131.7153.2169.871.2169.5000109.8A199 R201A199-I211 HydrophobicContact CB-CG1 4.11Å; A199-I211 PolarHBondContact N-O 2.81Å; A199-I211 PolarHBondContact O-N 3.18Å; R201-I211 HydrophobicContact CB-CG2 4.13Å
212Y97.1Very high94.9Very high17 Ų1762.2 Ų62.27%0.06729%0.292CS..EExtended strand (participates in β ladder)trans-115.1113.2-179.8-66.9-94.5000108G197 R198 E210 R240 N258 A259 R260G197-Y212 WeakPolarHBondContact O-CA 3.45Å; R198-Y212 HydrophobicContact CB-CE1 4.15Å; E210-Y212 HydrophobicContact CB-CE2 4.34Å; E210-Y212 PolarHBondContact OE2-OH 2.94Å; Y212-R240 HydrophobicContact CD1-CB 4.26Å; Y212-R240 HydrophobicContact CD1-CG 4.42Å; Y212-R240 HydrophobicContact CE1-CB 4.11Å; Y212-R240 HydrophobicContact CE1-CG 3.83Å; Y212-N258 WeakPolarHBondContact CD2-OD1 3.28Å; Y212-N258 HydrophobicContact CG-CB 4.48Å; Y212-A259 HydrophobicContact CE2-CB 4.2Å; Y212-A259 WeakPolarHBondContact OH-CB 3.34Å; Y212-R260 HydrophobicContact CD2-CG 4.21Å; Y212-R260 HydrophobicContact CE2-CG 4.04Å
213C94.6Very high95.1Very high17 Ų1758.2 Ų58.212%0.11528%0.28CS..  trans-72134.6-174.1-72.40000110.8G196 G197G196-C213 WeakPolarHBondContact CA-O 3.39Å; G196-C213 PolarHBondContact N-O 3.18Å; G196-C213 WeakPolarHBondContact O-CB 3.2Å; G197-C213 PolarHBondContact O-N 2.83Å; G197-C213 VanDerWaalsContact O-N 3.08Å
214N94.4Very high95.3Very high39 Ų3960.1 Ų60.121%0.20929%0.286CS..  trans-127.26-178.150.313000113.6F195 V234 P236F195-N214 WeakPolarHBondContact CE2-O 3.45Å; N214-V234 HydrophobicContact CB-CG1 4.18Å; N214-V234 WeakPolarHBondContact ND2-CG1 3.3Å; N214-V234 WeakPolarHBondContact OD1-CG1 3.36Å; N214-P236 WeakPolarHBondContact CB-O 3.28Å
215R94.1Very high95.5Very high161 Ų16158.9 Ų58.961%0.60828%0.279SS*.SBendtrans-100.2135.6173.9-65-173.4178.7-163.9-0.6110.1
216I95.4Very high95.6Very high5 Ų553.3 Ų53.33%0.02625%0.254CS..  trans-66.4133.8168.2-76.5-75.3000108.9Y193 V194 F195 V218 L251 F271 F276 W278Y193-I216 HydrophobicContact CD1-CG2 4.03Å; V194-I216 WeakPolarHBondContact O-CA 3.42Å; F195-I216 HydrophobicContact CB-CD1 3.72Å; F195-I216 HydrophobicContact CD2-CD1 3.95Å; F195-I216 HydrophobicContact CD2-CG1 4.12Å; F195-I216 HydrophobicContact CG-CD1 4.24Å; I216-V218 HydrophobicContact CG2-CG2 3.83Å; I216-L251 HydrophobicContact CD1-CD2 3.64Å; I216-F271 HydrophobicContact CB-CZ 4.42Å; I216-F271 HydrophobicContact CG1-CD2 4.28Å; I216-F271 HydrophobicContact CG1-CE2 4.19Å; I216-F271 HydrophobicContact CG1-CG 4.48Å; I216-F271 HydrophobicContact CG1-CZ 4.31Å; I216-F271 HydrophobicContact CG2-CE1 4.22Å; I216-F271 HydrophobicContact CG2-CZ 4.05Å; I216-F276 HydrophobicContact CB-CZ 4.35Å; I216-F276 HydrophobicContact CG2-CE2 4.19Å; I216-F276 HydrophobicContact CG2-CZ 3.97Å; I216-W278 HydrophobicContact CD1-CH2 4.41Å; I216-W278 HydrophobicContact CD1-CZ2 3.66Å; I216-W278 HydrophobicContact CG1-CZ2 3.57Å
217R96.9Very high96Very high55 Ų5551.5 Ų51.521%0.20825%0.248CC..EExtended strand (participates in β ladder)trans-117.4138.9168.6-58-59-57.1-82.6-13.3108.3N175 P176 A177 V194 W226N175-R217 PolarHBondContact O-NH2 2.61Å; P176-R217 PolarHBondContact O-NH1 2.87Å; P176-R217 PolarHBondContact O-NH2 3.28Å; P176-R217 VanDerWaalsContact O-NH2 3.1Å; A177-R217 HydrophobicContact CB-CB 3.97Å; A177-R217 HydrophobicContact CB-CG 3.92Å; V194-R217 HydrophobicContact CB-CB 4.33Å; V194-R217 PolarHBondContact N-O 3.09Å; V194-R217 PolarHBondContact O-N 2.86Å; R217-W226 HydrophobicContact CB-CE3 3.96Å; R217-W226 HydrophobicContact CB-CZ3 3.53Å
218V98.3Very high96.1Very high4 Ų456.4 Ų56.42%0.02427%0.271CS..EExtended strand (participates in β ladder)trans-119.6126.6-177.1-171.70000109.2H191 M192 Y193 I216 W226 L227 F276H191-V218 HydrophobicContact CB-CG1 3.9Å; M192-V218 WeakPolarHBondContact O-CA 3.37Å; Y193-V218 HydrophobicContact CD1-CG1 4.48Å; Y193-V218 HydrophobicContact CD1-CG2 3.69Å; Y193-V218 HydrophobicContact CE1-CG1 4.13Å; Y193-V218 HydrophobicContact CE1-CG2 3.63Å; I216-V218 HydrophobicContact CG2-CG2 3.83Å; V218-W226 WeakPolarHBondContact O-CA 3.38Å; V218-L227 HydrophobicContact CB-CB 4.38Å; V218-L227 HydrophobicContact CB-CD1 4.41Å; V218-L227 HydrophobicContact CG1-CD1 3.93Å; V218-L227 HydrophobicContact CG1-CG 4.45Å; V218-L227 PolarHBondContact O-N 3.44Å; V218-F276 HydrophobicContact CG2-CE2 4.1Å
219F98.7Very high96.2Very high0 Ų050.7 Ų50.70%024%0.243CC..EExtended strand (participates in β ladder)trans-110.2123.4172.2175.1-98.8000109.1I157 I170 T172 H191 M192 T221 E224 W226I157-F219 HydrophobicContact CD1-CB 4.28Å; I157-F219 HydrophobicContact CD1-CD1 3.79Å; I157-F219 HydrophobicContact CD1-CD2 3.41Å; I157-F219 VanDerWaalsContact CD1-CD2 3.41Å; I157-F219 HydrophobicContact CD1-CE1 3.88Å; I157-F219 HydrophobicContact CD1-CE2 3.53Å; I157-F219 HydrophobicContact CD1-CG 3.54Å; I157-F219 HydrophobicContact CD1-CZ 3.76Å; I170-F219 HydrophobicContact CD1-CE1 4.29Å; I170-F219 HydrophobicContact CD1-CZ 4.07Å; I170-F219 HydrophobicContact CG2-CZ 4.1Å; T172-F219 HydrophobicContact CG2-CE2 3.84Å; T172-F219 HydrophobicContact CG2-CZ 4.5Å; H191-F219 WeakPolarHBondContact CA-O 3.5Å; M192-F219 HydrophobicContact CB-CB 4.3Å; M192-F219 HydrophobicContact CB-CD1 4.43Å; M192-F219 HydrophobicContact CE-CB 3.82Å; M192-F219 HydrophobicContact CE-CD1 3.92Å; M192-F219 HydrophobicContact CE-CG 4.05Å; M192-F219 PolarHBondContact N-O 3.19Å; M192-F219 PolarHBondContact O-N 3.49Å; F219-T221 HydrophobicContact CD1-CG2 4.27Å; F219-T221 HydrophobicContact CE1-CG2 4.22Å; F219-E224 VanDerWaalsContact CE2-C 3.42Å; F219-E224 HydrophobicContact CZ-CB 4.22Å; F219-W226 HydrophobicContact CB-CD2 4.05Å; F219-W226 HydrophobicContact CB-CE3 3.87Å; F219-W226 HydrophobicContact CB-CH2 4.14Å; F219-W226 HydrophobicContact CB-CZ2 4.34Å; F219-W226 HydrophobicContact CB-CZ3 3.89Å; F219-W226 AromaticContact CD2-CD1 3.99Å; F219-W226 HydrophobicContact CD2-CD2 4.13Å; F219-W226 HydrophobicContact CD2-CG 4.16Å; F219-W226 AromaticContact CD2-NE1 3.94Å
220D98.4Very high96.1Very high20 Ų2050.9 Ų50.911%0.10725%0.249CC..EExtended strand (participates in β ladder)trans-87.2117.4172.9-177.30.6000109.7R222 T223 E224 A225 L227D220-R222 PolarHBondContact O-N 3.1Å; D220-R222 WeakPolarHBondContact OD1-CB 3.19Å; D220-R222 PolarHBondContact OD1-N 2.82Å; D220-T223 PolarHBondContact OD2-OG1 3.43Å; D220-E224 VanDerWaalsContact O-CA 3.3Å; D220-E224 WeakPolarHBondContact O-CA 3.24Å; D220-E224 PolarHBondContact O-N 3.47Å; D220-A225 PolarHBondContact N-O 2.84Å; D220-A225 PolarHBondContact O-N 3.48Å; D220-L227 HydrophobicContact CB-CD1 4.33Å; D220-L227 HydrophobicContact CB-CD2 3.99Å; D220-L227 HydrophobicContact CB-CG 4.23Å
221T98Very high95.6Very high12 Ų1255.3 Ų55.37%0.07428%0.281CS..THydrogen-bonded Turntrans-68.6-21.5179.859.50000113.3L136 Y141 M187 S190 F219L136-T221 HydrophobicContact CD2-CG2 4.36Å; L136-T221 WeakPolarHBondContact CD2-OG1 3.4Å; Y141-T221 HydrophobicContact CE1-CG2 3.97Å; Y141-T221 HydrophobicContact CE2-CG2 4.24Å; M187-T221 HydrophobicContact CE-CG2 3.7Å; M187-T221 HydrophobicContact SD-CG2 4.14Å; S190-T221 WeakPolarHBondContact O-CB 3.14Å; S190-T221 WeakPolarHBondContact O-CG2 2.97Å; S190-T221 PolarHBondContact O-N 2.81Å; S190-T221 PolarHBondContact O-OG1 2.83Å; F219-T221 HydrophobicContact CD1-CG2 4.27Å; F219-T221 HydrophobicContact CE1-CG2 4.22Å
222R97.1Very high94.7Very high206 Ų20655.2 Ų55.278%0.77728%0.282SS*.THydrogen-bonded Turntrans-80-43.4-178.1-65.3175.956.8174.3-4.1112.2D220D220-R222 PolarHBondContact O-N 3.1Å; D220-R222 WeakPolarHBondContact OD1-CB 3.19Å; D220-R222 PolarHBondContact OD1-N 2.82Å
223T97.4Very high94Very high70 Ų7058.9 Ų58.943%0.42931%0.307SS..THydrogen-bonded Turntrans-92.6-8.3179.962.40000112.7D220 A225D220-T223 PolarHBondContact OD2-OG1 3.43Å; T223-A225 PolarHBondContact O-N 2.92Å; T223-A225 WeakPolarHBondContact OG1-CB 3.46Å
224E97.8Very high93.4Very high53 Ų5361.2 Ų61.225%0.24832%0.321CS..THydrogen-bonded Turntrans53.341.9-172.8-63.1-174.3158.700111.9K159 I170 T172 K173 F219 D220K159-E224 IonicContact NZ-OE1 3.93Å; K159-E224 PolarHBondContact NZ-OE1 2.97Å; I170-E224 HydrophobicContact CG2-CB 3.69Å; I170-E224 HydrophobicContact CG2-CG 3.9Å; T172-E224 WeakPolarHBondContact CA-O 3.44Å; K173-E224 PolarHBondContact N-O 3.23Å; F219-E224 VanDerWaalsContact CE2-C 3.42Å; F219-E224 HydrophobicContact CZ-CB 4.22Å; D220-E224 VanDerWaalsContact O-CA 3.3Å; D220-E224 WeakPolarHBondContact O-CA 3.24Å; D220-E224 PolarHBondContact O-N 3.47Å
225A98.1Very high93.1Very high15 Ų1563.5 Ų63.512%0.12433%0.333CS..EExtended strand (participates in β ladder)trans-128.1141.1-173.800000111.5K173 D220 T223K173-A225 HydrophobicContact CB-CB 3.88Å; K173-A225 WeakPolarHBondContact O-CA 3.17Å; D220-A225 PolarHBondContact N-O 2.84Å; D220-A225 PolarHBondContact O-N 3.48Å; T223-A225 PolarHBondContact O-N 2.92Å; T223-A225 WeakPolarHBondContact OG1-CB 3.46Å
226W98.5Very high93.1Very high6 Ų655.9 Ų55.92%0.02330%0.304CS..EExtended strand (participates in β ladder)trans-75128.6163.7-70.492.9000109.6F143 I157 K173 N175 P176 A177 M192 V194 R217 V218 F219F143-W226 HydrophobicContact CD2-CH2 4.35Å; F143-W226 AromaticContact CD2-CZ2 3.97Å; F143-W226 HydrophobicContact CD2-CZ2 3.97Å; F143-W226 HydrophobicContact CE1-CH2 4.32Å; F143-W226 AromaticContact CE2-CH2 3.97Å; F143-W226 HydrophobicContact CE2-CH2 3.97Å; F143-W226 AromaticContact CE2-CZ2 3.54Å; F143-W226 HydrophobicContact CE2-CZ2 3.54Å; F143-W226 AromaticContact CZ-CH2 4Å; F143-W226 HydrophobicContact CZ-CH2 4Å; F143-W226 AromaticContact CZ-CZ2 3.99Å; F143-W226 HydrophobicContact CZ-CZ2 3.99Å; I157-W226 HydrophobicContact CD1-CZ2 3.74Å; I157-W226 HydrophobicContact CG1-CZ2 4.35Å; K173-W226 PolarHBondContact O-N 3Å; N175-W226 WeakPolarHBondContact O-CB 3.5Å; P176-W226 VanDerWaalsContact CA-CD1 3.43Å; P176-W226 HydrophobicContact CB-CG 4.5Å; A177-W226 HydrophobicContact CB-CE3 4.18Å; A177-W226 HydrophobicContact CB-CH2 3.31Å; A177-W226 HydrophobicContact CB-CZ2 3.66Å; A177-W226 HydrophobicContact CB-CZ3 3.61Å; M192-W226 HydrophobicContact CE-CH2 4.36Å; V194-W226 HydrophobicContact CB-CH2 4.46Å; V194-W226 HydrophobicContact CG2-CH2 3.92Å; V194-W226 HydrophobicContact CG2-CZ3 4.27Å; R217-W226 HydrophobicContact CB-CE3 3.96Å; R217-W226 HydrophobicContact CB-CZ3 3.53Å; V218-W226 WeakPolarHBondContact O-CA 3.38Å; F219-W226 HydrophobicContact CB-CD2 4.05Å; F219-W226 HydrophobicContact CB-CE3 3.87Å; F219-W226 HydrophobicContact CB-CH2 4.14Å; F219-W226 HydrophobicContact CB-CZ2 4.34Å; F219-W226 HydrophobicContact CB-CZ3 3.89Å; F219-W226 AromaticContact CD2-CD1 3.99Å; F219-W226 HydrophobicContact CD2-CD2 4.13Å; F219-W226 HydrophobicContact CD2-CG 4.16Å; F219-W226 AromaticContact CD2-NE1 3.94Å
227L97.4Very high93.2Very high61 Ų6159.1 Ų59.132%0.31932%0.319SS..EExtended strand (participates in β ladder)trans-84.7142.7-178.4-55.2-175.3000111.1V218 D220 C229V218-L227 HydrophobicContact CB-CB 4.38Å; V218-L227 HydrophobicContact CB-CD1 4.41Å; V218-L227 HydrophobicContact CG1-CD1 3.93Å; V218-L227 HydrophobicContact CG1-CG 4.45Å; V218-L227 PolarHBondContact O-N 3.44Å; D220-L227 HydrophobicContact CB-CD1 4.33Å; D220-L227 HydrophobicContact CB-CD2 3.99Å; D220-L227 HydrophobicContact CB-CG 4.23Å; L227-C229 PolarHBondContact O-N 2.91Å; L227-C229 PolarHBondContact O-SG 2.88Å
228D94.8Very high93.2Very high137 Ų13756.5 Ų56.573%0.73331%0.309SS*.PPolyproline II helixtrans-71.5117.6166.7-70.3-40.2000109.1
229C91Very high93.2Very high42 Ų4256.3 Ų56.328%0.28431%0.308SS..PPolyproline II helixtrans-95.9140.3-173.9-67.60000110.3L227 F276L227-C229 PolarHBondContact O-N 2.91Å; L227-C229 PolarHBondContact O-SG 2.88Å; C229-F276 HydrophobicContact CB-CE1 3.8Å; C229-F276 HydrophobicContact CB-CE2 4.19Å; C229-F276 HydrophobicContact CB-CZ 3.4Å; C229-F276 VanDerWaalsContact CB-CZ 3.4Å
230P89.6Confident93.2Very high74 Ų7457 Ų5748%0.48131%0.311SS..PPolyproline II helixtrans-54.3148.5172-24.132.5000111.9T232 F276P230-T232 PolarHBondContact O-N 2.8Å; P230-F276 HydrophobicContact CB-CD1 3.99Å; P230-F276 HydrophobicContact CG-CB 4.41Å; P230-F276 HydrophobicContact CG-CD1 4.04Å; P230-F276 HydrophobicContact CG-CG 4.16Å; P230-F276 WeakPolarHBondContact O-CE1 3.13Å
231P83.4Confident93.2Very high133 Ų13356.5 Ų56.586%0.86431%0.309SS*.PPolyproline II helixtrans-64.3123.3171.826.6-32000109.7
232T78.4Confident93.2Very high32 Ų3256.6 Ų56.620%0.19631%0.309CS..  trans-112.7158.6174.260.40000111.1P230 V234 F276P230-T232 PolarHBondContact O-N 2.8Å; T232-V234 PolarHBondContact O-N 2.91Å; T232-F276 HydrophobicContact CG2-CD1 3.13Å; T232-F276 HydrophobicContact CG2-CE1 3.39Å; T232-F276 HydrophobicContact CG2-CG 4.28Å; T232-F276 WeakPolarHBondContact CG2-O 3.45Å
233P81.1Confident93.3Very high94 Ų9447.2 Ų47.261%0.6127%0.274SS*.  trans-48.9142.8160.1-24.734.5000110.5L235P233-L235 PolarHBondContact O-N 2.8Å
234V81.6Confident93.3Very high67 Ų6745 Ų4541%0.40626%0.263SS..  trans-84.457.2-177.4-165.80000109.5N214 T232N214-V234 HydrophobicContact CB-CG1 4.18Å; N214-V234 WeakPolarHBondContact ND2-CG1 3.3Å; N214-V234 WeakPolarHBondContact OD1-CG1 3.36Å; T232-V234 PolarHBondContact O-N 2.91Å
235L88Confident93.3Very high87 Ų8743.1 Ų43.146%0.45525%0.254SS..  trans-134.8141.7176-68.5173.8000107.5P233 W269 W278P233-L235 PolarHBondContact O-N 2.8Å; L235-W269 HydrophobicContact CB-CH2 4.11Å; L235-W269 HydrophobicContact CB-CZ3 4.25Å; L235-W269 HydrophobicContact CD1-CH2 4.39Å; L235-W278 VanDerWaalsContact O-CG 3.26Å
236P95.9Very high93.3Very high0 Ų043.7 Ų43.70%026%0.261CS..SBendcis-71.8163.11.618.5-22.2000114.9F195 N214 I253 W269 W278F195-P236 HydrophobicContact CE1-CG 4.23Å; F195-P236 HydrophobicContact CE2-CG 3.98Å; F195-P236 HydrophobicContact CZ-CB 4.3Å; F195-P236 HydrophobicContact CZ-CG 3.58Å; N214-P236 WeakPolarHBondContact CB-O 3.28Å; P236-I253 HydrophobicContact CB-CD1 4.15Å; P236-I253 HydrophobicContact CG-CD1 3.36Å; P236-I253 HydrophobicContact CG-CG1 4.3Å; P236-W269 HydrophobicContact CB-CD2 3.74Å; P236-W269 HydrophobicContact CB-CE3 4.38Å; P236-W269 HydrophobicContact CB-CG 3.77Å; P236-W269 HydrophobicContact CB-CZ2 4.28Å; P236-W269 HydrophobicContact CG-CB 4.08Å; P236-W269 HydrophobicContact CG-CD2 4.05Å; P236-W269 HydrophobicContact CG-CG 3.84Å; P236-W278 VanDerWaalsContact CD-CE2 3.41Å; P236-W278 VanDerWaalsContact CD-CG 3.49Å; P236-W278 HydrophobicContact CG-CD2 4.11Å; P236-W278 HydrophobicContact CG-CE3 4.13Å; P236-W278 HydrophobicContact CG-CH2 4.31Å; P236-W278 HydrophobicContact CG-CZ2 4.26Å; P236-W278 HydrophobicContact CG-CZ3 4.24Å
237E97.3Very high93.2Very high73 Ų7344.6 Ų44.634%0.34127%0.265SS..PPolyproline II helixtrans-53.5145.5175.3-170.955.5-113.100112R239 L261 F265E237-R239 PolarHBondContact O-NE 3.11Å; E237-L261 HydrophobicContact CG-CD1 3.54Å; E237-F265 HydrophobicContact CB-CE1 4.07Å; E237-F265 HydrophobicContact CB-CZ 3.98Å; E237-F265 HydrophobicContact CG-CE1 4.22Å; E237-F265 HydrophobicContact CG-CZ 3.77Å
238G97.3Very high93.1Very high0 Ų047.6 Ų47.60%028%0.281CS..PPolyproline II helixtrans-63.7138.2-178.700000110.7N258G238-N258 WeakPolarHBondContact O-CB 3.39Å; G238-N258 PolarHBondContact O-ND2 3.03Å
239R98.3Very high93.2Very high0 Ų043.4 Ų43.40%027%0.271CS..  trans-158.7156-173.961.3-170.272.5-164.71112F195 G196 G197 E237 H242 G255 Y257 F265 D267F195-R239 HydrophobicContact CE1-CG 3.97Å; G196-R239 CarbonylContact C-O 3.56Å; G196-R239 VanDerWaalsContact CA-O 3.22Å; G196-R239 WeakPolarHBondContact CA-O 3.04Å; G197-R239 PolarHBondContact N-O 2.81Å; E237-R239 PolarHBondContact O-NE 3.11Å; R239-H242 HydrophobicContact CG-CB 4.21Å; R239-G255 WeakPolarHBondContact CD-O 3.32Å; R239-G255 PolarHBondContact NH1-O 3.3Å; R239-Y257 WeakPolarHBondContact CA-O 3.13Å; R239-F265 HydrophobicContact CB-CD2 4.04Å; R239-F265 HydrophobicContact CB-CE2 3.86Å; R239-F265 VanDerWaalsContact NH1-CB 3.32Å; R239-D267 IonicContact CZ-OD1 2.74Å; R239-D267 IonicContact CZ-OD2 2.88Å; R239-D267 IonicContact NH1-OD1 2.89Å; R239-D267 PolarHBondContact NH1-OD1 3.14Å; R239-D267 IonicContact NH1-OD2 3.69Å; R239-D267 IonicContact NH2-OD1 3.74Å; R239-D267 PolarHBondContact NH2-OD1 3.18Å; R239-D267 IonicContact NH2-OD2 3.7Å; R239-D267 PolarHBondContact NH2-OD2 3.08Å
240R98.1Very high93.5Very high15 Ų1542.9 Ų42.96%0.05726%0.264CS..BIsolated β-bridgetrans-115.9163.2169.875.4177170.6120.8-3.7111F182 R198 Y212 H242 G256 Y257 E320F182-R240 HydrophobicContact CB-CB 3.86Å; F182-R240 HydrophobicContact CB-CG 4.41Å; F182-R240 CarbonylContact O-C 3.6Å; F182-R240 WeakPolarHBondContact O-CA 3.3Å; R198-R240 HydrophobicContact CB-CB 4.33Å; Y212-R240 HydrophobicContact CD1-CB 4.26Å; Y212-R240 HydrophobicContact CD1-CG 4.42Å; Y212-R240 HydrophobicContact CE1-CB 4.11Å; Y212-R240 HydrophobicContact CE1-CG 3.83Å; R240-H242 PolarHBondContact O-N 2.89Å; R240-H242 VanDerWaalsContact O-N 3.1Å; R240-G256 CarbonylContact O-C 3.55Å; R240-G256 VanDerWaalsContact O-CA 3.28Å; R240-G256 WeakPolarHBondContact O-CA 3.39Å; R240-Y257 PolarHBondContact N-O 2.81Å; R240-Y257 PolarHBondContact O-N 3Å; R240-E320 IonicContact NH2-OE1 3.8Å
241S98.1Very high93.9Very high9 Ų939.4 Ų39.46%0.06324%0.241CC..SBendtrans54.430.3174-54.40000113.5F182 R293F182-S241 PolarHBondContact O-N 3.03Å; S241-R293 VanDerWaalsContact CB-CG 3.49Å; S241-R293 PolarHBondContact O-N 3.17Å
242H98.6Very high94.7Very high15 Ų1533.7 Ų33.77%0.06920%0.203CC..  trans-80.1162.6165.762.6-75.3000109.5S184 F195 R239 R240 F254 G255S184-H242 VanDerWaalsContact CB-NE2 3.34Å; S184-H242 WeakPolarHBondContact CB-NE2 3.2Å; S184-H242 PolarHBondContact OG-NE2 3.09Å; F195-H242 AromaticContact CD1-CE1 3.87Å; F195-H242 AromaticContact CD1-NE2 3.63Å; F195-H242 PolarHBondContact O-CE1 2.98Å; R239-H242 HydrophobicContact CG-CB 4.21Å; R240-H242 PolarHBondContact O-N 2.89Å; R240-H242 VanDerWaalsContact O-N 3.1Å; H242-F254 WeakPolarHBondContact CB-O 3.42Å; H242-G255 VanDerWaalsContact CB-O 3.27Å; H242-G255 WeakPolarHBondContact CB-O 3.22Å
243S98.1Very high95.6Very high8 Ų832.2 Ų32.26%0.05619%0.193CC..EExtended strand (participates in β ladder)trans-96149169.6-39.60000109.7I253 F254 Q294 C296S243-I253 CarbonylContact O-C 3.59Å; S243-I253 VanDerWaalsContact O-CA 3.26Å; S243-I253 WeakPolarHBondContact O-CA 3.41Å; S243-F254 PolarHBondContact N-O 3.36Å; S243-F254 PolarHBondContact O-N 3.4Å; S243-Q294 VanDerWaalsContact OG-CG 3.31Å; S243-Q294 WeakPolarHBondContact OG-CG 3.17Å; S243-Q294 PolarHBondContact OG-NE2 2.78Å; S243-Q294 PolarHBondContact OG-O 3.39Å; S243-C296 WeakPolarHBondContact CB-SG 3.2Å
244A98.3Very high96.5Very high24 Ų2428 Ų2820%0.19817%0.166CC..EExtended strand (participates in β ladder)trans-139.3148176.200000111.1S184 L251 Y252 I253S184-A244 VanDerWaalsContact CB-CB 3.41Å; S184-A244 WeakPolarHBondContact OG-CB 3.46Å; A244-L251 HydrophobicContact CB-CD1 4.2Å; A244-Y252 CarbonylContact C-O 3.59Å; A244-Y252 WeakPolarHBondContact CA-O 3.35Å; A244-I253 HydrophobicContact CB-CG2 3.92Å
245F97.8Very high97.3Very high14 Ų1424.8 Ų24.86%0.06115%0.146CC..EExtended strand (participates in β ladder)trans-155.3152.5-179.659.8-90000111.3Y252 L268 C296 I298 I303 F334F245-Y252 HydrophobicContact CD2-CD2 4.26Å; F245-Y252 HydrophobicContact CD2-CG 4.29Å; F245-Y252 HydrophobicContact CE2-CD1 4.28Å; F245-Y252 AromaticContact CE2-CD2 3.78Å; F245-Y252 HydrophobicContact CE2-CD2 3.78Å; F245-Y252 AromaticContact CE2-CG 3.57Å; F245-Y252 HydrophobicContact CE2-CG 3.57Å; F245-Y252 HydrophobicContact CZ-CD1 4.19Å; F245-Y252 HydrophobicContact CZ-CD2 4.43Å; F245-Y252 AromaticContact CZ-CG 3.75Å; F245-Y252 HydrophobicContact CZ-CG 3.75Å; F245-Y252 PolarHBondContact N-O 2.88Å; F245-Y252 PolarHBondContact O-N 3.37Å; F245-L268 HydrophobicContact CZ-CD1 4.35Å; F245-C296 HydrophobicContact CD1-CB 4.46Å; F245-C296 VanDerWaalsContact CD1-SG 3.55Å; F245-I298 HydrophobicContact CB-CD1 3.97Å; F245-I298 HydrophobicContact CB-CG1 4.27Å; F245-I298 HydrophobicContact CD2-CD1 4Å; F245-I298 HydrophobicContact CD2-CG1 4.14Å; F245-I298 HydrophobicContact CG-CD1 4.4Å; F245-I298 HydrophobicContact CG-CG1 4.46Å; F245-I303 HydrophobicContact CD1-CD1 4.29Å; F245-I303 HydrophobicContact CD2-CD1 3.45Å; F245-I303 VanDerWaalsContact CD2-CD1 3.45Å; F245-I303 HydrophobicContact CD2-CG1 4.29Å; F245-I303 HydrophobicContact CE1-CD1 4.18Å; F245-I303 HydrophobicContact CE1-CG1 4.13Å; F245-I303 HydrophobicContact CE1-CG2 4.3Å; F245-I303 HydrophobicContact CE2-CD1 3.32Å; F245-I303 HydrophobicContact CE2-CG1 3.69Å; F245-I303 HydrophobicContact CG-CD1 3.94Å; F245-I303 HydrophobicContact CZ-CD1 3.71Å; F245-I303 HydrophobicContact CZ-CG1 3.59Å; F245-F334 HydrophobicContact CE2-CE2 4.06Å; F245-F334 AromaticContact CE2-CZ 3.87Å; F245-F334 HydrophobicContact CE2-CZ 3.87Å; F245-F334 HydrophobicContact CZ-CZ 4.26Å
246G97.5Very high97.7Very high26 Ų2620.7 Ų20.727%0.26813%0.125SC..EExtended strand (participates in β ladder)trans-99.5125.6176.100000111.4E250 I298G246-E250 CarbonylContact C-O 3.55Å; G246-E250 WeakPolarHBondContact CA-O 3.26Å; G246-I298 WeakPolarHBondContact O-CD1 3.37Å
247Y96.9Very high97.8Very high25 Ų2521.1 Ų21.110%0.09813%0.126CC..EExtended strand (participates in β ladder)trans-137.9129177.1-179.1-104.6000110.1G249 E250 Y252 D301 F334Y247-G249 VanDerWaalsContact C-N 3.26Å; Y247-G249 PolarHBondContact O-N 3.28Å; Y247-E250 PolarHBondContact N-O 3.48Å; Y247-E250 PolarHBondContact O-N 3Å; Y247-Y252 HydrophobicContact CD1-CE2 4.39Å; Y247-D301 WeakPolarHBondContact CE2-OD1 3.26Å; Y247-D301 PolarHBondContact OH-OD1 2.85Å; Y247-F334 AromaticContact CD1-CD1 3.68Å; Y247-F334 HydrophobicContact CD1-CD1 3.68Å; Y247-F334 AromaticContact CD1-CD2 3.98Å; Y247-F334 HydrophobicContact CD1-CD2 3.98Å; Y247-F334 AromaticContact CD1-CE1 3.69Å; Y247-F334 HydrophobicContact CD1-CE1 3.69Å; Y247-F334 AromaticContact CD1-CE2 3.95Å; Y247-F334 HydrophobicContact CD1-CE2 3.95Å; Y247-F334 AromaticContact CD1-CG 3.85Å; Y247-F334 HydrophobicContact CD1-CG 3.85Å; Y247-F334 AromaticContact CD1-CZ 3.83Å; Y247-F334 HydrophobicContact CD1-CZ 3.83Å; Y247-F334 HydrophobicContact CD2-CD2 4.48Å; Y247-F334 HydrophobicContact CE1-CB 3.75Å; Y247-F334 AromaticContact CE1-CD1 3.46Å; Y247-F334 HydrophobicContact CE1-CD1 3.46Å; Y247-F334 VanDerWaalsContact CE1-CD1 3.46Å; Y247-F334 AromaticContact CE1-CD2 3.82Å; Y247-F334 HydrophobicContact CE1-CD2 3.82Å; Y247-F334 AromaticContact CE1-CE1 3.99Å; Y247-F334 HydrophobicContact CE1-CE1 3.99Å; Y247-F334 HydrophobicContact CE1-CE2 4.27Å; Y247-F334 AromaticContact CE1-CG 3.38Å; Y247-F334 HydrophobicContact CE1-CG 3.38Å; Y247-F334 HydrophobicContact CE1-CZ 4.37Å; Y247-F334 HydrophobicContact CE2-CD2 4.36Å; Y247-F334 HydrophobicContact CG-CD2 4.31Å; Y247-F334 HydrophobicContact CG-CE2 4.08Å; Y247-F334 HydrophobicContact CG-CZ 4.22Å; Y247-F334 AromaticContact CZ-CG 3.82Å
248N95.4Very high97.8Very high124 Ų12418 Ų1866%0.66311%0.112SC*.THydrogen-bonded Turntrans48.542.5-177.5-68.4-13.6000114.4E250N248-E250 PolarHBondContact O-N 3.07Å
249G96.8Very high97.7Very high50 Ų5019.6 Ų19.652%0.51513%0.125SC..THydrogen-bonded Turntrans75.24.8179.100000114.9Y247 P273Y247-G249 VanDerWaalsContact C-N 3.26Å; Y247-G249 PolarHBondContact O-N 3.28Å; G249-P273 WeakPolarHBondContact O-CD 3.35Å; G249-P273 WeakPolarHBondContact O-CG 3.09Å
250E97.8Very high97.5Very high31 Ų3127.7 Ų27.715%0.14516%0.156CC..EExtended strand (participates in β ladder)trans-111.6150.1177.2-62.4-177.6116.900110.4G246 Y247 N248 Y252 K270 N272G246-E250 CarbonylContact C-O 3.55Å; G246-E250 WeakPolarHBondContact CA-O 3.26Å; Y247-E250 PolarHBondContact N-O 3.48Å; Y247-E250 PolarHBondContact O-N 3Å; N248-E250 PolarHBondContact O-N 3.07Å; E250-Y252 HydrophobicContact CB-CE2 4.02Å; E250-K270 HydrophobicContact CB-CD 4.34Å; E250-K270 HydrophobicContact CB-CG 4.09Å; E250-K270 WeakPolarHBondContact OE1-CE 3.27Å; E250-K270 IonicContact OE1-NZ 3.41Å; E250-K270 PolarHBondContact OE1-NZ 2.82Å; E250-K270 VanDerWaalsContact OE2-CD 3.24Å; E250-K270 WeakPolarHBondContact OE2-CD 3.43Å; E250-K270 WeakPolarHBondContact OE2-CE 3.26Å; E250-K270 IonicContact OE2-NZ 3.49Å; E250-K270 PolarHBondContact OE2-NZ 3.01Å; E250-N272 PolarHBondContact OE1-ND2 3.17Å; E250-N272 VanDerWaalsContact OE1-ND2 3.15Å
251L98.2Very high97.3Very high0 Ų031.1 Ų31.10%018%0.175CC..EExtended strand (participates in β ladder)trans-94.5135.9176.1164.867.8000109.3T186 L188 I216 A244 K270 F271 W278T186-L251 HydrophobicContact CG2-CD1 3.93Å; T186-L251 WeakPolarHBondContact OG1-CD1 3.44Å; L188-L251 HydrophobicContact CD1-CB 4.02Å; I216-L251 HydrophobicContact CD1-CD2 3.64Å; A244-L251 HydrophobicContact CB-CD1 4.2Å; L251-K270 CarbonylContact O-C 3.59Å; L251-K270 WeakPolarHBondContact O-CA 3.49Å; L251-F271 HydrophobicContact CB-CB 4.09Å; L251-F271 HydrophobicContact CB-CD1 4.31Å; L251-F271 HydrophobicContact CD2-CB 4.36Å; L251-F271 HydrophobicContact CD2-CD1 4.38Å; L251-F271 HydrophobicContact CG-CB 4.41Å; L251-F271 PolarHBondContact N-O 3.33Å; L251-F271 PolarHBondContact O-N 2.83Å; L251-W278 HydrophobicContact CD2-CH2 4.19Å; L251-W278 HydrophobicContact CG-CH2 4.47Å
252Y98.5Very high97Very high14 Ų1436.4 Ų36.46%0.05520%0.202CC..EExtended strand (participates in β ladder)trans-118.8147.2172.9-69.7-103.4000110.7A244 F245 Y247 E250 L268 W269 K270 I281 F334A244-Y252 CarbonylContact C-O 3.59Å; A244-Y252 WeakPolarHBondContact CA-O 3.35Å; F245-Y252 HydrophobicContact CD2-CD2 4.26Å; F245-Y252 HydrophobicContact CD2-CG 4.29Å; F245-Y252 HydrophobicContact CE2-CD1 4.28Å; F245-Y252 AromaticContact CE2-CD2 3.78Å; F245-Y252 HydrophobicContact CE2-CD2 3.78Å; F245-Y252 AromaticContact CE2-CG 3.57Å; F245-Y252 HydrophobicContact CE2-CG 3.57Å; F245-Y252 HydrophobicContact CZ-CD1 4.19Å; F245-Y252 HydrophobicContact CZ-CD2 4.43Å; F245-Y252 AromaticContact CZ-CG 3.75Å; F245-Y252 HydrophobicContact CZ-CG 3.75Å; F245-Y252 PolarHBondContact N-O 2.88Å; F245-Y252 PolarHBondContact O-N 3.37Å; Y247-Y252 HydrophobicContact CD1-CE2 4.39Å; E250-Y252 HydrophobicContact CB-CE2 4.02Å; Y252-L268 HydrophobicContact CD1-CD1 4.08Å; Y252-L268 HydrophobicContact CD1-CG 4.35Å; Y252-W269 CarbonylContact C-O 3.59Å; Y252-W269 WeakPolarHBondContact CA-O 3.42Å; Y252-K270 HydrophobicContact CD1-CB 3.99Å; Y252-K270 HydrophobicContact CD1-CG 4.17Å; Y252-K270 HydrophobicContact CD2-CG 4.42Å; Y252-K270 HydrophobicContact CE1-CB 3.75Å; Y252-K270 HydrophobicContact CE1-CD 3.7Å; Y252-K270 HydrophobicContact CE1-CG 3.69Å; Y252-K270 HydrophobicContact CE2-CD 4.07Å; Y252-K270 HydrophobicContact CE2-CG 3.94Å; Y252-K270 WeakPolarHBondContact OH-CD 2.99Å; Y252-I281 HydrophobicContact CE1-CG1 4.47Å; Y252-F334 HydrophobicContact CD1-CZ 4.32Å; Y252-F334 AromaticContact CE1-CE1 3.74Å; Y252-F334 HydrophobicContact CE1-CE1 3.74Å; Y252-F334 AromaticContact CE1-CZ 3.93Å; Y252-F334 HydrophobicContact CE1-CZ 3.93Å; Y252-F334 HydrophobicContact CE2-CE1 4.29Å; Y252-F334 HydrophobicContact CE2-CZ 4.28Å; Y252-F334 AromaticContact CZ-CE1 3.58Å; Y252-F334 AromaticContact CZ-CZ 3.9Å; Y252-F334 WeakPolarHBondContact OH-CE1 3.38Å
253I98.6Very high96.8Very high0 Ų042.4 Ų42.40%022%0.224CC..EExtended strand (participates in β ladder)trans-130.8147168.867.2166.9000110.9F195 P236 S243 A244 L268 W269 W278F195-I253 HydrophobicContact CD1-CD1 3.61Å; F195-I253 HydrophobicContact CD1-CG2 4.12Å; F195-I253 HydrophobicContact CE1-CD1 3.23Å; F195-I253 HydrophobicContact CG-CD1 4.49Å; F195-I253 HydrophobicContact CZ-CD1 3.83Å; P236-I253 HydrophobicContact CB-CD1 4.15Å; P236-I253 HydrophobicContact CG-CD1 3.36Å; P236-I253 HydrophobicContact CG-CG1 4.3Å; S243-I253 CarbonylContact O-C 3.59Å; S243-I253 VanDerWaalsContact O-CA 3.26Å; S243-I253 WeakPolarHBondContact O-CA 3.41Å; A244-I253 HydrophobicContact CB-CG2 3.92Å; I253-L268 WeakPolarHBondContact O-CA 3.41Å; I253-L268 WeakPolarHBondContact O-CD1 3.44Å; I253-W269 HydrophobicContact CD1-CB 4.35Å; I253-W269 HydrophobicContact CG1-CB 3.77Å; I253-W269 PolarHBondContact N-O 2.97Å; I253-W269 PolarHBondContact O-N 3.14Å; I253-W278 HydrophobicContact CD1-CH2 4.05Å; I253-W278 HydrophobicContact CD1-CZ3 4.27Å; I253-W278 HydrophobicContact CG1-CH2 4.04Å; I253-W278 HydrophobicContact CG1-CZ3 3.94Å; I253-W278 HydrophobicContact CG2-CH2 3.94Å; I253-W278 HydrophobicContact CG2-CZ3 4.44Å
254F98.7Very high96.8Very high6 Ų643 Ų433%0.02623%0.226CC..EExtended strand (participates in β ladder)trans-137.8137.4177179.8-88.5000112W4 H242 S243 H266 D267 L268 P288 R291 Q294 L305W4-F254 HydrophobicContact CZ2-CD2 4.42Å; W4-F254 AromaticContact CZ2-CE2 3.99Å; W4-F254 HydrophobicContact CZ2-CE2 3.99Å; H242-F254 WeakPolarHBondContact CB-O 3.42Å; S243-F254 PolarHBondContact N-O 3.36Å; S243-F254 PolarHBondContact O-N 3.4Å; F254-H266 WeakPolarHBondContact CE2-O 3.31Å; F254-H266 HydrophobicContact CZ-CB 4.32Å; F254-D267 WeakPolarHBondContact CA-O 3.23Å; F254-L268 HydrophobicContact CB-CD1 4.24Å; F254-L268 HydrophobicContact CD2-CB 4.33Å; F254-L268 HydrophobicContact CD2-CD1 4.48Å; F254-P288 HydrophobicContact CE1-CB 4.19Å; F254-P288 HydrophobicContact CE1-CG 4.06Å; F254-P288 HydrophobicContact CE2-CG 4.48Å; F254-P288 HydrophobicContact CZ-CB 3.88Å; F254-P288 HydrophobicContact CZ-CG 3.65Å; F254-R291 HydrophobicContact CE1-CG 4.45Å; F254-Q294 PolarHBondContact O-NE2 2.9Å; F254-Q294 VanDerWaalsContact O-NE2 3.13Å; F254-L305 HydrophobicContact CD1-CD1 3.33Å; F254-L305 HydrophobicContact CE1-CD1 3.52Å; F254-L305 HydrophobicContact CG-CD1 3.99Å; F254-L305 HydrophobicContact CZ-CD1 4.3Å
255G98.3Very high96.8Very high0 Ų042.1 Ų42.10%022%0.218CC..  trans67.9-150.5170.500000113.6R239 H242 F265 D267R239-G255 WeakPolarHBondContact CD-O 3.32Å; R239-G255 PolarHBondContact NH1-O 3.3Å; H242-G255 VanDerWaalsContact CB-O 3.27Å; H242-G255 WeakPolarHBondContact CB-O 3.22Å; G255-F265 VanDerWaalsContact CA-O 3.24Å; G255-F265 WeakPolarHBondContact CA-O 3.19Å; G255-D267 PolarHBondContact N-O 2.89Å
256G98.4Very high96.8Very high0 Ų046.5 Ų46.50%024%0.238CC..  trans104.5-176.7-177.700000113.5R240 H264 F265 R291R240-G256 CarbonylContact O-C 3.55Å; R240-G256 VanDerWaalsContact O-CA 3.28Å; R240-G256 WeakPolarHBondContact O-CA 3.39Å; G256-H264 WeakPolarHBondContact O-CA 3.14Å; G256-F265 WeakPolarHBondContact O-CD2 3.43Å; G256-F265 PolarHBondContact O-N 2.9Å; G256-R291 PolarHBondContact N-O 2.8Å
257Y97.8Very high96.8Very high10 Ų1046.4 Ų46.44%0.03923%0.232CC..EExtended strand (participates in β ladder)trans-140.4147.6-178.2177.9-110.3000112.6R239 R240 A259 N262 R263 H264 R292R239-Y257 WeakPolarHBondContact CA-O 3.13Å; R240-Y257 PolarHBondContact N-O 2.81Å; R240-Y257 PolarHBondContact O-N 3Å; Y257-A259 HydrophobicContact CD1-CB 4.4Å; Y257-A259 VanDerWaalsContact CE1-CA 3.43Å; Y257-A259 HydrophobicContact CE1-CB 3.6Å; Y257-N262 PolarHBondContact OH-OD1 2.82Å; Y257-R263 WeakPolarHBondContact CA-O 3.24Å; Y257-R263 VanDerWaalsContact CD2-C 3.45Å; Y257-R263 WeakPolarHBondContact CD2-O 3.47Å; Y257-H264 AromaticContact CD2-CD2 3.8Å; Y257-H264 AromaticContact CD2-CE1 3.3Å; Y257-H264 WeakPolarHBondContact CD2-CE1 3.28Å; Y257-H264 AromaticContact CD2-CG 3.67Å; Y257-H264 AromaticContact CD2-ND1 3.36Å; Y257-H264 WeakPolarHBondContact CD2-ND1 3.12Å; Y257-H264 AromaticContact CD2-NE2 3.56Å; Y257-H264 AromaticContact CE2-CE1 3.42Å; Y257-H264 VanDerWaalsContact CE2-CE1 3.42Å; Y257-H264 WeakPolarHBondContact CE2-CE1 3.46Å; Y257-H264 AromaticContact CE2-ND1 3.55Å; Y257-R292 VanDerWaalsContact CB-CD 3.45Å
258N97.3Very high96.9Very high6 Ų645.5 Ų45.53%0.03223%0.228CC..EExtended strand (participates in β ladder)trans-129.1111.4170.7-176.9-32.5000109Y212 G238 R260 L261 N262 R263 F265Y212-N258 WeakPolarHBondContact CD2-OD1 3.28Å; Y212-N258 HydrophobicContact CG-CB 4.48Å; G238-N258 WeakPolarHBondContact O-CB 3.39Å; G238-N258 PolarHBondContact O-ND2 3.03Å; N258-R260 VanDerWaalsContact C-N 3.33Å; N258-R260 PolarHBondContact O-N 3.09Å; N258-R260 WeakPolarHBondContact OD1-CB 3.29Å; N258-R260 PolarHBondContact OD1-N 2.88Å; N258-L261 HydrophobicContact CB-CB 4.33Å; N258-L261 HydrophobicContact CB-CD1 4.35Å; N258-L261 HydrophobicContact CB-CG 4.41Å; N258-L261 PolarHBondContact O-N 2.91Å; N258-L261 PolarHBondContact OD1-N 2.77Å; N258-N262 WeakPolarHBondContact O-CA 3.42Å; N258-N262 PolarHBondContact O-N 3.1Å; N258-R263 PolarHBondContact N-O 2.98Å; N258-R263 PolarHBondContact O-N 2.85Å; N258-F265 HydrophobicContact CB-CE2 3.78Å; N258-F265 HydrophobicContact CB-CZ 4.1Å
259A94Very high97Very high34 Ų3440.9 Ų40.928%0.28120%0.202SC..G310 helixtrans-67.3-33.8-176.700000112.7Y212 Y257 L261 N262Y212-A259 HydrophobicContact CE2-CB 4.2Å; Y212-A259 WeakPolarHBondContact OH-CB 3.34Å; Y257-A259 HydrophobicContact CD1-CB 4.4Å; Y257-A259 VanDerWaalsContact CE1-CA 3.43Å; Y257-A259 HydrophobicContact CE1-CB 3.6Å; A259-L261 PolarHBondContact O-N 3.5Å; A259-N262 PolarHBondContact O-N 3.05Å
260R93.8Very high97Very high170 Ų17040.5 Ų40.564%0.64219%0.186SC*.G310 helixtrans-65.7-27.3178.6-66.3-171.367.1-157.4-3.2113E210 Y212 N258E210-R260 WeakPolarHBondContact O-CD 3.49Å; Y212-R260 HydrophobicContact CD2-CG 4.21Å; Y212-R260 HydrophobicContact CE2-CG 4.04Å; N258-R260 VanDerWaalsContact C-N 3.33Å; N258-R260 PolarHBondContact O-N 3.09Å; N258-R260 WeakPolarHBondContact OD1-CB 3.29Å; N258-R260 PolarHBondContact OD1-N 2.88Å
261L94.2Very high97Very high88 Ų8839 Ų3946%0.46118%0.179SC..G310 helixtrans-98.4-2.2175.7-57.4-179.5000112.3E237 N258 A259 R263E237-L261 HydrophobicContact CG-CD1 3.54Å; N258-L261 HydrophobicContact CB-CB 4.33Å; N258-L261 HydrophobicContact CB-CD1 4.35Å; N258-L261 HydrophobicContact CB-CG 4.41Å; N258-L261 PolarHBondContact O-N 2.91Å; N258-L261 PolarHBondContact OD1-N 2.77Å; A259-L261 PolarHBondContact O-N 3.5Å; L261-R263 HydrophobicContact CB-CB 3.94Å; L261-R263 PolarHBondContact O-N 2.91Å; L261-R263 VanDerWaalsContact O-N 3.17Å
262N92.3Very high97Very high119 Ų11941.1 Ų41.164%0.63619%0.19SC*.THydrogen-bonded Turntrans39.747.1-165.3-165.922000113.3Y257 N258 A259Y257-N262 PolarHBondContact OH-OD1 2.82Å; N258-N262 WeakPolarHBondContact O-CA 3.42Å; N258-N262 PolarHBondContact O-N 3.1Å; A259-N262 PolarHBondContact O-N 3.05Å
263R95.3Very high96.9Very high141 Ų14141.8 Ų41.853%0.53220%0.196SC..EExtended strand (participates in β ladder)trans-125122.3-168.2-173.5173.7-179.7-177.53.1112.3Y257 N258 L261 F265Y257-R263 WeakPolarHBondContact CA-O 3.24Å; Y257-R263 VanDerWaalsContact CD2-C 3.45Å; Y257-R263 WeakPolarHBondContact CD2-O 3.47Å; N258-R263 PolarHBondContact N-O 2.98Å; N258-R263 PolarHBondContact O-N 2.85Å; L261-R263 HydrophobicContact CB-CB 3.94Å; L261-R263 PolarHBondContact O-N 2.91Å; L261-R263 VanDerWaalsContact O-N 3.17Å; R263-F265 HydrophobicContact CB-CZ 4.39Å; R263-F265 HydrophobicContact CG-CD1 4.32Å; R263-F265 HydrophobicContact CG-CE1 4.03Å; R263-F265 HydrophobicContact CG-CZ 4.24Å
264H97Very high96.7Very high21 Ų2148.6 Ų48.610%0.09724%0.237CC..EExtended strand (participates in β ladder)trans-85.7141.3162.9-69.380.1000109.7G256 Y257 P290 P311G256-H264 WeakPolarHBondContact O-CA 3.14Å; Y257-H264 AromaticContact CD2-CD2 3.8Å; Y257-H264 AromaticContact CD2-CE1 3.3Å; Y257-H264 WeakPolarHBondContact CD2-CE1 3.28Å; Y257-H264 AromaticContact CD2-CG 3.67Å; Y257-H264 AromaticContact CD2-ND1 3.36Å; Y257-H264 WeakPolarHBondContact CD2-ND1 3.12Å; Y257-H264 AromaticContact CD2-NE2 3.56Å; Y257-H264 AromaticContact CE2-CE1 3.42Å; Y257-H264 VanDerWaalsContact CE2-CE1 3.42Å; Y257-H264 WeakPolarHBondContact CE2-CE1 3.46Å; Y257-H264 AromaticContact CE2-ND1 3.55Å; H264-P290 HydrophobicContact CB-CB 3.75Å; H264-P311 HydrophobicContact CB-CG 4.49Å; H264-P311 WeakPolarHBondContact ND1-CD 3.33Å; H264-P311 VanDerWaalsContact ND1-CG 3.3Å; H264-P311 WeakPolarHBondContact ND1-CG 3.39Å
265F98.1Very high96.4Very high5 Ų551.4 Ų51.42%0.02226%0.258CS..  trans-109.2155.8-177.9-60.3-80.7000111.4E237 R239 G255 G256 N258 R263 D267 P290 R291E237-F265 HydrophobicContact CB-CE1 4.07Å; E237-F265 HydrophobicContact CB-CZ 3.98Å; E237-F265 HydrophobicContact CG-CE1 4.22Å; E237-F265 HydrophobicContact CG-CZ 3.77Å; R239-F265 HydrophobicContact CB-CD2 4.04Å; R239-F265 HydrophobicContact CB-CE2 3.86Å; R239-F265 VanDerWaalsContact NH1-CB 3.32Å; G255-F265 VanDerWaalsContact CA-O 3.24Å; G255-F265 WeakPolarHBondContact CA-O 3.19Å; G256-F265 WeakPolarHBondContact O-CD2 3.43Å; G256-F265 PolarHBondContact O-N 2.9Å; N258-F265 HydrophobicContact CB-CE2 3.78Å; N258-F265 HydrophobicContact CB-CZ 4.1Å; R263-F265 HydrophobicContact CB-CZ 4.39Å; R263-F265 HydrophobicContact CG-CD1 4.32Å; R263-F265 HydrophobicContact CG-CE1 4.03Å; R263-F265 HydrophobicContact CG-CZ 4.24Å; F265-D267 WeakPolarHBondContact CB-OD1 3.24Å; F265-P290 CarbonylContact O-C 3.54Å; F265-P290 VanDerWaalsContact O-CA 3.27Å; F265-P290 WeakPolarHBondContact O-CA 3.42Å; F265-R291 PolarHBondContact O-N 2.99Å
266H97.4Very high96.3Very high107 Ų10752.6 Ų52.650%0.49526%0.263SS..  trans-138.98.9171.165-80.4000111.6F254 P290F254-H266 WeakPolarHBondContact CE2-O 3.31Å; F254-H266 HydrophobicContact CZ-CB 4.32Å; H266-P290 HydrophobicContact CB-CB 4.38Å; H266-P290 HydrophobicContact CB-CG 4.26Å
267D98.1Very high96.1Very high24 Ų2455.9 Ų55.913%0.12828%0.283CS..  trans-74.214418052.3-7.6000110.5R239 F254 G255 F265 W269R239-D267 IonicContact CZ-OD1 2.74Å; R239-D267 IonicContact CZ-OD2 2.88Å; R239-D267 IonicContact NH1-OD1 2.89Å; R239-D267 PolarHBondContact NH1-OD1 3.14Å; R239-D267 IonicContact NH1-OD2 3.69Å; R239-D267 IonicContact NH2-OD1 3.74Å; R239-D267 PolarHBondContact NH2-OD1 3.18Å; R239-D267 IonicContact NH2-OD2 3.7Å; R239-D267 PolarHBondContact NH2-OD2 3.08Å; F254-D267 WeakPolarHBondContact CA-O 3.23Å; G255-D267 PolarHBondContact N-O 2.89Å; F265-D267 WeakPolarHBondContact CB-OD1 3.24Å; D267-W269 PolarHBondContact OD2-NE1 3.06Å
268L98.4Very high96.1Very high5 Ų557 Ų573%0.02629%0.288CS..EExtended strand (participates in β ladder)trans-103.6124.9172.1-178.865.1000108.2L2 F245 Y252 I253 F254 I281 P283 L332L2-L268 HydrophobicContact CD2-CD2 4.13Å; F245-L268 HydrophobicContact CZ-CD1 4.35Å; Y252-L268 HydrophobicContact CD1-CD1 4.08Å; Y252-L268 HydrophobicContact CD1-CG 4.35Å; I253-L268 WeakPolarHBondContact O-CA 3.41Å; I253-L268 WeakPolarHBondContact O-CD1 3.44Å; F254-L268 HydrophobicContact CB-CD1 4.24Å; F254-L268 HydrophobicContact CD2-CB 4.33Å; F254-L268 HydrophobicContact CD2-CD1 4.48Å; L268-I281 HydrophobicContact CB-CB 4.34Å; L268-I281 HydrophobicContact CD2-CB 4.01Å; L268-I281 HydrophobicContact CD2-CG2 3.91Å; L268-I281 HydrophobicContact CG-CB 4.07Å; L268-I281 PolarHBondContact O-N 2.89Å; L268-P283 HydrophobicContact CD2-CG 3.66Å; L268-L332 HydrophobicContact CD2-CD2 3.71Å
269W98.3Very high96Very high28 Ų2863.2 Ų63.211%0.10631%0.314CS..EExtended strand (participates in β ladder)trans-119.7147175.7-70.184000110.4L235 P236 Y252 I253 D267 W278 K280L235-W269 HydrophobicContact CB-CH2 4.11Å; L235-W269 HydrophobicContact CB-CZ3 4.25Å; L235-W269 HydrophobicContact CD1-CH2 4.39Å; P236-W269 HydrophobicContact CB-CD2 3.74Å; P236-W269 HydrophobicContact CB-CE3 4.38Å; P236-W269 HydrophobicContact CB-CG 3.77Å; P236-W269 HydrophobicContact CB-CZ2 4.28Å; P236-W269 HydrophobicContact CG-CB 4.08Å; P236-W269 HydrophobicContact CG-CD2 4.05Å; P236-W269 HydrophobicContact CG-CG 3.84Å; Y252-W269 CarbonylContact C-O 3.59Å; Y252-W269 WeakPolarHBondContact CA-O 3.42Å; I253-W269 HydrophobicContact CD1-CB 4.35Å; I253-W269 HydrophobicContact CG1-CB 3.77Å; I253-W269 PolarHBondContact N-O 2.97Å; I253-W269 PolarHBondContact O-N 3.14Å; D267-W269 PolarHBondContact OD2-NE1 3.06Å; W269-W278 HydrophobicContact CB-CE3 3.68Å; W269-W278 HydrophobicContact CB-CZ3 3.74Å; W269-W278 HydrophobicContact CE3-CB 4.08Å; W269-W278 HydrophobicContact CZ3-CB 4.37Å; W269-K280 HydrophobicContact CD2-CB 4.06Å; W269-K280 HydrophobicContact CD2-CG 4.26Å; W269-K280 HydrophobicContact CE3-CB 3.89Å; W269-K280 HydrophobicContact CH2-CB 3.82Å; W269-K280 HydrophobicContact CH2-CG 4.37Å; W269-K280 HydrophobicContact CZ2-CB 3.97Å; W269-K280 HydrophobicContact CZ2-CD 4.09Å; W269-K280 HydrophobicContact CZ2-CG 4.01Å; W269-K280 HydrophobicContact CZ3-CB 3.77Å
270K97.6Very high96.2Very high42 Ų4266.5 Ų66.518%0.18332%0.322CS..EExtended strand (participates in β ladder)trans-121.2129.4176.3-174.7179.285.6146.70109.8E250 L251 Y252 W278 K279 I281E250-K270 HydrophobicContact CB-CD 4.34Å; E250-K270 HydrophobicContact CB-CG 4.09Å; E250-K270 WeakPolarHBondContact OE1-CE 3.27Å; E250-K270 IonicContact OE1-NZ 3.41Å; E250-K270 PolarHBondContact OE1-NZ 2.82Å; E250-K270 VanDerWaalsContact OE2-CD 3.24Å; E250-K270 WeakPolarHBondContact OE2-CD 3.43Å; E250-K270 WeakPolarHBondContact OE2-CE 3.26Å; E250-K270 IonicContact OE2-NZ 3.49Å; E250-K270 PolarHBondContact OE2-NZ 3.01Å; L251-K270 CarbonylContact O-C 3.59Å; L251-K270 WeakPolarHBondContact O-CA 3.49Å; Y252-K270 HydrophobicContact CD1-CB 3.99Å; Y252-K270 HydrophobicContact CD1-CG 4.17Å; Y252-K270 HydrophobicContact CD2-CG 4.42Å; Y252-K270 HydrophobicContact CE1-CB 3.75Å; Y252-K270 HydrophobicContact CE1-CD 3.7Å; Y252-K270 HydrophobicContact CE1-CG 3.69Å; Y252-K270 HydrophobicContact CE2-CD 4.07Å; Y252-K270 HydrophobicContact CE2-CG 3.94Å; Y252-K270 WeakPolarHBondContact OH-CD 2.99Å; K270-W278 VanDerWaalsContact C-CE3 3.46Å; K270-W278 CarbonylContact O-C 3.5Å; K270-W278 WeakPolarHBondContact O-CA 3.29Å; K270-K279 PolarHBondContact N-O 3.13Å; K270-K279 PolarHBondContact O-N 2.73Å; K270-I281 HydrophobicContact CB-CD1 3.96Å; K270-I281 HydrophobicContact CB-CG1 3.71Å; K270-I281 HydrophobicContact CD-CD1 4.34Å
271F97.8Very high96.4Very high0 Ų059.8 Ų59.80%030%0.299CS..EExtended strand (participates in β ladder)trans-109127.7174.8178.6-105.1000109.6Y193 I216 L251 P273 F276 W278Y193-F271 HydrophobicContact CD1-CD1 4.41Å; Y193-F271 AromaticContact CD1-CE1 3.87Å; Y193-F271 HydrophobicContact CD1-CE1 3.87Å; Y193-F271 AromaticContact CE1-CE1 3.87Å; Y193-F271 HydrophobicContact CE1-CE1 3.87Å; I216-F271 HydrophobicContact CB-CZ 4.42Å; I216-F271 HydrophobicContact CG1-CD2 4.28Å; I216-F271 HydrophobicContact CG1-CE2 4.19Å; I216-F271 HydrophobicContact CG1-CG 4.48Å; I216-F271 HydrophobicContact CG1-CZ 4.31Å; I216-F271 HydrophobicContact CG2-CE1 4.22Å; I216-F271 HydrophobicContact CG2-CZ 4.05Å; L251-F271 HydrophobicContact CB-CB 4.09Å; L251-F271 HydrophobicContact CB-CD1 4.31Å; L251-F271 HydrophobicContact CD2-CB 4.36Å; L251-F271 HydrophobicContact CD2-CD1 4.38Å; L251-F271 HydrophobicContact CG-CB 4.41Å; L251-F271 PolarHBondContact N-O 3.33Å; L251-F271 PolarHBondContact O-N 2.83Å; F271-P273 HydrophobicContact CD1-CG 4.26Å; F271-P273 HydrophobicContact CE1-CB 4.3Å; F271-P273 HydrophobicContact CE1-CG 4.29Å; F271-P273 WeakPolarHBondContact O-CD 3.06Å; F271-F276 HydrophobicContact CE1-CD2 4.4Å; F271-F276 HydrophobicContact CE1-CE2 4.43Å; F271-F276 HydrophobicContact CE2-CD2 4.34Å; F271-F276 HydrophobicContact CE2-CG 4.31Å; F271-F276 HydrophobicContact CZ-CB 4.5Å; F271-F276 HydrophobicContact CZ-CD1 4.44Å; F271-F276 AromaticContact CZ-CD2 3.52Å; F271-F276 HydrophobicContact CZ-CD2 3.52Å; F271-F276 AromaticContact CZ-CE2 3.62Å; F271-F276 HydrophobicContact CZ-CE2 3.62Å; F271-F276 AromaticContact CZ-CG 3.91Å; F271-F276 HydrophobicContact CZ-CG 3.91Å; F271-F276 HydrophobicContact CZ-CZ 4.08Å; F271-W278 HydrophobicContact CB-CD2 3.68Å; F271-W278 HydrophobicContact CB-CE3 3.53Å; F271-W278 HydrophobicContact CB-CH2 3.7Å; F271-W278 HydrophobicContact CB-CZ2 3.86Å; F271-W278 HydrophobicContact CB-CZ3 3.52Å; F271-W278 AromaticContact CD2-CD1 3.75Å; F271-W278 AromaticContact CD2-CD2 3.8Å; F271-W278 HydrophobicContact CD2-CD2 3.8Å; F271-W278 AromaticContact CD2-CE2 3.62Å; F271-W278 AromaticContact CD2-CG 3.93Å; F271-W278 HydrophobicContact CD2-CG 3.93Å; F271-W278 HydrophobicContact CD2-CZ2 4.24Å; F271-W278 AromaticContact CD2-NE1 3.55Å; F271-W278 HydrophobicContact CG-CD2 4.2Å; F271-W278 HydrophobicContact CG-CZ2 4.22Å
272N96.7Very high96.5Very high44 Ų4462.9 Ų62.924%0.23531%0.311CS..EExtended strand (participates in β ladder)trans-96.7115.3173.6-174.4-61.6000109.2E250 V274 S275 F276 T277E250-N272 PolarHBondContact OE1-ND2 3.17Å; E250-N272 VanDerWaalsContact OE1-ND2 3.15Å; N272-V274 VanDerWaalsContact C-N 3.29Å; N272-V274 PolarHBondContact O-N 3.41Å; N272-V274 WeakPolarHBondContact OD1-CA 3.34Å; N272-V274 WeakPolarHBondContact OD1-CB 3.49Å; N272-V274 PolarHBondContact OD1-N 3.13Å; N272-S275 WeakPolarHBondContact CB-OG 3.48Å; N272-S275 PolarHBondContact OD1-N 2.79Å; N272-S275 PolarHBondContact OD1-OG 2.95Å; N272-F276 WeakPolarHBondContact O-CA 3.38Å; N272-F276 PolarHBondContact O-N 3.04Å; N272-T277 PolarHBondContact N-O 3.21Å; N272-T277 PolarHBondContact O-N 3.38Å
273P96Very high96.7Very high28 Ų2858.7 Ų58.718%0.18229%0.29CS..THydrogen-bonded Turntrans-68.6-22.3-178.5-22.734.7000115.2L188 Y193 G249 F271L188-P273 HydrophobicContact CD1-CG 3.79Å; Y193-P273 HydrophobicContact CE1-CB 3.97Å; Y193-P273 HydrophobicContact CE1-CG 4.3Å; Y193-P273 WeakPolarHBondContact OH-CB 3.45Å; G249-P273 WeakPolarHBondContact O-CD 3.35Å; G249-P273 WeakPolarHBondContact O-CG 3.09Å; F271-P273 HydrophobicContact CD1-CG 4.26Å; F271-P273 HydrophobicContact CE1-CB 4.3Å; F271-P273 HydrophobicContact CE1-CG 4.29Å; F271-P273 WeakPolarHBondContact O-CD 3.06Å
274V94.5Very high96.8Very high142 Ų14256.6 Ų56.686%0.86129%0.285SS*.THydrogen-bonded Turntrans-79-50.8-178.5-179.80000110.7N272 F276N272-V274 VanDerWaalsContact C-N 3.29Å; N272-V274 PolarHBondContact O-N 3.41Å; N272-V274 WeakPolarHBondContact OD1-CA 3.34Å; N272-V274 WeakPolarHBondContact OD1-CB 3.49Å; N272-V274 PolarHBondContact OD1-N 3.13Å; V274-F276 VanDerWaalsContact C-N 3.29Å
275S94.2Very high96.6Very high66 Ų6657.6 Ų57.646%0.46230%0.301SS..THydrogen-bonded Turntrans-81.7-11.9175.963.50000112.9N272 T277N272-S275 WeakPolarHBondContact CB-OG 3.48Å; N272-S275 PolarHBondContact OD1-N 2.79Å; N272-S275 PolarHBondContact OD1-OG 2.95Å; S275-T277 VanDerWaalsContact C-N 3.3Å; S275-T277 WeakPolarHBondContact O-CG2 3.18Å; S275-T277 PolarHBondContact O-N 3.14Å; S275-T277 PolarHBondContact OG-OG1 2.87Å
276F94.6Very high96.4Very high24 Ų2465.4 Ų65.411%0.10534%0.335CS..THydrogen-bonded Turntrans57.940-177.1-151.4-100.1000112.4I216 V218 C229 P230 T232 F271 N272 V274I216-F276 HydrophobicContact CB-CZ 4.35Å; I216-F276 HydrophobicContact CG2-CE2 4.19Å; I216-F276 HydrophobicContact CG2-CZ 3.97Å; V218-F276 HydrophobicContact CG2-CE2 4.1Å; C229-F276 HydrophobicContact CB-CE1 3.8Å; C229-F276 HydrophobicContact CB-CE2 4.19Å; C229-F276 HydrophobicContact CB-CZ 3.4Å; C229-F276 VanDerWaalsContact CB-CZ 3.4Å; P230-F276 HydrophobicContact CB-CD1 3.99Å; P230-F276 HydrophobicContact CG-CB 4.41Å; P230-F276 HydrophobicContact CG-CD1 4.04Å; P230-F276 HydrophobicContact CG-CG 4.16Å; P230-F276 WeakPolarHBondContact O-CE1 3.13Å; T232-F276 HydrophobicContact CG2-CD1 3.13Å; T232-F276 HydrophobicContact CG2-CE1 3.39Å; T232-F276 HydrophobicContact CG2-CG 4.28Å; T232-F276 WeakPolarHBondContact CG2-O 3.45Å; F271-F276 HydrophobicContact CE1-CD2 4.4Å; F271-F276 HydrophobicContact CE1-CE2 4.43Å; F271-F276 HydrophobicContact CE2-CD2 4.34Å; F271-F276 HydrophobicContact CE2-CG 4.31Å; F271-F276 HydrophobicContact CZ-CB 4.5Å; F271-F276 HydrophobicContact CZ-CD1 4.44Å; F271-F276 AromaticContact CZ-CD2 3.52Å; F271-F276 HydrophobicContact CZ-CD2 3.52Å; F271-F276 AromaticContact CZ-CE2 3.62Å; F271-F276 HydrophobicContact CZ-CE2 3.62Å; F271-F276 AromaticContact CZ-CG 3.91Å; F271-F276 HydrophobicContact CZ-CG 3.91Å; F271-F276 HydrophobicContact CZ-CZ 4.08Å; N272-F276 WeakPolarHBondContact O-CA 3.38Å; N272-F276 PolarHBondContact O-N 3.04Å; V274-F276 VanDerWaalsContact C-N 3.29Å
277T95Very high96.3Very high69 Ų6961.4 Ų61.442%0.42332%0.323SS..EExtended strand (participates in β ladder)trans-126.8145.6-175.556.30000113.1N272 S275N272-T277 PolarHBondContact N-O 3.21Å; N272-T277 PolarHBondContact O-N 3.38Å; S275-T277 VanDerWaalsContact C-N 3.3Å; S275-T277 WeakPolarHBondContact O-CG2 3.18Å; S275-T277 PolarHBondContact O-N 3.14Å; S275-T277 PolarHBondContact OG-OG1 2.87Å
278W96.7Very high96.2Very high34 Ų3460.7 Ų60.713%0.12932%0.319CS..EExtended strand (participates in β ladder)trans-90.6144.6169.7-72.8101000112.5F195 I216 L235 P236 L251 I253 W269 K270 F271F195-W278 HydrophobicContact CD2-CH2 4.36Å; F195-W278 AromaticContact CD2-CZ2 3.64Å; F195-W278 HydrophobicContact CD2-CZ2 3.64Å; F195-W278 AromaticContact CE2-CZ2 3.93Å; F195-W278 HydrophobicContact CE2-CZ2 3.93Å; F195-W278 HydrophobicContact CG-CH2 4.47Å; F195-W278 HydrophobicContact CG-CZ2 4.16Å; I216-W278 HydrophobicContact CD1-CH2 4.41Å; I216-W278 HydrophobicContact CD1-CZ2 3.66Å; I216-W278 HydrophobicContact CG1-CZ2 3.57Å; L235-W278 VanDerWaalsContact O-CG 3.26Å; P236-W278 VanDerWaalsContact CD-CE2 3.41Å; P236-W278 VanDerWaalsContact CD-CG 3.49Å; P236-W278 HydrophobicContact CG-CD2 4.11Å; P236-W278 HydrophobicContact CG-CE3 4.13Å; P236-W278 HydrophobicContact CG-CH2 4.31Å; P236-W278 HydrophobicContact CG-CZ2 4.26Å; P236-W278 HydrophobicContact CG-CZ3 4.24Å; L251-W278 HydrophobicContact CD2-CH2 4.19Å; L251-W278 HydrophobicContact CG-CH2 4.47Å; I253-W278 HydrophobicContact CD1-CH2 4.05Å; I253-W278 HydrophobicContact CD1-CZ3 4.27Å; I253-W278 HydrophobicContact CG1-CH2 4.04Å; I253-W278 HydrophobicContact CG1-CZ3 3.94Å; I253-W278 HydrophobicContact CG2-CH2 3.94Å; I253-W278 HydrophobicContact CG2-CZ3 4.44Å; W269-W278 HydrophobicContact CB-CE3 3.68Å; W269-W278 HydrophobicContact CB-CZ3 3.74Å; W269-W278 HydrophobicContact CE3-CB 4.08Å; W269-W278 HydrophobicContact CZ3-CB 4.37Å; K270-W278 VanDerWaalsContact C-CE3 3.46Å; K270-W278 CarbonylContact O-C 3.5Å; K270-W278 WeakPolarHBondContact O-CA 3.29Å; F271-W278 HydrophobicContact CB-CD2 3.68Å; F271-W278 HydrophobicContact CB-CE3 3.53Å; F271-W278 HydrophobicContact CB-CH2 3.7Å; F271-W278 HydrophobicContact CB-CZ2 3.86Å; F271-W278 HydrophobicContact CB-CZ3 3.52Å; F271-W278 AromaticContact CD2-CD1 3.75Å; F271-W278 AromaticContact CD2-CD2 3.8Å; F271-W278 HydrophobicContact CD2-CD2 3.8Å; F271-W278 AromaticContact CD2-CE2 3.62Å; F271-W278 AromaticContact CD2-CG 3.93Å; F271-W278 HydrophobicContact CD2-CG 3.93Å; F271-W278 HydrophobicContact CD2-CZ2 4.24Å; F271-W278 AromaticContact CD2-NE1 3.55Å; F271-W278 HydrophobicContact CG-CD2 4.2Å; F271-W278 HydrophobicContact CG-CZ2 4.22Å
279K96.5Very high96.1Very high136 Ų13662.6 Ų62.659%0.59133%0.333SS*.EExtended strand (participates in β ladder)trans-133.8126.5171.4-177.5175-179.7174.20109.3K270 I281K270-K279 PolarHBondContact N-O 3.13Å; K270-K279 PolarHBondContact O-N 2.73Å; K279-I281 HydrophobicContact CD-CD1 4.3Å; K279-I281 HydrophobicContact CG-CD1 4.15Å
280K97.5Very high96.1Very high103 Ų10363.6 Ų63.645%0.44834%0.343SS..EExtended strand (participates in β ladder)trans-70.3136170.7-166.1-177177.6-155.90109.2W269 E282W269-K280 HydrophobicContact CD2-CB 4.06Å; W269-K280 HydrophobicContact CD2-CG 4.26Å; W269-K280 HydrophobicContact CE3-CB 3.89Å; W269-K280 HydrophobicContact CH2-CB 3.82Å; W269-K280 HydrophobicContact CH2-CG 4.37Å; W269-K280 HydrophobicContact CZ2-CB 3.97Å; W269-K280 HydrophobicContact CZ2-CD 4.09Å; W269-K280 HydrophobicContact CZ2-CG 4.01Å; W269-K280 HydrophobicContact CZ3-CB 3.77Å; K280-E282 IonicContact NZ-OE1 3.4Å
281I97.4Very high96.1Very high29 Ų2961.8 Ų61.815%0.14934%0.335CS..EExtended strand (participates in β ladder)trans-113.5136.9-179.6-54.5-60.4000108.8L2 Y252 L268 K270 K279 P283L2-I281 HydrophobicContact CD2-CG2 3.3Å; Y252-I281 HydrophobicContact CE1-CG1 4.47Å; L268-I281 HydrophobicContact CB-CB 4.34Å; L268-I281 HydrophobicContact CD2-CB 4.01Å; L268-I281 HydrophobicContact CD2-CG2 3.91Å; L268-I281 HydrophobicContact CG-CB 4.07Å; L268-I281 PolarHBondContact O-N 2.89Å; K270-I281 HydrophobicContact CB-CD1 3.96Å; K270-I281 HydrophobicContact CB-CG1 3.71Å; K270-I281 HydrophobicContact CD-CD1 4.34Å; K279-I281 HydrophobicContact CD-CD1 4.3Å; K279-I281 HydrophobicContact CG-CD1 4.15Å; I281-P283 HydrophobicContact CG2-CG 4.44Å; I281-P283 WeakPolarHBondContact O-CD 3.24Å
282E96.6Very high96Very high154 Ų15462.2 Ų62.272%0.7234%0.337SS*.  trans-119.388.5178.7-62.6-170.3162.900109K280K280-E282 IonicContact NZ-OE1 3.4Å
283P96.9Very high96.1Very high30 Ų3062.2 Ų62.220%0.19533%0.333CS..  trans-62.2145.4173.8-21.633.9000111.2L2 L268 I281 L332L2-P283 HydrophobicContact CD2-CB 4.35Å; L2-P283 HydrophobicContact CD2-CG 3.97Å; L2-P283 HydrophobicContact CG-CB 4.2Å; L2-P283 HydrophobicContact CG-CG 4.31Å; L268-P283 HydrophobicContact CD2-CG 3.66Å; I281-P283 HydrophobicContact CG2-CG 4.44Å; I281-P283 WeakPolarHBondContact O-CD 3.24Å; P283-L332 HydrophobicContact CB-CD1 3.7Å; P283-L332 HydrophobicContact CG-CD1 3.91Å
284K96.6Very high96.2Very high97 Ų9761.3 Ų61.342%0.42233%0.327SS..BIsolated β-bridgetrans-73.5165.5167.6-68.7-171.8168171.40110.8M1 L2 R3 W4M1-K284 HydrophobicContact CG-CD 4.49Å; M1-K284 HydrophobicContact SD-CD 3.49Å; M1-K284 WeakPolarHBondContact SD-CD 3.2Å; M1-K284 WeakPolarHBondContact SD-CE 2.94Å; M1-K284 HydrophobicContact SD-CG 4.1Å; M1-K284 PolarHBondContact SD-NZ 3.33Å; L2-K284 PolarHBondContact O-N 3.31Å; L2-K284 VanDerWaalsContact O-N 3.14Å; R3-K284 CarbonylContact C-O 3.55Å; R3-K284 VanDerWaalsContact CA-O 3.28Å; R3-K284 WeakPolarHBondContact CA-O 3.34Å; R3-K284 HydrophobicContact CB-CB 4.15Å; R3-K284 HydrophobicContact CG-CB 4.14Å; R3-K284 WeakPolarHBondContact CG-O 3.49Å; W4-K284 PolarHBondContact N-O 2.85Å
285G93.9Very high96.3Very high43 Ų4355.4 Ų55.444%0.44329%0.291SS..SBendtrans82.7172.5178.200000113.1G287G285-G287 PolarHBondContact O-N 3.06Å
286K93.3Very high96.4Very high168 Ų16853.3 Ų53.373%0.7328%0.277SS*.  trans-81114.1179-171.7-179.6-179.2-173.50109.1W4W4-K286 WeakPolarHBondContact CB-O 3.36Å
287G95.4Very high96.5Very high24 Ų2452.5 Ų52.525%0.24727%0.274CS..  trans-93.4-176.7175.300000113.3W4 G285W4-G287 VanDerWaalsContact CD1-CA 3.43Å; G285-G287 PolarHBondContact O-N 3.06Å
288P96.8Very high96.6Very high8 Ų851.9 Ų51.95%0.05227%0.267CS..PPolyproline II helixtrans-64.2151.4175.8-12.323.8000112.1W4 F254 L305 H330W4-P288 HydrophobicContact CH2-CG 3.89Å; W4-P288 VanDerWaalsContact CZ2-CD 3.49Å; W4-P288 HydrophobicContact CZ2-CG 4.18Å; W4-P288 HydrophobicContact CZ3-CG 4.2Å; F254-P288 HydrophobicContact CE1-CB 4.19Å; F254-P288 HydrophobicContact CE1-CG 4.06Å; F254-P288 HydrophobicContact CE2-CG 4.48Å; F254-P288 HydrophobicContact CZ-CB 3.88Å; F254-P288 HydrophobicContact CZ-CG 3.65Å; P288-L305 HydrophobicContact CB-CD2 4.15Å; P288-L305 HydrophobicContact CG-CD1 4.26Å; P288-L305 HydrophobicContact CG-CD2 3.69Å; P288-H330 HydrophobicContact CG-CB 3.94Å
289C96Very high96.6Very high45 Ų4551 Ų5130%0.30427%0.266SS..PPolyproline II helixtrans-65.8165.7169.770.10000111.7R291 H326C289-R291 WeakPolarHBondContact O-CG 3.46Å; C289-R291 PolarHBondContact O-N 2.86Å; C289-R291 PolarHBondContact O-NE 2.8Å; C289-R291 PolarHBondContact SG-NH2 2.91Å; C289-H326 VanDerWaalsContact SG-CE1 3.57Å
290P97.3Very high96.5Very high50 Ų5047.5 Ų47.533%0.32527%0.268SS..SBendtrans-55123.3172.2-19.228.9000112H264 F265 H266 S310H264-P290 HydrophobicContact CB-CB 3.75Å; F265-P290 CarbonylContact O-C 3.54Å; F265-P290 VanDerWaalsContact O-CA 3.27Å; F265-P290 WeakPolarHBondContact O-CA 3.42Å; H266-P290 HydrophobicContact CB-CB 4.38Å; H266-P290 HydrophobicContact CB-CG 4.26Å; P290-S310 WeakPolarHBondContact O-CB 3.3Å
291R97.4Very high96.3Very high3 Ų346.6 Ų46.61%0.01127%0.268CS..  trans-156163.7-172.863.9-177.765.2-171.42.6113.6F254 G256 F265 C289 Q294 G307 T309 D328F254-R291 HydrophobicContact CE1-CG 4.45Å; G256-R291 PolarHBondContact N-O 2.8Å; F265-R291 PolarHBondContact O-N 2.99Å; C289-R291 WeakPolarHBondContact O-CG 3.46Å; C289-R291 PolarHBondContact O-N 2.86Å; C289-R291 PolarHBondContact O-NE 2.8Å; C289-R291 PolarHBondContact SG-NH2 2.91Å; R291-Q294 HydrophobicContact CG-CG 4.37Å; R291-Q294 PolarHBondContact O-OE1 3.38Å; R291-G307 PolarHBondContact NH1-O 2.96Å; R291-T309 CarbonylContact C-O 3.47Å; R291-T309 WeakPolarHBondContact CA-O 3.19Å; R291-T309 VanDerWaalsContact CB-O 3.24Å; R291-T309 WeakPolarHBondContact CB-O 3.31Å; R291-D328 IonicContact CZ-OD1 3.12Å; R291-D328 IonicContact CZ-OD2 3.62Å; R291-D328 VanDerWaalsContact NH1-CG 3.35Å; R291-D328 IonicContact NH1-OD1 2.65Å; R291-D328 PolarHBondContact NH1-OD1 3Å; R291-D328 IonicContact NH1-OD2 2.75Å; R291-D328 PolarHBondContact NH1-OD2 2.91Å; R291-D328 IonicContact NH2-OD1 3.55Å; R291-D328 IonicContact NH2-OD2 3.53Å; R291-D328 PolarHBondContact NH2-OD2 3.23Å
292R97.4Very high96.3Very high9 Ų948.5 Ų48.53%0.03428%0.275CS..BIsolated β-bridgetrans-130.1162.5175.468.8-176.9-172.8-176.33.9111Y257 Q294 G308 T309 E320 L323Y257-R292 VanDerWaalsContact CB-CD 3.45Å; R292-Q294 PolarHBondContact O-N 2.78Å; R292-Q294 PolarHBondContact O-OE1 3.06Å; R292-G308 CarbonylContact O-C 3.49Å; R292-G308 WeakPolarHBondContact O-CA 3.32Å; R292-T309 VanDerWaalsContact CG-OG1 3.29Å; R292-T309 WeakPolarHBondContact CG-OG1 3.21Å; R292-T309 PolarHBondContact N-O 3.41Å; R292-T309 PolarHBondContact O-N 3.08Å; R292-E320 IonicContact NH1-OE1 3.55Å; R292-E320 IonicContact NH2-OE1 3.61Å; R292-L323 VanDerWaalsContact NH2-CD1 3.3Å
293R97.6Very high96.4Very high44 Ų4441.3 Ų41.317%0.16624%0.242CC..SBendtrans62.822.5172.1-60.1171.1169.6176-6114.4V15 N16 Y32 S241V15-R293 HydrophobicContact CG1-CB 3.46Å; V15-R293 VanDerWaalsContact CG1-CB 3.46Å; V15-R293 HydrophobicContact CG1-CG 4.17Å; N16-R293 HydrophobicContact CB-CB 4.1Å; N16-R293 HydrophobicContact CB-CG 4.22Å; N16-R293 PolarHBondContact N-O 3.42Å; Y32-R293 PolarHBondContact OH-NH1 2.66Å; S241-R293 VanDerWaalsContact CB-CG 3.49Å; S241-R293 PolarHBondContact O-N 3.17Å
294Q97.8Very high96.4Very high9 Ų940 Ų404%0.04223%0.233CC..  trans-81.8156.4169.773.2-68.2-22.800111.6S243 F254 R291 R292 L305 G307S243-Q294 VanDerWaalsContact OG-CG 3.31Å; S243-Q294 WeakPolarHBondContact OG-CG 3.17Å; S243-Q294 PolarHBondContact OG-NE2 2.78Å; S243-Q294 PolarHBondContact OG-O 3.39Å; F254-Q294 PolarHBondContact O-NE2 2.9Å; F254-Q294 VanDerWaalsContact O-NE2 3.13Å; R291-Q294 HydrophobicContact CG-CG 4.37Å; R291-Q294 PolarHBondContact O-OE1 3.38Å; R292-Q294 PolarHBondContact O-N 2.78Å; R292-Q294 PolarHBondContact O-OE1 3.06Å; Q294-L305 HydrophobicContact CG-CD1 4.15Å; Q294-L305 HydrophobicContact CG-CD2 4.2Å; Q294-L305 HydrophobicContact CG-CG 4.11Å; Q294-G307 WeakPolarHBondContact CB-O 3.4Å
295C97.3Very high96.5Very high18 Ų1835.4 Ų35.412%0.12221%0.213CC..EExtended strand (participates in β ladder)trans-98.8153.2170-81.20000111.6H17 A19 L305 F306H17-C295 PolarHBondContact CD2-SG 2.85Å; H17-C295 VanDerWaalsContact NE2-CB 3.34Å; H17-C295 WeakPolarHBondContact NE2-CB 3.44Å; H17-C295 PolarHBondContact NE2-SG 2.91Å; H17-C295 VanDerWaalsContact NE2-SG 3.45Å; H17-C295 PolarHBondContact O-SG 2.83Å; A19-C295 HydrophobicContact CB-CB 4.08Å; C295-L305 WeakPolarHBondContact O-CA 3.37Å; C295-F306 HydrophobicContact CB-CE1 4.17Å; C295-F306 HydrophobicContact CB-CZ 4.05Å; C295-F306 PolarHBondContact N-O 2.7Å; C295-F306 PolarHBondContact O-N 2.74Å
296C96.1Very high96.7Very high23 Ų2333.5 Ų33.516%0.15519%0.193CC..EExtended strand (participates in β ladder)trans-133.5139.6166.168.40000110.5S243 F245 I303 V304S243-C296 WeakPolarHBondContact CB-SG 3.2Å; F245-C296 HydrophobicContact CD1-CB 4.46Å; F245-C296 VanDerWaalsContact CD1-SG 3.55Å; C296-I303 HydrophobicContact CB-CG2 3.73Å; C296-V304 CarbonylContact C-O 3.5Å; C296-V304 VanDerWaalsContact CA-O 3.26Å; C296-V304 WeakPolarHBondContact CA-O 3.26Å
297C97.4Very high96.9Very high7 Ų725.5 Ų25.55%0.04716%0.158CC..EExtended strand (participates in β ladder)trans-132.3141174-590000110.4A21 V26 I303 V304A21-C297 HydrophobicContact CB-CB 4.1Å; V26-C297 HydrophobicContact CG1-CB 3.97Å; V26-C297 VanDerWaalsContact CG1-SG 3.59Å; V26-C297 HydrophobicContact CG2-CB 3.93Å; C297-I303 WeakPolarHBondContact O-CA 3.22Å; C297-V304 PolarHBondContact N-O 3.33Å; C297-V304 PolarHBondContact O-N 2.77Å
298I96.6Very high97Very high55 Ų5524.3 Ų24.328%0.28215%0.146SC..EExtended strand (participates in β ladder)trans-84.1126.5173.3-64.8160.8000108.8A21 F245 G246 G300 K302 I303A21-I298 WeakPolarHBondContact CB-O 3.45Å; F245-I298 HydrophobicContact CB-CD1 3.97Å; F245-I298 HydrophobicContact CB-CG1 4.27Å; F245-I298 HydrophobicContact CD2-CD1 4Å; F245-I298 HydrophobicContact CD2-CG1 4.14Å; F245-I298 HydrophobicContact CG-CD1 4.4Å; F245-I298 HydrophobicContact CG-CG1 4.46Å; G246-I298 WeakPolarHBondContact O-CD1 3.37Å; I298-G300 WeakPolarHBondContact CG2-O 3.34Å; I298-K302 CarbonylContact C-O 3.57Å; I298-K302 WeakPolarHBondContact CA-O 3.13Å; I298-I303 HydrophobicContact CB-CD1 4.28Å; I298-I303 HydrophobicContact CD1-CD1 4.37Å; I298-I303 HydrophobicContact CG1-CD1 3.32Å
299V96.9Very high96.9Very high17 Ų1724 Ų2410%0.10314%0.144CC..EExtended strand (participates in β ladder)trans-127.9101.3172.6-1780000108A21 V26 A51 D301 K302 V304A21-V299 HydrophobicContact CB-CG2 3.98Å; V26-V299 HydrophobicContact CG2-CG2 3.55Å; A51-V299 HydrophobicContact CB-CB 4.46Å; A51-V299 HydrophobicContact CB-CG1 3.76Å; V299-D301 PolarHBondContact O-N 3.05Å; V299-K302 PolarHBondContact N-O 3.47Å; V299-K302 PolarHBondContact O-N 3.01Å; V299-V304 HydrophobicContact CB-CG2 4.49Å; V299-V304 HydrophobicContact CG2-CG2 4.04Å
300G93.9Very high96.9Very high61 Ų6122.1 Ų22.163%0.62913%0.131SC*.THydrogen-bonded Turntrans60.1-126.2-168.200000110.9I298 K302I298-G300 WeakPolarHBondContact CG2-O 3.34Å; G300-K302 VanDerWaalsContact C-N 3.31Å; G300-K302 PolarHBondContact O-N 3.27Å
301D93.8Very high96.6Very high85 Ų8522.7 Ų22.746%0.45514%0.135SC..THydrogen-bonded Turntrans-92.921.3177.8-66.2-50.6000114.2Y247 V299 F334Y247-D301 WeakPolarHBondContact CE2-OD1 3.26Å; Y247-D301 PolarHBondContact OH-OD1 2.85Å; V299-D301 PolarHBondContact O-N 3.05Å; D301-F334 PolarHBondContact O-N 3.31Å; D301-F334 VanDerWaalsContact O-N 3.14Å
302K97.3Very high95.9Very high69 Ų6924.4 Ų24.430%0.315%0.147SC..EExtended strand (participates in β ladder)trans-125.1143.6-174.6-66.9167.9-178.3-75.70111.3I298 V299 G300 I331 L332 D333I298-K302 CarbonylContact C-O 3.57Å; I298-K302 WeakPolarHBondContact CA-O 3.13Å; V299-K302 PolarHBondContact N-O 3.47Å; V299-K302 PolarHBondContact O-N 3.01Å; G300-K302 VanDerWaalsContact C-N 3.31Å; G300-K302 PolarHBondContact O-N 3.27Å; K302-I331 HydrophobicContact CB-CG2 3.86Å; K302-I331 HydrophobicContact CD-CG2 4.02Å; K302-I331 HydrophobicContact CG-CG2 4.05Å; K302-L332 CarbonylContact C-O 3.54Å; K302-L332 VanDerWaalsContact CA-O 3.27Å; K302-L332 WeakPolarHBondContact CA-O 3.43Å; K302-D333 HydrophobicContact CG-CB 4.33Å; K302-D333 IonicContact NZ-OD2 3.58Å; K302-D333 PolarHBondContact NZ-OD2 2.86Å
303I97.9Very high94.7Very high3 Ų329.4 Ų29.42%0.01518%0.181CC..EExtended strand (participates in β ladder)trans-98.5125.1166.7-50.7-58.9000108.6F245 C296 C297 I298 I331 L332 F334F245-I303 HydrophobicContact CD1-CD1 4.29Å; F245-I303 HydrophobicContact CD2-CD1 3.45Å; F245-I303 VanDerWaalsContact CD2-CD1 3.45Å; F245-I303 HydrophobicContact CD2-CG1 4.29Å; F245-I303 HydrophobicContact CE1-CD1 4.18Å; F245-I303 HydrophobicContact CE1-CG1 4.13Å; F245-I303 HydrophobicContact CE1-CG2 4.3Å; F245-I303 HydrophobicContact CE2-CD1 3.32Å; F245-I303 HydrophobicContact CE2-CG1 3.69Å; F245-I303 HydrophobicContact CG-CD1 3.94Å; F245-I303 HydrophobicContact CZ-CD1 3.71Å; F245-I303 HydrophobicContact CZ-CG1 3.59Å; C296-I303 HydrophobicContact CB-CG2 3.73Å; C297-I303 WeakPolarHBondContact O-CA 3.22Å; I298-I303 HydrophobicContact CB-CD1 4.28Å; I298-I303 HydrophobicContact CD1-CD1 4.37Å; I298-I303 HydrophobicContact CG1-CD1 3.32Å; I303-I331 CarbonylContact O-C 3.56Å; I303-I331 VanDerWaalsContact O-CA 3.26Å; I303-I331 WeakPolarHBondContact O-CA 3.41Å; I303-L332 HydrophobicContact CB-CB 4.08Å; I303-L332 HydrophobicContact CG1-CB 4.43Å; I303-L332 HydrophobicContact CG1-CD2 4.46Å; I303-L332 PolarHBondContact N-O 3.08Å; I303-L332 PolarHBondContact O-N 2.89Å; I303-F334 HydrophobicContact CD1-CE2 4.01Å; I303-F334 HydrophobicContact CG1-CE2 3.68Å
304V98.4Very high93.1Very high1 Ų135.1 Ų35.11%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-95113.9166.3-175.70000107.4V26 F49 C296 C297 V299 F306 L329V26-V304 HydrophobicContact CG2-CB 4.34Å; V26-V304 HydrophobicContact CG2-CG2 4.33Å; F49-V304 HydrophobicContact CD1-CG1 3.93Å; F49-V304 HydrophobicContact CD1-CG2 4.31Å; F49-V304 HydrophobicContact CE1-CG1 3.91Å; F49-V304 HydrophobicContact CE1-CG2 3.99Å; C296-V304 CarbonylContact C-O 3.5Å; C296-V304 VanDerWaalsContact CA-O 3.26Å; C296-V304 WeakPolarHBondContact CA-O 3.26Å; C297-V304 PolarHBondContact N-O 3.33Å; C297-V304 PolarHBondContact O-N 2.77Å; V299-V304 HydrophobicContact CB-CG2 4.49Å; V299-V304 HydrophobicContact CG2-CG2 4.04Å; V304-F306 HydrophobicContact CG1-CD1 4.1Å; V304-L329 HydrophobicContact CG1-CD1 3.59Å; V304-L329 HydrophobicContact CG1-CG 4.03Å
305L98.4Very high90.7Very high2 Ų244.5 Ų44.51%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-113.9131.5177.1-178.7153.9000109.5W4 F254 P288 Q294 C295 L329 H330W4-L305 HydrophobicContact CH2-CD1 4.32Å; F254-L305 HydrophobicContact CD1-CD1 3.33Å; F254-L305 HydrophobicContact CE1-CD1 3.52Å; F254-L305 HydrophobicContact CG-CD1 3.99Å; F254-L305 HydrophobicContact CZ-CD1 4.3Å; P288-L305 HydrophobicContact CB-CD2 4.15Å; P288-L305 HydrophobicContact CG-CD1 4.26Å; P288-L305 HydrophobicContact CG-CD2 3.69Å; Q294-L305 HydrophobicContact CG-CD1 4.15Å; Q294-L305 HydrophobicContact CG-CD2 4.2Å; Q294-L305 HydrophobicContact CG-CG 4.11Å; C295-L305 WeakPolarHBondContact O-CA 3.37Å; L305-L329 CarbonylContact O-C 3.55Å; L305-L329 WeakPolarHBondContact O-CA 3.3Å; L305-H330 PolarHBondContact N-O 2.78Å; L305-H330 PolarHBondContact O-N 2.83Å
306F98.3Very high88.4Confident2 Ų245.6 Ų45.61%0.00927%0.267CS..EExtended strand (participates in β ladder)trans-155.2158.3-178.462.3-79.8000112.4P12 H17 A19 V26 W56 C295 V304 D328 L329P12-F306 HydrophobicContact CG-CD2 4.35Å; P12-F306 HydrophobicContact CG-CE2 4.47Å; H17-F306 AromaticContact CD2-CE2 3.73Å; H17-F306 AromaticContact NE2-CD2 3.61Å; H17-F306 AromaticContact NE2-CE2 3.09Å; H17-F306 WeakPolarHBondContact NE2-CE2 3.41Å; H17-F306 AromaticContact NE2-CZ 3.67Å; A19-F306 HydrophobicContact CB-CE1 4.36Å; A19-F306 HydrophobicContact CB-CZ 3.77Å; V26-F306 HydrophobicContact CG1-CE1 3.99Å; V26-F306 HydrophobicContact CG1-CZ 4.24Å; W56-F306 HydrophobicContact CH2-CD1 4.15Å; W56-F306 AromaticContact CH2-CD2 3.74Å; W56-F306 HydrophobicContact CH2-CD2 3.74Å; W56-F306 AromaticContact CH2-CE1 3.97Å; W56-F306 HydrophobicContact CH2-CE1 3.97Å; W56-F306 AromaticContact CH2-CE2 3.52Å; W56-F306 HydrophobicContact CH2-CE2 3.52Å; W56-F306 HydrophobicContact CH2-CG 4.05Å; W56-F306 AromaticContact CH2-CZ 3.66Å; W56-F306 HydrophobicContact CH2-CZ 3.66Å; W56-F306 HydrophobicContact CZ2-CB 4.27Å; W56-F306 HydrophobicContact CZ2-CD1 4.04Å; W56-F306 AromaticContact CZ2-CD2 3.7Å; W56-F306 HydrophobicContact CZ2-CD2 3.7Å; W56-F306 HydrophobicContact CZ2-CE1 4.33Å; W56-F306 HydrophobicContact CZ2-CE2 4.01Å; W56-F306 AromaticContact CZ2-CG 3.73Å; W56-F306 HydrophobicContact CZ2-CG 3.73Å; W56-F306 HydrophobicContact CZ2-CZ 4.32Å; W56-F306 HydrophobicContact CZ3-CE2 4.49Å; C295-F306 HydrophobicContact CB-CE1 4.17Å; C295-F306 HydrophobicContact CB-CZ 4.05Å; C295-F306 PolarHBondContact N-O 2.7Å; C295-F306 PolarHBondContact O-N 2.74Å; V304-F306 HydrophobicContact CG1-CD1 4.1Å; F306-D328 WeakPolarHBondContact CA-O 3.22Å; F306-D328 VanDerWaalsContact CB-O 3.29Å; F306-D328 WeakPolarHBondContact CB-O 2.97Å; F306-L329 HydrophobicContact CB-CB 4.26Å
307G97Very high85.8Confident0 Ų052.6 Ų52.60%030%0.303CS..  trans71-154.9178.900000114.4R14 R291 Q294 H326 D328R14-G307 WeakPolarHBondContact O-CA 3.42Å; R291-G307 PolarHBondContact NH1-O 2.96Å; Q294-G307 WeakPolarHBondContact CB-O 3.4Å; G307-H326 WeakPolarHBondContact CA-O 3.41Å; G307-D328 PolarHBondContact N-O 2.89Å
308G97Very high83.2Confident0 Ų055.9 Ų55.90%034%0.338CS..  trans82.8-176.5-17500000113.7R14 R292 H326R14-G308 PolarHBondContact O-N 3.05Å; R292-G308 CarbonylContact O-C 3.49Å; R292-G308 WeakPolarHBondContact O-CA 3.32Å; G308-H326 PolarHBondContact O-CD2 3.43Å; G308-H326 PolarHBondContact O-N 2.83Å
309T95.8Very high80.9Confident0 Ų059 Ų590%036%0.355CS..EExtended strand (participates in β ladder)trans-125.9145.2-176.152.90000112.6V15 R291 R292 I324 D325V15-T309 HydrophobicContact CB-CG2 4.14Å; V15-T309 HydrophobicContact CG1-CG2 3.56Å; V15-T309 HydrophobicContact CG2-CG2 3.44Å; V15-T309 VanDerWaalsContact CG2-CG2 3.44Å; R291-T309 CarbonylContact C-O 3.47Å; R291-T309 WeakPolarHBondContact CA-O 3.19Å; R291-T309 VanDerWaalsContact CB-O 3.24Å; R291-T309 WeakPolarHBondContact CB-O 3.31Å; R292-T309 VanDerWaalsContact CG-OG1 3.29Å; R292-T309 WeakPolarHBondContact CG-OG1 3.21Å; R292-T309 PolarHBondContact N-O 3.41Å; R292-T309 PolarHBondContact O-N 3.08Å; T309-I324 VanDerWaalsContact CA-O 3.24Å; T309-I324 WeakPolarHBondContact CA-O 3.31Å; T309-D325 WeakPolarHBondContact CG2-OD1 3.39Å
310S94.8Very high78.7Confident7 Ų763.5 Ų63.55%0.04938%0.375CS..EExtended strand (participates in β ladder)trans-128.1164.4167.670.40000111.1P290 L323 I324 H326P290-S310 WeakPolarHBondContact O-CB 3.3Å; S310-L323 CarbonylContact O-C 3.6Å; S310-L323 WeakPolarHBondContact O-CA 3.39Å; S310-L323 WeakPolarHBondContact O-CD2 3.47Å; S310-I324 PolarHBondContact N-O 3.19Å; S310-I324 VanDerWaalsContact N-O 3.11Å; S310-I324 PolarHBondContact O-N 3.32Å; S310-I324 WeakPolarHBondContact OG-CD1 3.35Å; S310-I324 WeakPolarHBondContact OG-CG1 3.23Å; S310-H326 WeakPolarHBondContact CB-NE2 3.25Å; S310-H326 PolarHBondContact OG-NE2 2.88Å
311P90.7Very high76.9Confident62 Ų6269 Ų6940%0.40338%0.382SS..EExtended strand (participates in β ladder)trans-53.9145164.6-23.735.3000111.5H264 D322H264-P311 HydrophobicContact CB-CG 4.49Å; H264-P311 WeakPolarHBondContact ND1-CD 3.33Å; H264-P311 VanDerWaalsContact ND1-CG 3.3Å; H264-P311 WeakPolarHBondContact ND1-CG 3.39Å; P311-D322 CarbonylContact C-O 3.53Å
312S83.5Confident76.1Confident38 Ų3868.2 Ų68.227%0.26638%0.377SS..  trans-66.2139.4168.6-173.60000110.1E314 D322S312-E314 VanDerWaalsContact C-N 3.3Å; S312-E314 PolarHBondContact OG-N 3.42Å; S312-D322 WeakPolarHBondContact CB-O 3.15Å; S312-D322 PolarHBondContact N-O 2.86Å
313P71.4Confident75.7Confident115 Ų11566.6 Ų66.675%0.74737%0.372SS*.SBendtrans-73.8-19.2171.1-14.529.4000113.9
314E65.1Low75.5Confident164 Ų16469.3 Ų69.377%0.76639%0.386SS*.SBendtrans-82.7123.4179.9-65.5-177.3-177.700109.1S312 G316S312-E314 VanDerWaalsContact C-N 3.3Å; S312-E314 PolarHBondContact OG-N 3.42Å; E314-G316 VanDerWaalsContact C-N 3.29Å; E314-G316 PolarHBondContact O-N 3.06Å
315E47.7Very low75.2Confident206 Ų20670.1 Ų70.196%0.96339%0.39SS*.  trans-66.584179.3-70.4-174.7164.700110.8
316G48Very low75.1Confident40 Ų4071.2 Ų71.241%0.41240%0.395SS..  trans-95.4158.1157.300000110.4E314 G318 D322E314-G316 VanDerWaalsContact C-N 3.29Å; E314-G316 PolarHBondContact O-N 3.06Å; G316-G318 PolarHBondContact O-N 3.43Å; G316-D322 VanDerWaalsContact CA-OD2 3.26Å; G316-D322 WeakPolarHBondContact CA-OD2 3.48Å
317L42.3Very low75Confident171 Ų17171.9 Ų71.990%0.89540%0.4SS*.  trans-58.790.3-172.9-73.9144.9000112.7D319L317-D319 PolarHBondContact O-N 2.83Å
318G42.5Very low74.9Confident76 Ų7672.1 Ų72.178%0.78440%0.402SS*.SBendtrans56.15.4132.800000121.3G316G316-G318 PolarHBondContact O-N 3.43Å
319D47.9Very low75Confident120 Ų12072.2 Ų72.264%0.64240%0.402SS*.SBendtrans-113.3162.8-177.8-77.6-22.6000112.7L317 F321 D322L317-D319 PolarHBondContact O-N 2.83Å; D319-F321 HydrophobicContact CB-CD2 3.86Å; D319-F321 PolarHBondContact O-N 3.02Å; D319-D322 PolarHBondContact O-N 3.37Å
320E50.7Low75.1Confident111 Ų11172.5 Ų72.552%0.51940%0.403SS..THydrogen-bonded Turntrans-54.7-1.4177-88.4-158.512700115.1R240 R292R240-E320 IonicContact NH2-OE1 3.8Å; R292-E320 IonicContact NH1-OE1 3.55Å; R292-E320 IonicContact NH2-OE1 3.61Å
321F55.5Low75.3Confident176 Ų17672.4 Ų72.477%0.77240%0.402SS*.THydrogen-bonded Turntrans-92-14.8-174.2-62.8-71.7000114.9D319 L323D319-F321 HydrophobicContact CB-CD2 3.86Å; D319-F321 PolarHBondContact O-N 3.02Å; F321-L323 PolarHBondContact O-N 2.73Å; F321-L323 VanDerWaalsContact O-N 3.08Å
322D77.8Confident75.6Confident69 Ų6969.5 Ų69.537%0.36938%0.383SS..  trans-8957.2176.3-73.7-21.2000111.4P311 S312 G316 D319P311-D322 CarbonylContact C-O 3.53Å; S312-D322 WeakPolarHBondContact CB-O 3.15Å; S312-D322 PolarHBondContact N-O 2.86Å; G316-D322 VanDerWaalsContact CA-OD2 3.26Å; G316-D322 WeakPolarHBondContact CA-OD2 3.48Å; D319-D322 PolarHBondContact O-N 3.37Å
323L89.3Confident76.3Confident36 Ų3668 Ų6819%0.18837%0.372CS..EExtended strand (participates in β ladder)trans-102.9139.5173.9-63.9177.9000111.1R292 S310 F321R292-L323 VanDerWaalsContact NH2-CD1 3.3Å; S310-L323 CarbonylContact O-C 3.6Å; S310-L323 WeakPolarHBondContact O-CA 3.39Å; S310-L323 WeakPolarHBondContact O-CD2 3.47Å; F321-L323 PolarHBondContact O-N 2.73Å; F321-L323 VanDerWaalsContact O-N 3.08Å
324I92.3Very high77.5Confident60 Ų6063.9 Ų63.931%0.30834%0.343SS..EExtended strand (participates in β ladder)trans-103.2132.3170.860.7167.7000110.2T309 S310T309-I324 VanDerWaalsContact CA-O 3.24Å; T309-I324 WeakPolarHBondContact CA-O 3.31Å; S310-I324 PolarHBondContact N-O 3.19Å; S310-I324 VanDerWaalsContact N-O 3.11Å; S310-I324 PolarHBondContact O-N 3.32Å; S310-I324 WeakPolarHBondContact OG-CD1 3.35Å; S310-I324 WeakPolarHBondContact OG-CG1 3.23Å
325D93.9Very high78.9Confident18 Ų1860.1 Ų60.110%0.09633%0.334CS..EExtended strand (participates in β ladder)trans-89.2127.4175.1-57.4-29.1000110.3R13 V15 C33 S34 T309R13-D325 HydrophobicContact CG-CB 3.49Å; R13-D325 VanDerWaalsContact CG-CB 3.49Å; R13-D325 PolarHBondContact NE-O 3.49Å; V15-D325 HydrophobicContact CG2-CB 3.98Å; V15-D325 WeakPolarHBondContact CG2-OD1 3.31Å; C33-D325 WeakPolarHBondContact CA-OD2 3.49Å; S34-D325 WeakPolarHBondContact CA-OD2 3.46Å; S34-D325 WeakPolarHBondContact CB-OD2 3.28Å; S34-D325 PolarHBondContact N-OD2 3.41Å; S34-D325 PolarHBondContact OG-OD1 3.07Å; S34-D325 PolarHBondContact OG-OD2 3.4Å; T309-D325 WeakPolarHBondContact CG2-OD1 3.39Å
326H95.4Very high81.1Confident24 Ų2450.9 Ų50.911%0.11129%0.292CS..PPolyproline II helixtrans-87.9140-174.7-69.4-83.6000112.2R13 C289 G307 G308 S310 D328R13-H326 WeakPolarHBondContact CA-O 3.29Å; C289-H326 VanDerWaalsContact SG-CE1 3.57Å; G307-H326 WeakPolarHBondContact CA-O 3.41Å; G308-H326 PolarHBondContact O-CD2 3.43Å; G308-H326 PolarHBondContact O-N 2.83Å; S310-H326 WeakPolarHBondContact CB-NE2 3.25Å; S310-H326 PolarHBondContact OG-NE2 2.88Å; H326-D328 WeakPolarHBondContact CB-OD1 3.19Å; H326-D328 IonicContact CG-OD1 3.28Å
327S95.6Very high83.4Confident16 Ų1651.8 Ų51.811%0.11229%0.293CS..  trans-108.88.4167.452.40000112.6G10 G11G10-S327 PolarHBondContact N-O 3.49Å; G11-S327 WeakPolarHBondContact CA-O 3.25Å; G11-S327 PolarHBondContact N-O 2.74Å; G11-S327 WeakPolarHBondContact O-CB 3.37Å
328D96.6Very high86Confident6 Ų649.9 Ų49.93%0.03228%0.283CS..  trans-77.9160.8-176.970.3-9.2000111.7L8 E9 R291 F306 G307 H326 H330L8-D328 CarbonylContact O-C 3.52Å; L8-D328 VanDerWaalsContact O-CA 3.22Å; L8-D328 WeakPolarHBondContact O-CA 3.42Å; E9-D328 WeakPolarHBondContact OE1-CB 3.43Å; E9-D328 WeakPolarHBondContact OE2-CB 3.46Å; R291-D328 IonicContact CZ-OD1 3.12Å; R291-D328 IonicContact CZ-OD2 3.62Å; R291-D328 VanDerWaalsContact NH1-CG 3.35Å; R291-D328 IonicContact NH1-OD1 2.65Å; R291-D328 PolarHBondContact NH1-OD1 3Å; R291-D328 IonicContact NH1-OD2 2.75Å; R291-D328 PolarHBondContact NH1-OD2 2.91Å; R291-D328 IonicContact NH2-OD1 3.55Å; R291-D328 IonicContact NH2-OD2 3.53Å; R291-D328 PolarHBondContact NH2-OD2 3.23Å; F306-D328 WeakPolarHBondContact CA-O 3.22Å; F306-D328 VanDerWaalsContact CB-O 3.29Å; F306-D328 WeakPolarHBondContact CB-O 2.97Å; G307-D328 PolarHBondContact N-O 2.89Å; H326-D328 WeakPolarHBondContact CB-OD1 3.19Å; H326-D328 IonicContact CG-OD1 3.28Å; D328-H330 IonicContact OD2-CD2 2.8Å; D328-H330 PolarHBondContact OD2-CD2 3.12Å; D328-H330 IonicContact OD2-CE1 2.67Å; D328-H330 IonicContact OD2-NE2 2.61Å; D328-H330 PolarHBondContact OD2-NE2 3.32Å
329L97.4Very high88.5Confident2 Ų250.3 Ų50.31%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-133.8133.5173.8175.9145.9000108.6V6 H7 L8 F49 W56 V304 L305 F306 I331V6-L329 HydrophobicContact CG1-CD2 4.39Å; H7-L329 VanDerWaalsContact CA-O 3.28Å; H7-L329 WeakPolarHBondContact CA-O 3.41Å; L8-L329 PolarHBondContact N-O 3.43Å; L8-L329 PolarHBondContact O-N 3.42Å; F49-L329 HydrophobicContact CD1-CD1 4.17Å; F49-L329 HydrophobicContact CD2-CD1 3.62Å; F49-L329 HydrophobicContact CE1-CD1 3.95Å; F49-L329 HydrophobicContact CE2-CD1 3.38Å; F49-L329 HydrophobicContact CE2-CD2 4.23Å; F49-L329 HydrophobicContact CE2-CG 4.47Å; F49-L329 HydrophobicContact CG-CD1 4Å; F49-L329 HydrophobicContact CZ-CD1 3.55Å; F49-L329 HydrophobicContact CZ-CD2 3.91Å; F49-L329 HydrophobicContact CZ-CG 4.42Å; W56-L329 HydrophobicContact CZ2-CD1 3.75Å; V304-L329 HydrophobicContact CG1-CD1 3.59Å; V304-L329 HydrophobicContact CG1-CG 4.03Å; L305-L329 CarbonylContact O-C 3.55Å; L305-L329 WeakPolarHBondContact O-CA 3.3Å; F306-L329 HydrophobicContact CB-CB 4.26Å; L329-I331 HydrophobicContact CD2-CD1 4.11Å; L329-I331 HydrophobicContact CD2-CG1 3.73Å
330H98.4Very high90.8Very high5 Ų545.4 Ų45.42%0.02324%0.237CC..EExtended strand (participates in β ladder)trans-122.8137.5176.6-66.4-100.1000110.1W4 V6 H7 P288 L305 D328W4-H330 HydrophobicContact CE3-CB 3.7Å; W4-H330 HydrophobicContact CZ3-CB 3.54Å; V6-H330 CarbonylContact O-C 3.49Å; V6-H330 VanDerWaalsContact O-CA 3.3Å; V6-H330 WeakPolarHBondContact O-CA 3.29Å; H7-H330 AromaticContact CE1-CE1 3.75Å; H7-H330 AromaticContact CE1-NE2 3.74Å; H7-H330 AromaticContact CG-CE1 3.81Å; H7-H330 AromaticContact ND1-CD2 4Å; H7-H330 AromaticContact ND1-CE1 3.1Å; H7-H330 PolarHBondContact ND1-CE1 2.98Å; H7-H330 AromaticContact ND1-ND1 3.73Å; H7-H330 AromaticContact ND1-NE2 3.28Å; H7-H330 PolarHBondContact ND1-NE2 3.33Å; P288-H330 HydrophobicContact CG-CB 3.94Å; L305-H330 PolarHBondContact N-O 2.78Å; L305-H330 PolarHBondContact O-N 2.83Å; D328-H330 IonicContact OD2-CD2 2.8Å; D328-H330 PolarHBondContact OD2-CD2 3.12Å; D328-H330 IonicContact OD2-CE1 2.67Å; D328-H330 IonicContact OD2-NE2 2.61Å; D328-H330 PolarHBondContact OD2-NE2 3.32Å
331I98.4Very high93Very high5 Ų543.3 Ų43.33%0.02623%0.229CC..EExtended strand (participates in β ladder)trans-114113.1173.4-58.1-175.2000110.8W4 T5 V6 F49 L54 K302 I303 L329W4-I331 CarbonylContact C-O 3.54Å; W4-I331 WeakPolarHBondContact CA-O 3.09Å; T5-I331 PolarHBondContact N-O 3.32Å; T5-I331 PolarHBondContact OG1-O 2.93Å; V6-I331 HydrophobicContact CB-CB 3.87Å; V6-I331 HydrophobicContact CB-CD1 4.02Å; V6-I331 HydrophobicContact CB-CG1 3.92Å; V6-I331 HydrophobicContact CG1-CD1 4.35Å; V6-I331 HydrophobicContact CG1-CG1 4.45Å; V6-I331 HydrophobicContact CG2-CB 4.23Å; V6-I331 HydrophobicContact CG2-CD1 4.08Å; V6-I331 HydrophobicContact CG2-CG1 4.41Å; V6-I331 PolarHBondContact O-N 2.83Å; F49-I331 HydrophobicContact CE1-CD1 4.43Å; F49-I331 HydrophobicContact CZ-CD1 4.28Å; L54-I331 HydrophobicContact CD2-CD1 3.48Å; L54-I331 VanDerWaalsContact CD2-CD1 3.48Å; K302-I331 HydrophobicContact CB-CG2 3.86Å; K302-I331 HydrophobicContact CD-CG2 4.02Å; K302-I331 HydrophobicContact CG-CG2 4.05Å; I303-I331 CarbonylContact O-C 3.56Å; I303-I331 VanDerWaalsContact O-CA 3.26Å; I303-I331 WeakPolarHBondContact O-CA 3.41Å; L329-I331 HydrophobicContact CD2-CD1 4.11Å; L329-I331 HydrophobicContact CD2-CG1 3.73Å
332L98.3Very high95Very high2 Ų238.3 Ų38.31%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-88.3120.6169.5-176.262.7000109L2 W4 L268 P283 K302 I303L2-L332 HydrophobicContact CD1-CD1 3.6Å; L2-L332 HydrophobicContact CD1-CD2 3.97Å; L2-L332 HydrophobicContact CD1-CG 3.61Å; L2-L332 HydrophobicContact CG-CD1 3.85Å; L2-L332 HydrophobicContact CG-CG 4.36Å; W4-L332 HydrophobicContact CD2-CB 4.18Å; W4-L332 HydrophobicContact CD2-CD1 3.92Å; W4-L332 HydrophobicContact CE3-CB 3.7Å; W4-L332 HydrophobicContact CE3-CD1 4.32Å; W4-L332 HydrophobicContact CG-CD1 4.22Å; W4-L332 HydrophobicContact CH2-CB 3.91Å; W4-L332 HydrophobicContact CH2-CD2 4.41Å; W4-L332 HydrophobicContact CZ2-CB 4.35Å; W4-L332 HydrophobicContact CZ2-CD1 4.32Å; W4-L332 HydrophobicContact CZ2-CD2 4.34Å; W4-L332 HydrophobicContact CZ3-CB 3.57Å; L268-L332 HydrophobicContact CD2-CD2 3.71Å; P283-L332 HydrophobicContact CB-CD1 3.7Å; P283-L332 HydrophobicContact CG-CD1 3.91Å; K302-L332 CarbonylContact C-O 3.54Å; K302-L332 VanDerWaalsContact CA-O 3.27Å; K302-L332 WeakPolarHBondContact CA-O 3.43Å; I303-L332 HydrophobicContact CB-CB 4.08Å; I303-L332 HydrophobicContact CG1-CB 4.43Å; I303-L332 HydrophobicContact CG1-CD2 4.46Å; I303-L332 PolarHBondContact N-O 3.08Å; I303-L332 PolarHBondContact O-N 2.89Å
333D97.4Very high95.9Very high6 Ų636.1 Ų36.13%0.03220%0.202CC..EExtended strand (participates in β ladder)trans-105.2119.4178.9-170.4-18.1000110L2 R3 T5 K302 S335 P336L2-D333 WeakPolarHBondContact CA-O 3.26Å; L2-D333 WeakPolarHBondContact CD1-O 3.33Å; R3-D333 PolarHBondContact N-O 3.34Å; R3-D333 VanDerWaalsContact N-O 3.09Å; R3-D333 PolarHBondContact O-N 3.13Å; T5-D333 HydrophobicContact CG2-CB 3.47Å; T5-D333 VanDerWaalsContact CG2-CB 3.47Å; K302-D333 HydrophobicContact CG-CB 4.33Å; K302-D333 IonicContact NZ-OD2 3.58Å; K302-D333 PolarHBondContact NZ-OD2 2.86Å; D333-S335 VanDerWaalsContact C-N 3.34Å; D333-S335 PolarHBondContact OD1-N 2.94Å; D333-P336 HydrophobicContact CB-CB 4.32Å; D333-P336 VanDerWaalsContact OD2-CA 3.3Å; D333-P336 WeakPolarHBondContact OD2-CA 3.4Å
334F96.4Very high96.3Very high28 Ų2835.6 Ų35.612%0.12320%0.2CC..SBendtrans-70.8-29.8178.8-81.2-87.2000113L2 F245 Y247 Y252 D301 I303L2-F334 HydrophobicContact CD1-CB 4.28Å; L2-F334 HydrophobicContact CD1-CD1 3.55Å; L2-F334 HydrophobicContact CD1-CD2 4.26Å; L2-F334 HydrophobicContact CD1-CE1 3.8Å; L2-F334 HydrophobicContact CD1-CG 3.78Å; L2-F334 HydrophobicContact CD1-CZ 4.29Å; L2-F334 HydrophobicContact CD2-CE1 4.49Å; F245-F334 HydrophobicContact CE2-CE2 4.06Å; F245-F334 AromaticContact CE2-CZ 3.87Å; F245-F334 HydrophobicContact CE2-CZ 3.87Å; F245-F334 HydrophobicContact CZ-CZ 4.26Å; Y247-F334 AromaticContact CD1-CD1 3.68Å; Y247-F334 HydrophobicContact CD1-CD1 3.68Å; Y247-F334 AromaticContact CD1-CD2 3.98Å; Y247-F334 HydrophobicContact CD1-CD2 3.98Å; Y247-F334 AromaticContact CD1-CE1 3.69Å; Y247-F334 HydrophobicContact CD1-CE1 3.69Å; Y247-F334 AromaticContact CD1-CE2 3.95Å; Y247-F334 HydrophobicContact CD1-CE2 3.95Å; Y247-F334 AromaticContact CD1-CG 3.85Å; Y247-F334 HydrophobicContact CD1-CG 3.85Å; Y247-F334 AromaticContact CD1-CZ 3.83Å; Y247-F334 HydrophobicContact CD1-CZ 3.83Å; Y247-F334 HydrophobicContact CD2-CD2 4.48Å; Y247-F334 HydrophobicContact CE1-CB 3.75Å; Y247-F334 AromaticContact CE1-CD1 3.46Å; Y247-F334 HydrophobicContact CE1-CD1 3.46Å; Y247-F334 VanDerWaalsContact CE1-CD1 3.46Å; Y247-F334 AromaticContact CE1-CD2 3.82Å; Y247-F334 HydrophobicContact CE1-CD2 3.82Å; Y247-F334 AromaticContact CE1-CE1 3.99Å; Y247-F334 HydrophobicContact CE1-CE1 3.99Å; Y247-F334 HydrophobicContact CE1-CE2 4.27Å; Y247-F334 AromaticContact CE1-CG 3.38Å; Y247-F334 HydrophobicContact CE1-CG 3.38Å; Y247-F334 HydrophobicContact CE1-CZ 4.37Å; Y247-F334 HydrophobicContact CE2-CD2 4.36Å; Y247-F334 HydrophobicContact CG-CD2 4.31Å; Y247-F334 HydrophobicContact CG-CE2 4.08Å; Y247-F334 HydrophobicContact CG-CZ 4.22Å; Y247-F334 AromaticContact CZ-CG 3.82Å; Y252-F334 HydrophobicContact CD1-CZ 4.32Å; Y252-F334 AromaticContact CE1-CE1 3.74Å; Y252-F334 HydrophobicContact CE1-CE1 3.74Å; Y252-F334 AromaticContact CE1-CZ 3.93Å; Y252-F334 HydrophobicContact CE1-CZ 3.93Å; Y252-F334 HydrophobicContact CE2-CE1 4.29Å; Y252-F334 HydrophobicContact CE2-CZ 4.28Å; Y252-F334 AromaticContact CZ-CE1 3.58Å; Y252-F334 AromaticContact CZ-CZ 3.9Å; Y252-F334 WeakPolarHBondContact OH-CE1 3.38Å; D301-F334 PolarHBondContact O-N 3.31Å; D301-F334 VanDerWaalsContact O-N 3.14Å; I303-F334 HydrophobicContact CD1-CE2 4.01Å; I303-F334 HydrophobicContact CG1-CE2 3.68Å
335S94.4Very high96.5Very high85 Ų8534.3 Ų34.359%0.59420%0.198SC*.SBendtrans-143.268.3-176.5-168.70000111.5D333 S337D333-S335 VanDerWaalsContact C-N 3.34Å; D333-S335 PolarHBondContact OD1-N 2.94Å; S335-S337 PolarHBondContact O-N 2.65Å
336P95.3Very high96.6Very high12 Ų1234.4 Ų34.48%0.07820%0.199CC..  trans-63.1124.2-179.325.4-34000110.7M1 T5 D333 T340 L341M1-P336 WeakPolarHBondContact O-CD 3.43Å; M1-P336 VanDerWaalsContact O-CG 3.29Å; M1-P336 WeakPolarHBondContact O-CG 3.45Å; T5-P336 HydrophobicContact CG2-CB 4.37Å; D333-P336 HydrophobicContact CB-CB 4.32Å; D333-P336 VanDerWaalsContact OD2-CA 3.3Å; D333-P336 WeakPolarHBondContact OD2-CA 3.4Å; P336-T340 HydrophobicContact CB-CG2 4.06Å; P336-L341 HydrophobicContact CB-CD2 4.11Å; P336-L341 HydrophobicContact CB-CG 4.37Å; P336-L341 HydrophobicContact CG-CD2 4.12Å
337S95.7Very high96.7Very high60 Ų6036.1 Ų36.142%0.4221%0.209SC..  trans-63.1162.1175740000112.1S335 K339 T340 L341S335-S337 PolarHBondContact O-N 2.65Å; S337-K339 PolarHBondContact O-N 2.92Å; S337-K339 PolarHBondContact OG-N 2.64Å; S337-T340 WeakPolarHBondContact O-CA 3.39Å; S337-T340 WeakPolarHBondContact O-CB 3.27Å; S337-T340 PolarHBondContact O-N 3.47Å; S337-T340 PolarHBondContact OG-N 2.9Å; S337-T340 PolarHBondContact OG-OG1 3.45Å; S337-T340 VanDerWaalsContact OG-OG1 3.04Å; S337-L341 WeakPolarHBondContact O-CG 3.3Å; S337-L341 PolarHBondContact O-N 3Å
338L96.4Very high96.6Very high131 Ų13141.4 Ų41.469%0.68623%0.231SC*.Hα-helixtrans-56.2-41.7171.8-178.360.5000111.4T340 L341 C342L338-T340 VanDerWaalsContact C-N 3.31Å; L338-T340 PolarHBondContact O-N 2.69Å; L338-L341 PolarHBondContact O-N 3.15Å; L338-L341 VanDerWaalsContact O-N 3.13Å; L338-C342 PolarHBondContact O-N 2.81Å; L338-C342 PolarHBondContact O-SG 2.91Å
339K96.1Very high96.7Very high84 Ų8448.5 Ų48.537%0.36526%0.259SS..Hα-helixtrans-56.2-44.8174175169.4162.3169.60111.3S337 C342 K343 D359 I360 E363S337-K339 PolarHBondContact O-N 2.92Å; S337-K339 PolarHBondContact OG-N 2.64Å; K339-C342 PolarHBondContact O-N 2.97Å; K339-K343 WeakPolarHBondContact O-CG 3.49Å; K339-K343 PolarHBondContact O-N 3.12Å; K339-K343 VanDerWaalsContact O-N 3.08Å; K339-D359 IonicContact NZ-OD2 2.86Å; K339-D359 PolarHBondContact NZ-OD2 2.8Å; K339-I360 HydrophobicContact CD-CD1 3.89Å; K339-I360 HydrophobicContact CG-CD1 4.26Å; K339-E363 VanDerWaalsContact CE-CD 3.44Å; K339-E363 WeakPolarHBondContact CE-OE1 3.38Å; K339-E363 WeakPolarHBondContact CE-OE2 3.37Å; K339-E363 IonicContact NZ-OE1 3.32Å; K339-E363 PolarHBondContact NZ-OE1 3.11Å; K339-E363 IonicContact NZ-OE2 2.75Å; K339-E363 PolarHBondContact NZ-OE2 2.72Å
340T96.1Very high96.6Very high17 Ų1755 Ų5510%0.10429%0.294CS..Hα-helixtrans-61.3-46.9175.1-560000111.4T5 P336 S337 L338 C342 K343 L344T5-T340 HydrophobicContact CG2-CG2 4.01Å; P336-T340 HydrophobicContact CB-CG2 4.06Å; S337-T340 WeakPolarHBondContact O-CA 3.39Å; S337-T340 WeakPolarHBondContact O-CB 3.27Å; S337-T340 PolarHBondContact O-N 3.47Å; S337-T340 PolarHBondContact OG-N 2.9Å; S337-T340 PolarHBondContact OG-OG1 3.45Å; S337-T340 VanDerWaalsContact OG-OG1 3.04Å; L338-T340 VanDerWaalsContact C-N 3.31Å; L338-T340 PolarHBondContact O-N 2.69Å; T340-C342 PolarHBondContact O-N 3.49Å; T340-K343 PolarHBondContact O-N 3.1Å; T340-L344 WeakPolarHBondContact O-CG 3.49Å; T340-L344 PolarHBondContact O-N 2.73Å
341L96.7Very high96.5Very high68 Ų6858.9 Ų58.936%0.35631%0.314SS..Hα-helixtrans-64.4-39.5-179.1-64.4175.1000112.4P336 S337 L338 L344 A345P336-L341 HydrophobicContact CB-CD2 4.11Å; P336-L341 HydrophobicContact CB-CG 4.37Å; P336-L341 HydrophobicContact CG-CD2 4.12Å; S337-L341 WeakPolarHBondContact O-CG 3.3Å; S337-L341 PolarHBondContact O-N 3Å; L338-L341 PolarHBondContact O-N 3.15Å; L338-L341 VanDerWaalsContact O-N 3.13Å; L341-L344 HydrophobicContact CD2-CD1 4.37Å; L341-L344 PolarHBondContact O-N 3.22Å; L341-A345 PolarHBondContact O-N 3.02Å; L341-A345 VanDerWaalsContact O-N 3.08Å
342C97Very high96.4Very high71 Ų7164 Ų6448%0.4834%0.342SS..Hα-helixtrans-62.5-44.1174-68.40000111.6L338 K339 T340 L344 A345 V346L338-C342 PolarHBondContact O-N 2.81Å; L338-C342 PolarHBondContact O-SG 2.91Å; K339-C342 PolarHBondContact O-N 2.97Å; T340-C342 PolarHBondContact O-N 3.49Å; C342-L344 VanDerWaalsContact C-N 3.31Å; C342-L344 PolarHBondContact O-N 3.21Å; C342-A345 WeakPolarHBondContact O-CB 3.18Å; C342-A345 PolarHBondContact O-N 3.04Å; C342-A345 VanDerWaalsContact O-N 3.13Å; C342-V346 WeakPolarHBondContact O-CG2 3.31Å; C342-V346 PolarHBondContact O-N 3.41Å
343K97.1Very high96.3Very high22 Ų2266.8 Ų66.810%0.09636%0.355CS..Hα-helixtrans-59.7-41.1174.9-73.1-173.2-59.3174.20112.3K339 T340 A345 V346 I347 I360 E363 L364 M367K339-K343 WeakPolarHBondContact O-CG 3.49Å; K339-K343 PolarHBondContact O-N 3.12Å; K339-K343 VanDerWaalsContact O-N 3.08Å; T340-K343 PolarHBondContact O-N 3.1Å; K343-A345 VanDerWaalsContact C-N 3.3Å; K343-A345 PolarHBondContact O-N 2.65Å; K343-V346 PolarHBondContact O-N 3.07Å; K343-I347 WeakPolarHBondContact O-CG1 3.37Å; K343-I347 PolarHBondContact O-N 3.4Å; K343-I360 HydrophobicContact CG-CG2 4.4Å; K343-E363 HydrophobicContact CD-CB 3.96Å; K343-E363 WeakPolarHBondContact CD-OE2 3.46Å; K343-E363 VanDerWaalsContact CE-OE2 3.32Å; K343-E363 WeakPolarHBondContact CE-OE2 3.29Å; K343-E363 IonicContact NZ-OE2 3.79Å; K343-E363 PolarHBondContact NZ-OE2 3.27Å; K343-L364 HydrophobicContact CB-CD2 3.72Å; K343-L364 HydrophobicContact CD-CD2 4.39Å; K343-L364 HydrophobicContact CD-CG 4.41Å; K343-L364 HydrophobicContact CG-CD2 3.91Å; K343-L364 HydrophobicContact CG-CG 4.21Å; K343-M367 HydrophobicContact CB-SD 4.36Å; K343-M367 HydrophobicContact CD-SD 4.12Å
344L96.6Very high96.1Very high26 Ų2670.8 Ų70.814%0.13638%0.383CS..Hα-helixtrans-61.8-38.7175.5-66.7176.6000112.1T5 T340 L341 C342 I347 Q348 M367T5-L344 HydrophobicContact CG2-CD1 4.16Å; T5-L344 VanDerWaalsContact O-CD2 3.23Å; T5-L344 WeakPolarHBondContact O-CD2 3.26Å; T340-L344 WeakPolarHBondContact O-CG 3.49Å; T340-L344 PolarHBondContact O-N 2.73Å; L341-L344 HydrophobicContact CD2-CD1 4.37Å; L341-L344 PolarHBondContact O-N 3.22Å; C342-L344 VanDerWaalsContact C-N 3.31Å; C342-L344 PolarHBondContact O-N 3.21Å; L344-I347 PolarHBondContact O-N 2.82Å; L344-Q348 WeakPolarHBondContact O-CB 3.26Å; L344-Q348 PolarHBondContact O-N 2.74Å; L344-M367 HydrophobicContact CD2-CE 3.76Å
345A96.8Very high96.1Very high33 Ų3374.4 Ų74.427%0.27341%0.411SS..Hα-helixtrans-65.1-43.4174.900000111.6L341 C342 K343 I347 Q348 Y349L341-A345 PolarHBondContact O-N 3.02Å; L341-A345 VanDerWaalsContact O-N 3.08Å; C342-A345 WeakPolarHBondContact O-CB 3.18Å; C342-A345 PolarHBondContact O-N 3.04Å; C342-A345 VanDerWaalsContact O-N 3.13Å; K343-A345 VanDerWaalsContact C-N 3.3Å; K343-A345 PolarHBondContact O-N 2.65Å; A345-I347 VanDerWaalsContact C-N 3.31Å; A345-I347 PolarHBondContact O-N 3.01Å; A345-Q348 PolarHBondContact O-N 2.96Å; A345-Y349 HydrophobicContact CB-CD2 4.24Å; A345-Y349 HydrophobicContact CB-CE2 4.47Å; A345-Y349 WeakPolarHBondContact O-CB 3.44Å; A345-Y349 VanDerWaalsContact O-CD2 3.26Å; A345-Y349 WeakPolarHBondContact O-CD2 3.32Å; A345-Y349 PolarHBondContact O-N 3.33Å
346V97.4Very high96.1Very high20 Ų2072.4 Ų72.412%0.12139%0.393CS..Hα-helixtrans-56-46.2175172.20000111.2C342 K343 N350 L351 Q353 L356 L364C342-V346 WeakPolarHBondContact O-CG2 3.31Å; C342-V346 PolarHBondContact O-N 3.41Å; K343-V346 PolarHBondContact O-N 3.07Å; V346-N350 WeakPolarHBondContact O-CA 3.5Å; V346-N350 PolarHBondContact O-N 2.77Å; V346-N350 VanDerWaalsContact O-N 3.08Å; V346-L351 HydrophobicContact CG1-CB 4.31Å; V346-L351 HydrophobicContact CG2-CD1 4.25Å; V346-L351 PolarHBondContact O-N 2.92Å; V346-Q353 HydrophobicContact CG1-CG 3.85Å; V346-L356 HydrophobicContact CG1-CD1 4.38Å; V346-L364 HydrophobicContact CB-CD2 4.16Å; V346-L364 HydrophobicContact CG1-CD1 3.82Å; V346-L364 HydrophobicContact CG1-CD2 4.06Å
347I96.1Very high96.2Very high59 Ų5975.4 Ų75.430%0.30341%0.413SS..Hα-helixtrans-66.7-49.8177.8-63.7166.7000110.9K343 L344 A345 Y349 N350 L364 M367 T368K343-I347 WeakPolarHBondContact O-CG1 3.37Å; K343-I347 PolarHBondContact O-N 3.4Å; L344-I347 PolarHBondContact O-N 2.82Å; A345-I347 VanDerWaalsContact C-N 3.31Å; A345-I347 PolarHBondContact O-N 3.01Å; I347-Y349 VanDerWaalsContact C-N 3.34Å; I347-Y349 PolarHBondContact O-N 2.82Å; I347-N350 PolarHBondContact O-N 3.08Å; I347-L364 HydrophobicContact CD1-CD2 3.97Å; I347-L364 HydrophobicContact CG1-CD2 3.74Å; I347-M367 HydrophobicContact CD1-CB 4.02Å; I347-M367 HydrophobicContact CD1-CE 4.04Å; I347-M367 HydrophobicContact CD1-SD 4.49Å; I347-T368 HydrophobicContact CD1-CG2 3.79Å; I347-T368 HydrophobicContact CG1-CG2 3.85Å; I347-T368 HydrophobicContact CG2-CG2 4.06Å
348Q95.2Very high96.3Very high127 Ų12778.9 Ų78.959%0.59342%0.422SS*.Hα-helixtrans-63.3-38.4-174.1179.9179-1400112.7L344 A345L344-Q348 WeakPolarHBondContact O-CB 3.26Å; L344-Q348 PolarHBondContact O-N 2.74Å; A345-Q348 PolarHBondContact O-N 2.96Å
349Y96.9Very high96.2Very high156 Ų15676.3 Ų76.361%0.61241%0.409SS*.THydrogen-bonded Turntrans-100.47.3-178.1-62.2-70.4000113.2A345 I347 L351A345-Y349 HydrophobicContact CB-CD2 4.24Å; A345-Y349 HydrophobicContact CB-CE2 4.47Å; A345-Y349 WeakPolarHBondContact O-CB 3.44Å; A345-Y349 VanDerWaalsContact O-CD2 3.26Å; A345-Y349 WeakPolarHBondContact O-CD2 3.32Å; A345-Y349 PolarHBondContact O-N 3.33Å; I347-Y349 VanDerWaalsContact C-N 3.34Å; I347-Y349 PolarHBondContact O-N 2.82Å; Y349-L351 VanDerWaalsContact C-N 3.26Å; Y349-L351 PolarHBondContact O-N 3.22Å
350N95.7Very high96.2Very high139 Ų13973.6 Ų73.674%0.74340%0.398SS*.THydrogen-bonded Turntrans47.746.9-178.5-166.842.7000112.9V346 I347V346-N350 WeakPolarHBondContact O-CA 3.5Å; V346-N350 PolarHBondContact O-N 2.77Å; V346-N350 VanDerWaalsContact O-N 3.08Å; I347-N350 PolarHBondContact O-N 3.08Å
351L97.2Very high96.3Very high86 Ų8677.8 Ų77.845%0.4541%0.412SS..  trans-71.4150.9-176.9-56.3-179.1000110.9V346 Y349 Q353V346-L351 HydrophobicContact CG1-CB 4.31Å; V346-L351 HydrophobicContact CG2-CD1 4.25Å; V346-L351 PolarHBondContact O-N 2.92Å; Y349-L351 VanDerWaalsContact C-N 3.26Å; Y349-L351 PolarHBondContact O-N 3.22Å; L351-Q353 WeakPolarHBondContact O-CG 3.29Å; L351-Q353 PolarHBondContact O-N 3.41Å
352D95.7Very high96.3Very high113 Ų11380.1 Ų80.160%0.60442%0.416SS*.  trans-59.5133.4175.4-179.527000111S354D352-S354 WeakPolarHBondContact OD1-CB 3.43Å; D352-S354 PolarHBondContact OD1-N 3.45Å; D352-S354 PolarHBondContact OD1-OG 3.37Å; D352-S354 PolarHBondContact OD2-OG 3.22Å
353Q95.5Very high96.2Very high60 Ų6078.8 Ų78.828%0.2840%0.403SS..  trans-108-7.5-176-54.7-178.331.100112V346 L351 C355 L356 R361 L364V346-Q353 HydrophobicContact CG1-CG 3.85Å; L351-Q353 WeakPolarHBondContact O-CG 3.29Å; L351-Q353 PolarHBondContact O-N 3.41Å; Q353-C355 VanDerWaalsContact C-N 3.27Å; Q353-C355 PolarHBondContact O-N 3.33Å; Q353-L356 HydrophobicContact CB-CD1 4.03Å; Q353-L356 HydrophobicContact CG-CD1 4.21Å; Q353-L356 WeakPolarHBondContact O-CB 3.34Å; Q353-L356 PolarHBondContact O-N 2.82Å; Q353-R361 VanDerWaalsContact O-CD 3.26Å; Q353-R361 WeakPolarHBondContact O-CD 3.42Å; Q353-L364 HydrophobicContact CG-CD1 4.27Å
354S94.6Very high96.3Very high89 Ų8977.8 Ų77.862%0.62240%0.398SS*.THydrogen-bonded Turntrans-57.7-37.3-171.271.50000113.5D352D352-S354 WeakPolarHBondContact OD1-CB 3.43Å; D352-S354 PolarHBondContact OD1-N 3.45Å; D352-S354 PolarHBondContact OD1-OG 3.37Å; D352-S354 PolarHBondContact OD2-OG 3.22Å
355C94.9Very high96.2Very high105 Ų10580.5 Ų80.571%0.70941%0.413SS*.THydrogen-bonded Turntrans-86.7-4.2-179.662.50000114Q353Q353-C355 VanDerWaalsContact C-N 3.27Å; Q353-C355 PolarHBondContact O-N 3.33Å
356L96.1Very high96.2Very high43 Ų4379.1 Ų79.123%0.22540%0.402CS..SBendtrans-75.7145-177.8-62.7178.9000111.4V346 Q353 I360 R361 L364V346-L356 HydrophobicContact CG1-CD1 4.38Å; Q353-L356 HydrophobicContact CB-CD1 4.03Å; Q353-L356 HydrophobicContact CG-CD1 4.21Å; Q353-L356 WeakPolarHBondContact O-CB 3.34Å; Q353-L356 PolarHBondContact O-N 2.82Å; L356-I360 HydrophobicContact CB-CB 4.48Å; L356-I360 HydrophobicContact CB-CG2 4.39Å; L356-I360 HydrophobicContact CD1-CG2 4.09Å; L356-R361 HydrophobicContact CB-CG 3.83Å; L356-R361 PolarHBondContact O-NE 3.14Å; L356-R361 VanDerWaalsContact O-NE 3.14Å; L356-L364 HydrophobicContact CD1-CD1 3.56Å
357P97Very high96.2Very high75 Ų7578.9 Ų78.949%0.48740%0.4SS..  trans-51.3148.5171.4-2836.3000112.6D359 I360 R361P357-D359 VanDerWaalsContact C-N 3.31Å; P357-D359 WeakPolarHBondContact CB-OD1 3.46Å; P357-D359 PolarHBondContact O-N 2.94Å; P357-I360 HydrophobicContact CB-CG1 4.17Å; P357-I360 HydrophobicContact CG-CG1 4.38Å; P357-I360 PolarHBondContact O-N 3.4Å; P357-I360 VanDerWaalsContact O-N 3.12Å; P357-R361 PolarHBondContact O-N 3.38Å
358H96.2Very high96.1Very high132 Ų13279.3 Ų79.361%0.61141%0.405SS*.Hα-helixtrans-57.8-41-173.8175.6-88.5000113.2R361 W362H358-R361 PolarHBondContact O-N 2.94Å; H358-W362 WeakPolarHBondContact O-CB 3.42Å; H358-W362 PolarHBondContact O-N 3.39Å
359D95.4Very high96.1Very high77 Ų7776.1 Ų76.141%0.41239%0.394SS..Hα-helixtrans-62.7-41.2177.567.2-47.9000111.9K339 P357 W362 E363K339-D359 IonicContact NZ-OD2 2.86Å; K339-D359 PolarHBondContact NZ-OD2 2.8Å; P357-D359 VanDerWaalsContact C-N 3.31Å; P357-D359 WeakPolarHBondContact CB-OD1 3.46Å; P357-D359 PolarHBondContact O-N 2.94Å; D359-W362 PolarHBondContact O-N 2.89Å; D359-E363 WeakPolarHBondContact O-CG 3.49Å; D359-E363 PolarHBondContact O-N 3.02Å
360I96.6Very high96Very high28 Ų2872.8 Ų72.814%0.14439%0.387CS..Hα-helixtrans-65.6-44.9176.2-56.6-57.3000110.9K339 K343 L356 P357 W362 E363 L364K339-I360 HydrophobicContact CD-CD1 3.89Å; K339-I360 HydrophobicContact CG-CD1 4.26Å; K343-I360 HydrophobicContact CG-CG2 4.4Å; L356-I360 HydrophobicContact CB-CB 4.48Å; L356-I360 HydrophobicContact CB-CG2 4.39Å; L356-I360 HydrophobicContact CD1-CG2 4.09Å; P357-I360 HydrophobicContact CB-CG1 4.17Å; P357-I360 HydrophobicContact CG-CG1 4.38Å; P357-I360 PolarHBondContact O-N 3.4Å; P357-I360 VanDerWaalsContact O-N 3.12Å; I360-W362 VanDerWaalsContact C-N 3.3Å; I360-W362 PolarHBondContact O-N 2.91Å; I360-E363 PolarHBondContact O-N 2.76Å; I360-L364 HydrophobicContact CG2-CD1 3.93Å; I360-L364 HydrophobicContact CG2-CG 4.37Å; I360-L364 WeakPolarHBondContact O-CB 3.32Å; I360-L364 VanDerWaalsContact O-CG 3.28Å; I360-L364 WeakPolarHBondContact O-CG 3.31Å; I360-L364 PolarHBondContact O-N 3.04Å
361R96.7Very high95.8Very high105 Ų10566.9 Ų66.940%0.39636%0.357SS..Hα-helixtrans-60.4-41175.3-69.8-170.6-70.8132-4.3111.7Q353 L356 P357 H358 L364 N365Q353-R361 VanDerWaalsContact O-CD 3.26Å; Q353-R361 WeakPolarHBondContact O-CD 3.42Å; L356-R361 HydrophobicContact CB-CG 3.83Å; L356-R361 PolarHBondContact O-NE 3.14Å; L356-R361 VanDerWaalsContact O-NE 3.14Å; P357-R361 PolarHBondContact O-N 3.38Å; H358-R361 PolarHBondContact O-N 2.94Å; R361-L364 PolarHBondContact O-N 2.54Å; R361-N365 WeakPolarHBondContact O-CB 3.2Å; R361-N365 PolarHBondContact O-N 2.7Å
362W96.8Very high95.3Very high116 Ų11669.4 Ų69.444%0.43937%0.371SS..Hα-helixtrans-63.5-46.1176.4-178.191.2000111.7V52 H358 D359 I360 N365 A366V52-W362 HydrophobicContact CG1-CH2 4.35Å; V52-W362 WeakPolarHBondContact O-CH2 3.5Å; H358-W362 WeakPolarHBondContact O-CB 3.42Å; H358-W362 PolarHBondContact O-N 3.39Å; D359-W362 PolarHBondContact O-N 2.89Å; I360-W362 VanDerWaalsContact C-N 3.3Å; I360-W362 PolarHBondContact O-N 2.91Å; W362-N365 PolarHBondContact O-N 3.33Å; W362-A366 WeakPolarHBondContact O-CB 3.29Å; W362-A366 PolarHBondContact O-N 2.54Å
363E96.7Very high94.9Very high44 Ų4466.6 Ų66.621%0.20636%0.355CS..Hα-helixtrans-64.8-39.8177.6-73.1177.5-16300112.3K339 K343 D359 I360 A366 M367K339-E363 VanDerWaalsContact CE-CD 3.44Å; K339-E363 WeakPolarHBondContact CE-OE1 3.38Å; K339-E363 WeakPolarHBondContact CE-OE2 3.37Å; K339-E363 IonicContact NZ-OE1 3.32Å; K339-E363 PolarHBondContact NZ-OE1 3.11Å; K339-E363 IonicContact NZ-OE2 2.75Å; K339-E363 PolarHBondContact NZ-OE2 2.72Å; K343-E363 HydrophobicContact CD-CB 3.96Å; K343-E363 WeakPolarHBondContact CD-OE2 3.46Å; K343-E363 VanDerWaalsContact CE-OE2 3.32Å; K343-E363 WeakPolarHBondContact CE-OE2 3.29Å; K343-E363 IonicContact NZ-OE2 3.79Å; K343-E363 PolarHBondContact NZ-OE2 3.27Å; D359-E363 WeakPolarHBondContact O-CG 3.49Å; D359-E363 PolarHBondContact O-N 3.02Å; I360-E363 PolarHBondContact O-N 2.76Å; E363-A366 WeakPolarHBondContact O-CB 3.4Å; E363-A366 PolarHBondContact O-N 2.84Å; E363-M367 VanDerWaalsContact O-CG 3.24Å; E363-M367 WeakPolarHBondContact O-CG 3.22Å; E363-M367 PolarHBondContact O-N 3.29Å
364L97.3Very high94Very high0 Ų064.7 Ų64.70%035%0.348CS..Hα-helixtrans-60.3-48.1174.1-75.8167.3000110.6K343 V346 I347 Q353 L356 I360 R361 A366 M367 T368K343-L364 HydrophobicContact CB-CD2 3.72Å; K343-L364 HydrophobicContact CD-CD2 4.39Å; K343-L364 HydrophobicContact CD-CG 4.41Å; K343-L364 HydrophobicContact CG-CD2 3.91Å; K343-L364 HydrophobicContact CG-CG 4.21Å; V346-L364 HydrophobicContact CB-CD2 4.16Å; V346-L364 HydrophobicContact CG1-CD1 3.82Å; V346-L364 HydrophobicContact CG1-CD2 4.06Å; I347-L364 HydrophobicContact CD1-CD2 3.97Å; I347-L364 HydrophobicContact CG1-CD2 3.74Å; Q353-L364 HydrophobicContact CG-CD1 4.27Å; L356-L364 HydrophobicContact CD1-CD1 3.56Å; I360-L364 HydrophobicContact CG2-CD1 3.93Å; I360-L364 HydrophobicContact CG2-CG 4.37Å; I360-L364 WeakPolarHBondContact O-CB 3.32Å; I360-L364 VanDerWaalsContact O-CG 3.28Å; I360-L364 WeakPolarHBondContact O-CG 3.31Å; I360-L364 PolarHBondContact O-N 3.04Å; R361-L364 PolarHBondContact O-N 2.54Å; L364-A366 VanDerWaalsContact C-N 3.31Å; L364-A366 PolarHBondContact O-N 3.37Å; L364-M367 PolarHBondContact O-N 2.98Å; L364-M367 VanDerWaalsContact O-N 3.1Å; L364-T368 PolarHBondContact O-N 2.88Å; L364-T368 VanDerWaalsContact O-N 3.13Å; L364-T368 PolarHBondContact O-OG1 3.47Å; L364-T368 VanDerWaalsContact O-OG1 3.05Å
365N96.3Very high92.2Very high83 Ų8370.9 Ų70.944%0.44436%0.358SS..Hα-helixtrans-62.2-37.5176-172.727.9000112.4R55 R361 W362 M367 T368 T369R55-N365 PolarHBondContact NH2-O 2.71Å; R361-N365 WeakPolarHBondContact O-CB 3.2Å; R361-N365 PolarHBondContact O-N 2.7Å; W362-N365 PolarHBondContact O-N 3.33Å; N365-M367 VanDerWaalsContact C-N 3.3Å; N365-M367 PolarHBondContact O-N 3.02Å; N365-T368 PolarHBondContact O-N 3.45Å; N365-T369 VanDerWaalsContact O-CB 3.24Å; N365-T369 WeakPolarHBondContact O-CB 3.34Å; N365-T369 PolarHBondContact O-N 3.15Å; N365-T369 PolarHBondContact O-OG1 2.86Å; N365-T369 PolarHBondContact OD1-OG1 3.32Å
366A96.3Very high89.8Confident5 Ų570.6 Ų70.64%0.04136%0.355CS..Hα-helixtrans-60-42.1173.600000111.4L54 R55 W362 E363 L364 T368L54-A366 HydrophobicContact CB-CB 4.49Å; L54-A366 HydrophobicContact CD1-CB 4.17Å; L54-A366 HydrophobicContact CG-CB 4.45Å; R55-A366 PolarHBondContact NH1-O 3.42Å; W362-A366 WeakPolarHBondContact O-CB 3.29Å; W362-A366 PolarHBondContact O-N 2.54Å; E363-A366 WeakPolarHBondContact O-CB 3.4Å; E363-A366 PolarHBondContact O-N 2.84Å; L364-A366 VanDerWaalsContact C-N 3.31Å; L364-A366 PolarHBondContact O-N 3.37Å; A366-T368 PolarHBondContact O-N 3.1Å
367M96.6Very high87.2Confident14 Ų1474.4 Ų74.47%0.06938%0.375CS..Hα-helixtrans-74.6-17.6-178.3-69.1174.567.600114.7T5 V6 L8 L54 K343 L344 I347 E363 L364 N365T5-M367 VanDerWaalsContact O-CE 3.24Å; T5-M367 WeakPolarHBondContact O-CE 3.14Å; V6-M367 HydrophobicContact CG2-CE 4.07Å; V6-M367 HydrophobicContact CG2-CG 4.06Å; L8-M367 WeakPolarHBondContact CD2-O 3.11Å; L54-M367 HydrophobicContact CD1-CB 4.36Å; L54-M367 HydrophobicContact CD1-CG 3.73Å; K343-M367 HydrophobicContact CB-SD 4.36Å; K343-M367 HydrophobicContact CD-SD 4.12Å; L344-M367 HydrophobicContact CD2-CE 3.76Å; I347-M367 HydrophobicContact CD1-CB 4.02Å; I347-M367 HydrophobicContact CD1-CE 4.04Å; I347-M367 HydrophobicContact CD1-SD 4.49Å; E363-M367 VanDerWaalsContact O-CG 3.24Å; E363-M367 WeakPolarHBondContact O-CG 3.22Å; E363-M367 PolarHBondContact O-N 3.29Å; L364-M367 PolarHBondContact O-N 2.98Å; L364-M367 VanDerWaalsContact O-N 3.1Å; N365-M367 VanDerWaalsContact C-N 3.3Å; N365-M367 PolarHBondContact O-N 3.02Å
368T95.4Very high84.3Confident69 Ų6976.7 Ų76.742%0.42339%0.387SS..Hα-helixtrans-116.5-17.2-175.157.10000114.7I347 L364 N365 A366I347-T368 HydrophobicContact CD1-CG2 3.79Å; I347-T368 HydrophobicContact CG1-CG2 3.85Å; I347-T368 HydrophobicContact CG2-CG2 4.06Å; L364-T368 PolarHBondContact O-N 2.88Å; L364-T368 VanDerWaalsContact O-N 3.13Å; L364-T368 PolarHBondContact O-OG1 3.47Å; L364-T368 VanDerWaalsContact O-OG1 3.05Å; N365-T368 PolarHBondContact O-N 3.45Å; A366-T368 PolarHBondContact O-N 3.1Å
369T95.1Very high81.3Confident59 Ų5975.5 Ų75.536%0.36239%0.393SS..PPolyproline II helixtrans-90.6119.2-180-73.80000111.3L8 R55 N365L8-T369 WeakPolarHBondContact CD2-O 3.46Å; R55-T369 PolarHBondContact NH1-O 2.8Å; R55-T369 PolarHBondContact NH2-O 3.09Å; N365-T369 VanDerWaalsContact O-CB 3.24Å; N365-T369 WeakPolarHBondContact O-CB 3.34Å; N365-T369 PolarHBondContact O-N 3.15Å; N365-T369 PolarHBondContact O-OG1 2.86Å; N365-T369 PolarHBondContact OD1-OG1 3.32Å
370N93.8Very high78.1Confident87 Ų8775.8 Ų75.847%0.46540%0.401SS..PPolyproline II helixtrans-66.2156.9179.3-68.7-28.4000112.8E9E9-N370 HydrophobicContact CB-CB 4.36Å; E9-N370 PolarHBondContact N-OD1 3.26Å; E9-N370 WeakPolarHBondContact O-CB 3.44Å
371S91.1Very high75.1Confident15 Ų1579.9 Ų79.911%0.10543%0.43CS..PPolyproline II helixtrans-80.5167.4168.1-66.10000110.6E9 G10E9-S371 PolarHBondContact O-N 3.35Å; G10-S371 WeakPolarHBondContact CA-O 3.5Å; G10-S371 CarbonylContact O-C 3.59Å; G10-S371 VanDerWaalsContact O-CB 3.32Å; G10-S371 WeakPolarHBondContact O-CB 3.42Å
372N88.1Confident72.1Confident138 Ų13882 Ų8274%0.73844%0.442SS*.  trans-13342178.1-166.415.5000111.5G10G10-N372 PolarHBondContact O-N 3.29Å
373I85.5Confident69Low54 Ų5481.1 Ų81.128%0.27746%0.46SS..SBendtrans-79.7-48.2179.9-65.5-63.1000110.6G10 P12 W56 K58G10-I373 PolarHBondContact O-N 2.79Å; P12-I373 HydrophobicContact CB-CG2 4.5Å; W56-I373 HydrophobicContact CB-CD1 4.23Å; W56-I373 HydrophobicContact CB-CG1 3.54Å; K58-I373 HydrophobicContact CB-CD1 4.41Å
374S78.6Confident65.9Low20 Ų2088 Ų8814%0.1449%0.485CS..SBendtrans-92.8133.8175.3-56.10000109G11 R13G11-S374 WeakPolarHBondContact O-CB 3.5Å; G11-S374 PolarHBondContact O-OG 3.04Å; R13-S374 PolarHBondContact N-OG 3.38Å
375R55.5Low62.9Low219 Ų21993.4 Ų93.483%0.82652%0.52SS*.PPolyproline II helixtrans-65.1142.1169.5-68.2-175.2179.8-176.3-0.1108.7
376P44.5Very low59.9Low100 Ų10096 Ų9665%0.64954%0.539SS*.PPolyproline II helixtrans-52.9144.5167.5-19.930000109.5V378P376-V378 PolarHBondContact O-N 3.33Å
377I42.3Very low57.3Low123 Ų123101.3 Ų101.363%0.63157%0.573SS**PPolyproline II helixtrans-63.2116.1159.6-64.7164.1000103.2R13 S379R13-I377 VanDerWaalsContact NH1-CD1 3.35Å; I377-S379 VanDerWaalsContact C-N 3.33Å; I377-S379 PolarHBondContact O-N 3.22Å
378V35.5Very low54.8Low122 Ų122109.1 Ų109.174%0.73964%0.639SS**  trans-58.1107.9166.3-179.80000104.8P376 S380P376-V378 PolarHBondContact O-N 3.33Å; V378-S380 PolarHBondContact O-N 2.84Å; V378-S380 VanDerWaalsContact O-N 3.07Å
379S34.3Very low52.8Low107 Ų107111.1 Ų111.175%0.74865%0.65SS**  trans-55.6115.4161.450.90000106I377I377-S379 VanDerWaalsContact C-N 3.33Å; I377-S379 PolarHBondContact O-N 3.22Å
380S28.3Very low50.6Low84 Ų84113.8 Ų113.859%0.58767%0.665SS**  trans14.6134169.5-167.70000119.1V378 F382V378-S380 PolarHBondContact O-N 2.84Å; V378-S380 VanDerWaalsContact O-N 3.07Å; S380-F382 PolarHBondContact O-N 2.82Å
381P33Very low48.2Very low113 Ų113115.3 Ų115.373%0.73468%0.676SS**SBendtrans-7767.4177.336.2-35.1000111.5
382F33.8Very low45.6Very low150 Ų150121.2 Ų121.266%0.65871%0.71SS**  trans-143.565.8167.7-71.7-74.8000110.8S380 Y384S380-F382 PolarHBondContact O-N 2.82Å; F382-Y384 HydrophobicContact CD1-CE2 4.07Å
383A30.8Very low43Very low98 Ų98120.2 Ų120.281%0.8171%0.708SS**  trans-104.597.7152.300000106.7
384Y31.7Very low40.1Very low188 Ų188124.6 Ų124.674%0.73774%0.737SS**PPolyproline II helixtrans-60.2140.3167.6-76.4-86.2000109.2F382 V386F382-Y384 HydrophobicContact CD1-CE2 4.07Å; Y384-V386 PolarHBondContact O-N 2.48Å
385P33.5Very low37.4Very low113 Ų113132.1 Ų132.173%0.73478%0.78SS**PPolyproline II helixtrans-67.5130.9175.527.3-31000109.6P387P385-P387 WeakPolarHBondContact O-CD 3.39Å
386V34.7Very low36Very low138 Ų138125.4 Ų125.484%0.83678%0.776SS**PPolyproline II helixtrans-67.5122.3166.7-176.40000107.2Y384Y384-V386 PolarHBondContact O-N 2.48Å
387P40.9Very low35.3Very low117 Ų117127.5 Ų127.576%0.7679%0.786SS**PPolyproline II helixtrans-70.8152.5172.8-8.424.7000110.7P385P385-P387 WeakPolarHBondContact O-CD 3.39Å
388A44.9Very low34.7Very low177 Ų177127.9 Ų127.9100%1.46380%0.801SS**  trans-50.50-173.800000116.1

Retrieved 388 of 388 residues in 752.6 ms (Link to these results)