Z4YN28_MOUSE Loading...

DDB1- and CUL4-associated factor 10

May function as a substrate receptor for CUL4-DDB1 E3 ubiquitin-protein ligase complex.

AlphaFold DB , UniProt , Accession Z4YN28, Species MOUSE (Mus musculus, Mouse), Gene Dcaf10, Length 225 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
1T42Very low79.4Confident193 Ų193104.5 Ų104.5100%1.18451%0.506SS*.  0129.10-32.40000108.1
2R49.9Very low80.3Confident237 Ų237104.6 Ų104.689%0.89451%0.511SS*.  trans-60.7142-179.9-72177.6176.4172.8-1.5109.9L4R2-L4 PolarHBondContact O-N 3.35Å
3F61.1Low80.9Confident175 Ų175101.7 Ų101.777%0.76851%0.506SS*.  trans-53.4103.3-176.3-52.2-83.7000111.4
4L75Confident81.2Confident70 Ų7096.6 Ų96.637%0.36649%0.485SS..  trans-94.6113174.2-173.260.4000109R2 R6 I141R2-L4 PolarHBondContact O-N 3.35Å; L4-R6 VanDerWaalsContact CD2-NH1 3.29Å; L4-I141 HydrophobicContact CD2-CD1 3.42Å; L4-I141 VanDerWaalsContact CD2-CD1 3.42Å; L4-I141 HydrophobicContact CD2-CG1 4.1Å
5M86.8Confident81.7Confident93 Ų9393 Ų9346%0.45847%0.465SS..  trans-109.9143.8172.8-65.1-170176.600109.6S19 V39M5-S19 VanDerWaalsContact CA-O 3.27Å; M5-S19 WeakPolarHBondContact CA-O 3.06Å; M5-V39 HydrophobicContact CE-CG1 4.48Å
6R90.4Very high82.3Confident26 Ų2688.8 Ų88.810%0.09844%0.444CS..EExtended strand (participates in β ladder)trans-123.9145.3171.1-62.2176.2171.569.99.7108.3L4 I18 S19 I79 T80 L82 I141L4-R6 VanDerWaalsContact CD2-NH1 3.29Å; R6-I18 CarbonylContact O-C 3.51Å; R6-I18 VanDerWaalsContact O-CA 3.24Å; R6-I18 WeakPolarHBondContact O-CA 3.22Å; R6-S19 WeakPolarHBondContact CB-OG 3.41Å; R6-S19 PolarHBondContact N-O 3.16Å; R6-S19 PolarHBondContact N-OG 3.14Å; R6-S19 PolarHBondContact O-N 2.62Å; R6-I79 PolarHBondContact NH1-O 2.72Å; R6-T80 PolarHBondContact NE-O 3.09Å; R6-T80 PolarHBondContact NH1-O 3.45Å; R6-T80 PolarHBondContact NH2-O 2.67Å; R6-L82 HydrophobicContact CB-CB 4.04Å; R6-L82 HydrophobicContact CB-CD2 4.24Å; R6-I141 VanDerWaalsContact NH2-CD1 3.26Å; R6-I141 VanDerWaalsContact NH2-CG1 3.3Å
7M93.6Very high83Confident118 Ų11883.5 Ų83.558%0.58142%0.418SS*.EExtended strand (participates in β ladder)trans-133.2149.6174.469.8-179.5-170.600112.1M16 L17 I18M7-M16 HydrophobicContact SD-SD 4.35Å; M7-L17 CarbonylContact C-O 3.55Å; M7-L17 WeakPolarHBondContact CA-O 3.12Å; M7-I18 HydrophobicContact CB-CG1 4.02Å
8R95.4Very high83.5Confident86 Ų8679.6 Ų79.633%0.32540%0.398SS..EExtended strand (participates in β ladder)trans-141.9143.2173.4-66.2-66.4178.6-104.31.3110M16 L17 L82 L84R8-M16 WeakPolarHBondContact O-CA 3.41Å; R8-L17 PolarHBondContact N-O 3.29Å; R8-L17 PolarHBondContact O-N 3.22Å; R8-L82 HydrophobicContact CB-CD2 4.27Å; R8-L82 HydrophobicContact CB-CG 4.41Å; R8-L82 HydrophobicContact CG-CD2 3.98Å; R8-L82 HydrophobicContact CG-CG 3.83Å; R8-L82 PolarHBondContact NE-O 3.41Å; R8-L82 VanDerWaalsContact NE-O 3.07Å; R8-L82 PolarHBondContact NH2-O 2.67Å; R8-L84 HydrophobicContact CB-CD1 3.5Å; R8-L84 VanDerWaalsContact CB-CD1 3.5Å; R8-L84 HydrophobicContact CB-CG 3.83Å
9L94Very high83.9Confident73 Ų7375.4 Ų75.438%0.38238%0.377SS..EExtended strand (participates in β ladder)trans-98.3136.9172.4-70.4172.8000109.5M16 L31 L84L9-M16 HydrophobicContact CD2-CB 3.84Å; L9-M16 HydrophobicContact CD2-CE 3.66Å; L9-M16 HydrophobicContact CD2-CG 4Å; L9-L31 HydrophobicContact CD2-CD2 3.28Å; L9-L84 WeakPolarHBondContact O-CD1 3.25Å
10T92.9Very high84Confident3 Ų371.9 Ų71.92%0.01836%0.36CS..  trans-60.2148.5167.352.60000110.1D12 C13 S14 K15 L84 F110T10-D12 WeakPolarHBondContact CB-OD1 3.11Å; T10-D12 PolarHBondContact O-N 2.98Å; T10-D12 PolarHBondContact OG1-OD1 3.01Å; T10-C13 WeakPolarHBondContact O-CA 3.32Å; T10-C13 PolarHBondContact O-N 2.83Å; T10-S14 PolarHBondContact OG1-N 3.32Å; T10-K15 HydrophobicContact CG2-CB 3.85Å; T10-K15 PolarHBondContact N-O 3.09Å; T10-K15 PolarHBondContact OG1-N 3.47Å; T10-K15 PolarHBondContact OG1-O 3.19Å; T10-L84 HydrophobicContact CG2-CD1 4.13Å; T10-F110 HydrophobicContact CG2-CE2 4.45Å
11P92.3Very high83.5Confident75 Ų7570.5 Ų70.549%0.48736%0.357SS..THydrogen-bonded Turntrans-55.6-34.1-178.3-25.232.4000113.7C13 P86 G88P11-C13 PolarHBondContact O-N 2.56Å; P11-P86 WeakPolarHBondContact CG-O 3.24Å; P11-G88 VanDerWaalsContact CD-CA 3.48Å
12D89.9Confident85.2Confident106 Ų10664.4 Ų64.457%0.56732%0.322SS*.THydrogen-bonded Turntrans-79.2-0.5175.970-13.3000113.7T10 S14T10-D12 WeakPolarHBondContact CB-OD1 3.11Å; T10-D12 PolarHBondContact O-N 2.98Å; T10-D12 PolarHBondContact OG1-OD1 3.01Å; D12-S14 PolarHBondContact O-N 3.13Å; D12-S14 VanDerWaalsContact O-N 3.09Å; D12-S14 PolarHBondContact OD1-N 3.18Å; D12-S14 PolarHBondContact OD1-OG 3.09Å; D12-S14 VanDerWaalsContact OD2-CB 3.25Å; D12-S14 WeakPolarHBondContact OD2-CB 3.37Å; D12-S14 PolarHBondContact OD2-OG 3.29Å
13C88.4Confident86.7Confident67 Ų6753.6 Ų53.645%0.45328%0.284SS..SBendtrans56.915.4-174.9-58.60000115.1T10 P11T10-C13 WeakPolarHBondContact O-CA 3.32Å; T10-C13 PolarHBondContact O-N 2.83Å; P11-C13 PolarHBondContact O-N 2.56Å
14S85.3Confident87.9Confident30 Ų3049.5 Ų49.521%0.2126%0.264CS..SBendtrans-75.6-26.3-178.670.40000113.1T10 D12 E30 L31T10-S14 PolarHBondContact OG1-N 3.32Å; D12-S14 PolarHBondContact O-N 3.13Å; D12-S14 VanDerWaalsContact O-N 3.09Å; D12-S14 PolarHBondContact OD1-N 3.18Å; D12-S14 PolarHBondContact OD1-OG 3.09Å; D12-S14 VanDerWaalsContact OD2-CB 3.25Å; D12-S14 WeakPolarHBondContact OD2-CB 3.37Å; D12-S14 PolarHBondContact OD2-OG 3.29Å; S14-E30 PolarHBondContact O-N 2.75Å; S14-E30 VanDerWaalsContact O-N 3.13Å; S14-L31 PolarHBondContact O-N 3.38Å
15K88.3Confident88.6Confident43 Ų4346.2 Ų46.219%0.18725%0.247CC..EExtended strand (participates in β ladder)trans-135.9150.3-176.1-60170.3-165.468.90112.1T10 I27 L28T10-K15 HydrophobicContact CG2-CB 3.85Å; T10-K15 PolarHBondContact N-O 3.09Å; T10-K15 PolarHBondContact OG1-N 3.47Å; T10-K15 PolarHBondContact OG1-O 3.19Å; K15-I27 HydrophobicContact CB-CG2 4.45Å; K15-L28 CarbonylContact C-O 3.57Å; K15-L28 WeakPolarHBondContact CA-O 3.25Å
16M92.1Very high88.7Confident25 Ų2541.8 Ų41.812%0.12323%0.225CC..EExtended strand (participates in β ladder)trans-122.1128168.7-176.6-171.5-67.300109.6M7 R8 L9 I18 I27 L28 L31 L33M7-M16 HydrophobicContact SD-SD 4.35Å; R8-M16 WeakPolarHBondContact O-CA 3.41Å; L9-M16 HydrophobicContact CD2-CB 3.84Å; L9-M16 HydrophobicContact CD2-CE 3.66Å; L9-M16 HydrophobicContact CD2-CG 4Å; M16-I18 HydrophobicContact CG-CG1 4.11Å; M16-I18 HydrophobicContact SD-CD1 3.92Å; M16-I18 HydrophobicContact SD-CG1 4.04Å; M16-I27 WeakPolarHBondContact O-CA 3.09Å; M16-L28 HydrophobicContact CB-CB 4.19Å; M16-L28 HydrophobicContact CB-CD1 4.17Å; M16-L28 HydrophobicContact CG-CD1 4.44Å; M16-L28 PolarHBondContact N-O 3.18Å; M16-L28 PolarHBondContact O-N 3.34Å; M16-L28 HydrophobicContact SD-CD1 3.91Å; M16-L31 HydrophobicContact CB-CD1 4.11Å; M16-L31 HydrophobicContact CB-CD2 4.21Å; M16-L31 HydrophobicContact CE-CD1 4.05Å; M16-L31 HydrophobicContact CE-CD2 4.12Å; M16-L33 HydrophobicContact CE-CD2 4.19Å
17L93.5Very high88.7Confident0 Ų040.6 Ų40.60%022%0.221CC..EExtended strand (participates in β ladder)trans-99.6132.8173.7-81.770000109M7 R8 L25 L26 I27 L82 L84 T91 F110M7-L17 CarbonylContact C-O 3.55Å; M7-L17 WeakPolarHBondContact CA-O 3.12Å; R8-L17 PolarHBondContact N-O 3.29Å; R8-L17 PolarHBondContact O-N 3.22Å; L17-L25 HydrophobicContact CB-CD1 4.43Å; L17-L25 HydrophobicContact CD2-CD1 4.5Å; L17-L25 HydrophobicContact CD2-CD2 4.29Å; L17-L26 CarbonylContact C-O 3.49Å; L17-L26 WeakPolarHBondContact CA-O 3.35Å; L17-I27 HydrophobicContact CD1-CG2 4.37Å; L17-I27 HydrophobicContact CG-CG1 4.23Å; L17-L82 HydrophobicContact CB-CD1 4.44Å; L17-L82 HydrophobicContact CB-CD2 4.17Å; L17-L82 HydrophobicContact CD2-CD1 4.28Å; L17-L84 HydrophobicContact CD1-CD2 4.22Å; L17-L84 HydrophobicContact CD2-CD2 3.95Å; L17-T91 HydrophobicContact CD2-CG2 3.96Å; L17-F110 HydrophobicContact CD1-CE1 3.95Å; L17-F110 HydrophobicContact CD1-CZ 3.7Å; L17-F110 HydrophobicContact CD2-CE1 4.05Å; L17-F110 HydrophobicContact CD2-CZ 3.76Å; L17-F110 HydrophobicContact CG-CE1 4.47Å; L17-F110 HydrophobicContact CG-CZ 4.34Å
18I92.6Very high88.4Confident13 Ų1335.1 Ų35.17%0.06719%0.194CC..EExtended strand (participates in β ladder)trans-129.7122.2176.5-52.1167.7000108.9R6 M7 M16 L26 L28 V39R6-I18 CarbonylContact O-C 3.51Å; R6-I18 VanDerWaalsContact O-CA 3.24Å; R6-I18 WeakPolarHBondContact O-CA 3.22Å; M7-I18 HydrophobicContact CB-CG1 4.02Å; M16-I18 HydrophobicContact CG-CG1 4.11Å; M16-I18 HydrophobicContact SD-CD1 3.92Å; M16-I18 HydrophobicContact SD-CG1 4.04Å; I18-L26 HydrophobicContact CB-CB 4.12Å; I18-L26 HydrophobicContact CB-CD1 4.46Å; I18-L26 PolarHBondContact N-O 2.95Å; I18-L26 WeakPolarHBondContact O-CB 3.39Å; I18-L26 PolarHBondContact O-N 2.98Å; I18-L28 HydrophobicContact CD1-CD1 3.89Å; I18-V39 HydrophobicContact CD1-CG2 4.07Å
19S91.1Very high88Confident0 Ų031.7 Ų31.70%018%0.182CC..EExtended strand (participates in β ladder)trans-90.9137.9172.270.80000111M5 R6M5-S19 VanDerWaalsContact CA-O 3.27Å; M5-S19 WeakPolarHBondContact CA-O 3.06Å; R6-S19 WeakPolarHBondContact CB-OG 3.41Å; R6-S19 PolarHBondContact N-O 3.16Å; R6-S19 PolarHBondContact N-OG 3.14Å; R6-S19 PolarHBondContact O-N 2.62Å
20T84.8Confident87.4Confident5 Ų533.7 Ų33.73%0.03119%0.189CC..  trans-97.8161173.478.50000111.6S22 G23 Y24 L26T20-S22 PolarHBondContact O-N 2.96Å; T20-S22 PolarHBondContact OG1-N 3.47Å; T20-S22 PolarHBondContact OG1-OG 3.36Å; T20-G23 PolarHBondContact O-N 3.35Å; T20-Y24 PolarHBondContact N-O 2.64Å; T20-Y24 WeakPolarHBondContact OG1-CB 3.15Å; T20-Y24 PolarHBondContact OG1-N 3.48Å; T20-Y24 VanDerWaalsContact OG1-N 3.11Å; T20-Y24 PolarHBondContact OG1-O 3.19Å; T20-L26 HydrophobicContact CG2-CD1 4.01Å; T20-L26 HydrophobicContact CG2-CG 4.11Å
21S74.6Confident86.8Confident42 Ų4234.7 Ų34.729%0.29419%0.194SC..THydrogen-bonded Turntrans-67.8-13.8175.456.90000114.2
22S77.7Confident86.3Confident66 Ų6632.5 Ų32.546%0.46218%0.178SC..THydrogen-bonded Turntrans-96.711177.860.30000112.9T20 Y24T20-S22 PolarHBondContact O-N 2.96Å; T20-S22 PolarHBondContact OG1-N 3.47Å; T20-S22 PolarHBondContact OG1-OG 3.36Å; S22-Y24 WeakPolarHBondContact OG-CD2 3.44Å; S22-Y24 WeakPolarHBondContact OG-CE2 3.49Å
23G81.3Confident85.8Confident9 Ų933.2 Ų33.29%0.09318%0.181CC..SBendtrans85.43.7176.800000115.6T20 P67 N77T20-G23 PolarHBondContact O-N 3.35Å; G23-P67 VanDerWaalsContact O-CD 3.32Å; G23-P67 WeakPolarHBondContact O-CD 3.25Å; G23-N77 WeakPolarHBondContact CA-O 3.49Å; G23-N77 PolarHBondContact N-O 2.8Å
24Y86.8Confident85.4Confident90 Ų9035.8 Ų35.835%0.35320%0.195SC..  trans-78.4146.3174.7-56.8-61000110.6T20 S22 L45 L65T20-Y24 PolarHBondContact N-O 2.64Å; T20-Y24 WeakPolarHBondContact OG1-CB 3.15Å; T20-Y24 PolarHBondContact OG1-N 3.48Å; T20-Y24 VanDerWaalsContact OG1-N 3.11Å; T20-Y24 PolarHBondContact OG1-O 3.19Å; S22-Y24 WeakPolarHBondContact OG-CD2 3.44Å; S22-Y24 WeakPolarHBondContact OG-CE2 3.49Å; Y24-L45 HydrophobicContact CD2-CD2 3.86Å; Y24-L45 HydrophobicContact CE2-CD2 4.37Å; Y24-L65 WeakPolarHBondContact CA-O 2.93Å
25L89.6Confident84.8Confident0 Ų040 Ų400%021%0.21CC..EExtended strand (participates in β ladder)trans-111.6124168-172.268.2000108.7L17 L65 I79 L82 L125L17-L25 HydrophobicContact CB-CD1 4.43Å; L17-L25 HydrophobicContact CD2-CD1 4.5Å; L17-L25 HydrophobicContact CD2-CD2 4.29Å; L25-L65 HydrophobicContact CB-CB 4.46Å; L25-L65 PolarHBondContact N-O 2.97Å; L25-L65 PolarHBondContact O-N 3.02Å; L25-I79 HydrophobicContact CB-CD1 4.26Å; L25-I79 HydrophobicContact CD1-CD1 4.45Å; L25-L82 HydrophobicContact CD1-CD1 4.21Å; L25-L125 HydrophobicContact CD2-CD1 3.32Å
26L89.1Confident84Confident1 Ų144.1 Ų44.11%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-102.1135177-54-179.4000108.3L17 I18 T20 V39 L62 E63 V64L17-L26 CarbonylContact C-O 3.49Å; L17-L26 WeakPolarHBondContact CA-O 3.35Å; I18-L26 HydrophobicContact CB-CB 4.12Å; I18-L26 HydrophobicContact CB-CD1 4.46Å; I18-L26 PolarHBondContact N-O 2.95Å; I18-L26 WeakPolarHBondContact O-CB 3.39Å; I18-L26 PolarHBondContact O-N 2.98Å; T20-L26 HydrophobicContact CG2-CD1 4.01Å; T20-L26 HydrophobicContact CG2-CG 4.11Å; L26-V39 HydrophobicContact CD1-CG1 3.36Å; L26-L62 HydrophobicContact CB-CD1 3.88Å; L26-L62 HydrophobicContact CD2-CD1 4.36Å; L26-E63 CarbonylContact C-O 3.55Å; L26-E63 WeakPolarHBondContact CA-O 3.21Å; L26-V64 HydrophobicContact CD2-CB 4.12Å; L26-V64 HydrophobicContact CD2-CG1 3.81Å; L26-V64 HydrophobicContact CD2-CG2 3.72Å
27I89.2Confident82.8Confident0 Ų045.7 Ų45.70%025%0.253CS..EExtended strand (participates in β ladder)trans-122.6117.9174.7-52179.1000108K15 M16 L17 E63 L65 F110 S124 L125K15-I27 HydrophobicContact CB-CG2 4.45Å; M16-I27 WeakPolarHBondContact O-CA 3.09Å; L17-I27 HydrophobicContact CD1-CG2 4.37Å; L17-I27 HydrophobicContact CG-CG1 4.23Å; I27-E63 HydrophobicContact CB-CB 4.29Å; I27-E63 PolarHBondContact N-O 2.93Å; I27-E63 PolarHBondContact O-N 2.85Å; I27-L65 HydrophobicContact CD1-CD1 3.57Å; I27-L65 HydrophobicContact CG1-CD1 4.36Å; I27-F110 HydrophobicContact CD1-CE1 4.43Å; I27-S124 VanDerWaalsContact CD1-OG 3.24Å; I27-S124 WeakPolarHBondContact CD1-OG 3.27Å; I27-L125 HydrophobicContact CD1-CD1 3.94Å; I27-L125 HydrophobicContact CD1-CG 3.99Å
28L87.8Confident81.7Confident4 Ų452.4 Ų52.42%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-93.5122.5169.7-61.8164.4000107.8K15 M16 I18 L31 L37 S61 L62K15-L28 CarbonylContact C-O 3.57Å; K15-L28 WeakPolarHBondContact CA-O 3.25Å; M16-L28 HydrophobicContact CB-CB 4.19Å; M16-L28 HydrophobicContact CB-CD1 4.17Å; M16-L28 HydrophobicContact CG-CD1 4.44Å; M16-L28 PolarHBondContact N-O 3.18Å; M16-L28 PolarHBondContact O-N 3.34Å; M16-L28 HydrophobicContact SD-CD1 3.91Å; I18-L28 HydrophobicContact CD1-CD1 3.89Å; L28-L31 HydrophobicContact CB-CD1 4.44Å; L28-L37 HydrophobicContact CD1-CD2 3.33Å; L28-L37 HydrophobicContact CD2-CD1 4.42Å; L28-L37 HydrophobicContact CD2-CD2 3.57Å; L28-L37 HydrophobicContact CG-CD2 4.02Å; L28-S61 WeakPolarHBondContact CA-O 3.42Å; L28-L62 HydrophobicContact CD2-CB 4.08Å; L28-L62 HydrophobicContact CD2-CD1 3.69Å; L28-L62 HydrophobicContact CD2-CG 4.48Å; L28-L62 HydrophobicContact CG-CD1 4.32Å
29H86.3Confident80.4Confident13 Ų1353 Ų536%0.0629%0.288CS..EExtended strand (participates in β ladder)trans-102.3160.4174.7-55.4-97.4000110.8L31 N60 S61 E63H29-L31 VanDerWaalsContact C-N 3.34Å; H29-L31 PolarHBondContact O-N 3.03Å; H29-N60 CarbonylContact O-C 3.57Å; H29-N60 VanDerWaalsContact O-CA 3.25Å; H29-N60 WeakPolarHBondContact O-CA 3.49Å; H29-N60 PolarHBondContact O-N 3.42Å; H29-S61 WeakPolarHBondContact CB-OG 3.4Å; H29-S61 PolarHBondContact N-O 3.07Å; H29-S61 PolarHBondContact O-N 2.7Å; H29-E63 IonicContact CD2-OE2 3.83Å; H29-E63 IonicContact CE1-OE2 2.67Å; H29-E63 PolarHBondContact CE1-OE2 3.23Å; H29-E63 IonicContact NE2-OE2 3.36Å; H29-E63 PolarHBondContact NE2-OE2 2.6Å
30E81.8Confident78.9Confident115 Ų11555.5 Ų55.554%0.53731%0.314SS..SBendtrans5551.4177.9-58.2-58.2141.600111.3S14 D32 N60S14-E30 PolarHBondContact O-N 2.75Å; S14-E30 VanDerWaalsContact O-N 3.13Å; E30-D32 PolarHBondContact O-N 2.78Å; E30-N60 PolarHBondContact O-N 3.18Å; E30-N60 VanDerWaalsContact O-N 3.09Å
31L81.4Confident77.3Confident25 Ų2558.5 Ų58.513%0.13134%0.336CS..  trans-62.1128.7-168.4-170.869.7000112L9 S14 M16 L28 H29 L33 N60L9-L31 HydrophobicContact CD2-CD2 3.28Å; S14-L31 PolarHBondContact O-N 3.38Å; M16-L31 HydrophobicContact CB-CD1 4.11Å; M16-L31 HydrophobicContact CB-CD2 4.21Å; M16-L31 HydrophobicContact CE-CD1 4.05Å; M16-L31 HydrophobicContact CE-CD2 4.12Å; L28-L31 HydrophobicContact CB-CD1 4.44Å; H29-L31 VanDerWaalsContact C-N 3.34Å; H29-L31 PolarHBondContact O-N 3.03Å; L31-L33 HydrophobicContact CD1-CD2 4.45Å; L31-L33 HydrophobicContact CD2-CD2 3.67Å; L31-L33 HydrophobicContact CD2-CG 4.02Å; L31-L33 HydrophobicContact CG-CD2 4.06Å; L31-L33 HydrophobicContact CG-CG 4.22Å; L31-N60 WeakPolarHBondContact CA-OD1 3.24Å
32D81.1Confident76.4Confident29 Ų2959.4 Ų59.416%0.15533%0.333CS..  trans-122.5100.7170.8-179.2-2.4000108E30 T34 K35 R59 N60E30-D32 PolarHBondContact O-N 2.78Å; D32-T34 PolarHBondContact O-N 2.95Å; D32-T34 WeakPolarHBondContact OD1-CB 3.41Å; D32-T34 PolarHBondContact OD1-N 2.94Å; D32-T34 VanDerWaalsContact OD1-N 3.09Å; D32-T34 PolarHBondContact OD1-OG1 3.01Å; D32-K35 PolarHBondContact O-N 3.26Å; D32-K35 WeakPolarHBondContact OD2-CE 3.39Å; D32-K35 IonicContact OD2-NZ 3.72Å; D32-R59 HydrophobicContact CB-CB 4.3Å; D32-N60 PolarHBondContact N-OD1 2.79Å; D32-N60 PolarHBondContact O-ND2 3.04Å; D32-N60 VanDerWaalsContact O-ND2 3.16Å
33L79.7Confident74.8Confident120 Ų12060 Ų6063%0.62834%0.335SS*.THydrogen-bonded Turntrans-69.8-7.9-177.5-69.8173.4000113.5M16 L31 K35M16-L33 HydrophobicContact CE-CD2 4.19Å; L31-L33 HydrophobicContact CD1-CD2 4.45Å; L31-L33 HydrophobicContact CD2-CD2 3.67Å; L31-L33 HydrophobicContact CD2-CG 4.02Å; L31-L33 HydrophobicContact CG-CD2 4.06Å; L31-L33 HydrophobicContact CG-CG 4.22Å; L33-K35 VanDerWaalsContact C-N 3.26Å
34T79.6Confident73.4Confident122 Ų12264.6 Ų64.675%0.74836%0.357SS*.THydrogen-bonded Turntrans-80-11.4177.469.80000112.9D32D32-T34 PolarHBondContact O-N 2.95Å; D32-T34 WeakPolarHBondContact OD1-CB 3.41Å; D32-T34 PolarHBondContact OD1-N 2.94Å; D32-T34 VanDerWaalsContact OD1-N 3.09Å; D32-T34 PolarHBondContact OD1-OG1 3.01Å
35K72.8Confident71.7Confident119 Ų11963 Ų6352%0.51735%0.354SS..SBendtrans-108.6126.2-176.9-63-178.6-177.2174.90110.8D32 L33D32-K35 PolarHBondContact O-N 3.26Å; D32-K35 WeakPolarHBondContact OD2-CE 3.39Å; D32-K35 IonicContact OD2-NZ 3.72Å; L33-K35 VanDerWaalsContact C-N 3.26Å
36S70.7Confident69.7Low129 Ų12973 Ų7390%0.90239%0.391SS*.  trans-66.3145.9171.4-59.80000111.4
37L68.4Low67Low57 Ų5776.3 Ų76.330%0.29842%0.419SS..  trans-122123.9179.4-164.176.5000111.7L28 V39 Y42L28-L37 HydrophobicContact CD1-CD2 3.33Å; L28-L37 HydrophobicContact CD2-CD1 4.42Å; L28-L37 HydrophobicContact CD2-CD2 3.57Å; L28-L37 HydrophobicContact CG-CD2 4.02Å; L37-V39 HydrophobicContact CD2-CG2 3.89Å; L37-V39 HydrophobicContact CG-CG2 4.42Å; L37-V39 PolarHBondContact O-N 2.67Å; L37-Y42 HydrophobicContact CD1-CE2 4.16Å; L37-Y42 WeakPolarHBondContact CD1-OH 3.39Å; L37-Y42 HydrophobicContact CD2-CE2 4.32Å; L37-Y42 HydrophobicContact CG-CE2 4.1Å
38E69.4Low64.7Low142 Ų14287.9 Ų87.966%0.66446%0.463SS*.  trans-93.789.5171-69.3-168.1173.300111.3G40 S41 Y42E38-G40 PolarHBondContact O-N 2.88Å; E38-S41 PolarHBondContact O-N 2.89Å; E38-S41 PolarHBondContact OE2-OG 3.1Å; E38-Y42 WeakPolarHBondContact O-CD2 3.48Å; E38-Y42 WeakPolarHBondContact O-CE2 3.37Å
39V65Low62.6Low24 Ų2498.6 Ų98.615%0.14550%0.503CS..G310 helixtrans-59.4-32.3179.5-179.50000112.1M5 I18 L26 L37 S41 Y42 L45M5-V39 HydrophobicContact CE-CG1 4.48Å; I18-V39 HydrophobicContact CD1-CG2 4.07Å; L26-V39 HydrophobicContact CD1-CG1 3.36Å; L37-V39 HydrophobicContact CD2-CG2 3.89Å; L37-V39 HydrophobicContact CG-CG2 4.42Å; L37-V39 PolarHBondContact O-N 2.67Å; V39-S41 VanDerWaalsContact C-N 3.31Å; V39-S41 PolarHBondContact O-N 3.09Å; V39-Y42 WeakPolarHBondContact O-CD2 3.39Å; V39-L45 HydrophobicContact CG1-CD1 4.28Å; V39-L45 VanDerWaalsContact O-CD1 3.24Å; V39-L45 WeakPolarHBondContact O-CD1 3.44Å
40G59.3Low60Low54 Ų54104 Ų10456%0.55754%0.537SS*.G310 helixtrans-74.6-14.5-179.500000115.5E38E38-G40 PolarHBondContact O-N 2.88Å
41S52.6Low58.1Low68 Ų68105.1 Ų105.148%0.47655%0.552SS.*G310 helixtrans-92.3-6-175.1-61.70000112.8E38 V39 P43E38-S41 PolarHBondContact O-N 2.89Å; E38-S41 PolarHBondContact OE2-OG 3.1Å; V39-S41 VanDerWaalsContact C-N 3.31Å; V39-S41 PolarHBondContact O-N 3.09Å; S41-P43 WeakPolarHBondContact O-CD 3.41Å
42Y55.1Low55.8Low61 Ų61109.9 Ų109.924%0.23959%0.587CS.*  trans-69.4119.8179.5-75.4-78.2000111.8L37 E38 V39 I44 L45 L62L37-Y42 HydrophobicContact CD1-CE2 4.16Å; L37-Y42 WeakPolarHBondContact CD1-OH 3.39Å; L37-Y42 HydrophobicContact CD2-CE2 4.32Å; L37-Y42 HydrophobicContact CG-CE2 4.1Å; E38-Y42 WeakPolarHBondContact O-CD2 3.48Å; E38-Y42 WeakPolarHBondContact O-CE2 3.37Å; V39-Y42 WeakPolarHBondContact O-CD2 3.39Å; Y42-I44 PolarHBondContact O-N 3.26Å; Y42-L45 PolarHBondContact O-N 3.03Å; Y42-L62 HydrophobicContact CD1-CD2 3.31Å; Y42-L62 HydrophobicContact CD2-CD2 3.63Å; Y42-L62 HydrophobicContact CE1-CB 4.06Å; Y42-L62 HydrophobicContact CE1-CD2 3.49Å; Y42-L62 VanDerWaalsContact CE1-CD2 3.49Å; Y42-L62 HydrophobicContact CE1-CG 4.41Å; Y42-L62 HydrophobicContact CE2-CD2 3.8Å; Y42-L62 HydrophobicContact CG-CD2 3.37Å
43P44.8Very low54Low78 Ų78114.2 Ų114.251%0.50662%0.62SS.*G310 helixtrans-55.7-30.2-174.5-26.633.5000114.3S41 L45 R46 A47S41-P43 WeakPolarHBondContact O-CD 3.41Å; P43-L45 PolarHBondContact O-N 2.85Å; P43-R46 PolarHBondContact O-N 2.86Å; P43-A47 PolarHBondContact O-N 2.85Å; P43-A47 VanDerWaalsContact O-O 3.13Å
44I50.5Low51.8Low106 Ų106113.9 Ų113.954%0.54463%0.627SS.*G310 helixtrans-63.6-27.9-179.8-59.2173.9000111.9Y42 R46 V64Y42-I44 PolarHBondContact O-N 3.26Å; I44-R46 VanDerWaalsContact C-N 3.31Å; I44-V64 HydrophobicContact CD1-CG2 4.31Å; I44-V64 HydrophobicContact CG2-CB 4.33Å; I44-V64 HydrophobicContact CG2-CG1 4.29Å; I44-V64 HydrophobicContact CG2-CG2 4.19Å
45L51.1Low49.9Very low57 Ų57112.2 Ų112.230%0.29864%0.635SS.*G310 helixtrans-82.3-7.1174.4-64.4173.5000113Y24 V39 Y42 P43Y24-L45 HydrophobicContact CD2-CD2 3.86Å; Y24-L45 HydrophobicContact CE2-CD2 4.37Å; V39-L45 HydrophobicContact CG1-CD1 4.28Å; V39-L45 VanDerWaalsContact O-CD1 3.24Å; V39-L45 WeakPolarHBondContact O-CD1 3.44Å; Y42-L45 PolarHBondContact O-N 3.03Å; P43-L45 PolarHBondContact O-N 2.85Å
46R47.5Very low48.5Very low208 Ų208112.2 Ų112.279%0.78564%0.644SS**THydrogen-bonded Turntrans-109.7-37.5-179.4-82.5-175.8167.2-178.3-2.6114.4P43 I44P43-R46 PolarHBondContact O-N 2.86Å; I44-R46 VanDerWaalsContact C-N 3.31Å
47A33.9Very low47.5Very low71 Ų71110.4 Ų110.459%0.58763%0.632SS**SBendtrans-176.1150.9169.800000111.2P43P43-A47 PolarHBondContact O-N 2.85Å; P43-A47 VanDerWaalsContact O-O 3.13Å
48R39.8Very low47.3Very low243 Ų243111.7 Ų111.792%0.91764%0.643SS**SBendtrans-10.4127166.3-108.8172.5158.6-176.4-5.3117.4
49R44.7Very low47.3Very low230 Ų230112.4 Ų112.487%0.86864%0.64SS**  trans41.5119.5156.8-82.3-177.9169.4168.3-3.1117.2
50T31.4Very low47.9Very low125 Ų125112.1 Ų112.177%0.76764%0.638SS**  -156.7138.6129.231.70000110.7
51T40.5Very low48.9Very low139 Ų139110.6 Ų110.685%0.85362%0.619SS**  trans-84.7134.8171.437.50000108.9
52S34.8Very low50.4Low125 Ų125109.6 Ų109.687%0.87461%0.608SS**  trans-131.9125.2161.160.40000109.7
53S41.7Very low51.8Low121 Ų121107.4 Ų107.485%0.84660%0.6SS**  trans-98.4133.4-17848.20000110.8
54S33.4Very low53.8Low112 Ų112105.6 Ų105.678%0.78359%0.587SS**  trans-155.7138.5151.157.70000109.9V56S54-V56 VanDerWaalsContact C-N 3.3Å; S54-V56 PolarHBondContact O-N 3.1Å
55G40.5Very low55.5Low88 Ų88102 Ų10291%0.90757%0.569SS**SBendtrans-77.543.4-159.300000117.8
56V43.7Very low57.2Low118 Ų118104.4 Ų104.472%0.71559%0.586SS**SBendtrans-137.2124161.5178.20000104.8S54 P58S54-V56 VanDerWaalsContact C-N 3.3Å; S54-V56 PolarHBondContact O-N 3.1Å; V56-P58 WeakPolarHBondContact O-CD 3.21Å
57S48.8Very low59.1Low92 Ų9295.4 Ų95.464%0.64355%0.554SS**  trans-56.3110.4173.8-670000107.6R59S57-R59 PolarHBondContact O-N 3.45Å
58P66.1Low61.6Low83 Ų8396.6 Ų96.654%0.53955%0.548SS..  trans-66.1131.7-174.225.6-31000107.5V56 S61V56-P58 WeakPolarHBondContact O-CD 3.21Å; P58-S61 WeakPolarHBondContact O-CB 3.33Å; P58-S61 PolarHBondContact O-N 2.82Å; P58-S61 VanDerWaalsContact O-N 3.14Å
59R69.3Low63.9Low157 Ų15785.3 Ų85.359%0.59251%0.506SS*.THydrogen-bonded Turntrans-50.5146.4165.1-72.1-155.2-179.6-131.52108.9D32 S57D32-R59 HydrophobicContact CB-CB 4.3Å; S57-R59 PolarHBondContact O-N 3.45Å
60N76.1Confident65.8Low19 Ų1975.3 Ų75.310%0.10247%0.471CS..THydrogen-bonded Turntrans60.939.7-170.3-57.2-21.7000113.1H29 E30 L31 D32 L62H29-N60 CarbonylContact O-C 3.57Å; H29-N60 VanDerWaalsContact O-CA 3.25Å; H29-N60 WeakPolarHBondContact O-CA 3.49Å; H29-N60 PolarHBondContact O-N 3.42Å; E30-N60 PolarHBondContact O-N 3.18Å; E30-N60 VanDerWaalsContact O-N 3.09Å; L31-N60 WeakPolarHBondContact CA-OD1 3.24Å; D32-N60 PolarHBondContact N-OD1 2.79Å; D32-N60 PolarHBondContact O-ND2 3.04Å; D32-N60 VanDerWaalsContact O-ND2 3.16Å; N60-L62 PolarHBondContact O-N 3.46Å
61S80.9Confident67.6Low22 Ų2272.9 Ų72.915%0.15447%0.471CS..EExtended strand (participates in β ladder)trans-65.6127.2175.268.60000110.1L28 H29 P58L28-S61 WeakPolarHBondContact CA-O 3.42Å; H29-S61 WeakPolarHBondContact CB-OG 3.4Å; H29-S61 PolarHBondContact N-O 3.07Å; H29-S61 PolarHBondContact O-N 2.7Å; P58-S61 WeakPolarHBondContact O-CB 3.33Å; P58-S61 PolarHBondContact O-N 2.82Å; P58-S61 VanDerWaalsContact O-N 3.14Å
62L83.6Confident68.8Low46 Ų4666.7 Ų66.724%0.24143%0.432CS..EExtended strand (participates in β ladder)trans-93.8130.5-177.217968.6000111.9L26 L28 Y42 N60 V64L26-L62 HydrophobicContact CB-CD1 3.88Å; L26-L62 HydrophobicContact CD2-CD1 4.36Å; L28-L62 HydrophobicContact CD2-CB 4.08Å; L28-L62 HydrophobicContact CD2-CD1 3.69Å; L28-L62 HydrophobicContact CD2-CG 4.48Å; L28-L62 HydrophobicContact CG-CD1 4.32Å; Y42-L62 HydrophobicContact CD1-CD2 3.31Å; Y42-L62 HydrophobicContact CD2-CD2 3.63Å; Y42-L62 HydrophobicContact CE1-CB 4.06Å; Y42-L62 HydrophobicContact CE1-CD2 3.49Å; Y42-L62 VanDerWaalsContact CE1-CD2 3.49Å; Y42-L62 HydrophobicContact CE1-CG 4.41Å; Y42-L62 HydrophobicContact CE2-CD2 3.8Å; Y42-L62 HydrophobicContact CG-CD2 3.37Å; N60-L62 PolarHBondContact O-N 3.46Å; L62-V64 HydrophobicContact CD2-CG2 4.08Å; L62-V64 HydrophobicContact CG-CG2 4.17Å
63E85.6Confident70Confident15 Ų1570.3 Ų70.37%0.0743%0.427CS..EExtended strand (participates in β ladder)trans-113.4136.5166.5-179.4-178.8164.700109.4L26 I27 H29 L65 R122 S124L26-E63 CarbonylContact C-O 3.55Å; L26-E63 WeakPolarHBondContact CA-O 3.21Å; I27-E63 HydrophobicContact CB-CB 4.29Å; I27-E63 PolarHBondContact N-O 2.93Å; I27-E63 PolarHBondContact O-N 2.85Å; H29-E63 IonicContact CD2-OE2 3.83Å; H29-E63 IonicContact CE1-OE2 2.67Å; H29-E63 PolarHBondContact CE1-OE2 3.23Å; H29-E63 IonicContact NE2-OE2 3.36Å; H29-E63 PolarHBondContact NE2-OE2 2.6Å; E63-L65 HydrophobicContact CG-CD2 4.09Å; E63-L65 HydrophobicContact CG-CG 4.12Å; E63-L65 WeakPolarHBondContact OE1-CD2 3.24Å; E63-R122 VanDerWaalsContact CD-CB 3.42Å; E63-R122 HydrophobicContact CG-CB 4.2Å; E63-R122 WeakPolarHBondContact OE1-CB 3.26Å; E63-R122 WeakPolarHBondContact OE2-CB 3.42Å; E63-S124 VanDerWaalsContact OE1-CB 3.25Å; E63-S124 WeakPolarHBondContact OE1-CB 3.39Å; E63-S124 PolarHBondContact OE1-N 3.47Å; E63-S124 VanDerWaalsContact OE1-N 3.13Å; E63-S124 PolarHBondContact OE1-OG 3.39Å; E63-S124 WeakPolarHBondContact OE2-CB 3.45Å; E63-S124 PolarHBondContact OE2-OG 3.17Å
64V85.9Confident71.1Confident41 Ų4172.3 Ų72.325%0.24843%0.428CS..EExtended strand (participates in β ladder)trans-117123.7179.4-175.20000108.5L26 I44 L62L26-V64 HydrophobicContact CD2-CB 4.12Å; L26-V64 HydrophobicContact CD2-CG1 3.81Å; L26-V64 HydrophobicContact CD2-CG2 3.72Å; I44-V64 HydrophobicContact CD1-CG2 4.31Å; I44-V64 HydrophobicContact CG2-CB 4.33Å; I44-V64 HydrophobicContact CG2-CG1 4.29Å; I44-V64 HydrophobicContact CG2-CG2 4.19Å; L62-V64 HydrophobicContact CD2-CG2 4.08Å; L62-V64 HydrophobicContact CG-CG2 4.17Å
65L86.6Confident72.9Confident29 Ų2973.7 Ų73.715%0.15242%0.416CS..EExtended strand (participates in β ladder)trans-123.7145.6-177.3-61.1176.9000111Y24 L25 I27 E63 L125Y24-L65 WeakPolarHBondContact CA-O 2.93Å; L25-L65 HydrophobicContact CB-CB 4.46Å; L25-L65 PolarHBondContact N-O 2.97Å; L25-L65 PolarHBondContact O-N 3.02Å; I27-L65 HydrophobicContact CD1-CD1 3.57Å; I27-L65 HydrophobicContact CG1-CD1 4.36Å; E63-L65 HydrophobicContact CG-CD2 4.09Å; E63-L65 HydrophobicContact CG-CG 4.12Å; E63-L65 WeakPolarHBondContact OE1-CD2 3.24Å; L65-L125 HydrophobicContact CD1-CB 4.06Å; L65-L125 HydrophobicContact CD1-CD1 3.74Å; L65-L125 HydrophobicContact CD1-CG 3.9Å
66T87Confident74.6Confident109 Ų10970.9 Ų70.967%0.66939%0.387SS*.  trans-104.6101.6162-55.70000106.7E68T66-E68 PolarHBondContact O-N 3.46Å
67P86.4Confident76.6Confident18 Ų1866.2 Ų66.212%0.11736%0.358CS..  trans-63.7133.4-177.725.2-31.4000110.6G23 V69 I79 L93 Y108G23-P67 VanDerWaalsContact O-CD 3.32Å; G23-P67 WeakPolarHBondContact O-CD 3.25Å; P67-V69 PolarHBondContact O-N 2.85Å; P67-I79 HydrophobicContact CG-CD1 4.08Å; P67-L93 HydrophobicContact CB-CD1 4.13Å; P67-L93 HydrophobicContact CG-CD1 4.16Å; P67-Y108 HydrophobicContact CB-CE1 3.97Å; P67-Y108 HydrophobicContact CB-CE2 4.23Å
68E87.9Confident78.5Confident97 Ų9763.4 Ų63.445%0.45334%0.338SS..  trans-69.1125.8175.6-179.9172.8-165.800110.2T66 R73 Y108 L127T66-E68 PolarHBondContact O-N 3.46Å; E68-R73 IonicContact OE1-CZ 3.81Å; E68-R73 IonicContact OE1-NE 2.66Å; E68-R73 IonicContact OE1-NH2 3.94Å; E68-R73 PolarHBondContact OE1-NH2 2.93Å; E68-Y108 PolarHBondContact O-OH 2.91Å; E68-L127 HydrophobicContact CG-CD2 4.36Å
69V86.9Confident79.7Confident6 Ų659.5 Ų59.54%0.03631%0.313CS..  trans-115.8131.5174-178.20000108.2P67 E72 N77 C95 W104P67-V69 PolarHBondContact O-N 2.85Å; V69-E72 HydrophobicContact CG1-CB 4.45Å; V69-E72 PolarHBondContact O-N 2.83Å; V69-N77 HydrophobicContact CG2-CB 4.45Å; V69-C95 HydrophobicContact CG2-CB 4.23Å; V69-W104 HydrophobicContact CG1-CB 3.76Å; V69-W104 HydrophobicContact CG1-CD2 4.46Å; V69-W104 HydrophobicContact CG1-CG 3.68Å
70P84.3Confident80.8Confident20 Ų2052.9 Ų52.913%0.1329%0.29CS..THydrogen-bonded Turntrans-53.9143.4177.5-22.429.8000112.5E72 W104 Y130P70-E72 PolarHBondContact O-N 2.82Å; P70-W104 HydrophobicContact CB-CE3 4.15Å; P70-W104 HydrophobicContact CB-CH2 4.15Å; P70-W104 HydrophobicContact CB-CZ2 4.49Å; P70-W104 HydrophobicContact CB-CZ3 3.96Å; P70-W104 HydrophobicContact CG-CE3 4.11Å; P70-W104 HydrophobicContact CG-CZ3 4.25Å; P70-Y130 HydrophobicContact CB-CD2 4.08Å; P70-Y130 HydrophobicContact CB-CE2 4.18Å; P70-Y130 HydrophobicContact CB-CG 4.38Å; P70-Y130 HydrophobicContact CG-CD1 3.73Å; P70-Y130 HydrophobicContact CG-CD2 3.44Å; P70-Y130 VanDerWaalsContact CG-CD2 3.44Å; P70-Y130 HydrophobicContact CG-CE1 4.21Å; P70-Y130 HydrophobicContact CG-CE2 3.95Å; P70-Y130 HydrophobicContact CG-CG 3.31Å
71G70.3Confident81.7Confident74 Ų7452 Ų5276%0.76329%0.285SS*.THydrogen-bonded Turntrans73.1-11.2174.500000116.2
72E65.8Low82.5Confident9 Ų951 Ų514%0.04228%0.278CS..  trans-125.541-162.7-68.8-70.4126.100113.1V69 P70 D74 R75 N77 Q102V69-E72 HydrophobicContact CG1-CB 4.45Å; V69-E72 PolarHBondContact O-N 2.83Å; P70-E72 PolarHBondContact O-N 2.82Å; E72-D74 VanDerWaalsContact C-N 3.27Å; E72-D74 PolarHBondContact O-N 2.84Å; E72-R75 WeakPolarHBondContact OE1-CD 3.43Å; E72-R75 WeakPolarHBondContact OE2-CB 3.13Å; E72-R75 WeakPolarHBondContact OE2-CD 3.35Å; E72-N77 WeakPolarHBondContact CB-ND2 3.45Å; E72-Q102 PolarHBondContact OE1-NE2 3.29Å; E72-Q102 PolarHBondContact OE1-OE1 3.38Å; E72-Q102 VanDerWaalsContact OE1-OE1 3.05Å
73R60Low83.1Confident201 Ų20149.8 Ų49.876%0.75827%0.271SS*.THydrogen-bonded Turntrans-61.7-31-178.2-76.1-171.6178.7-143.6-5.2113.8E68E68-R73 IonicContact OE1-CZ 3.81Å; E68-R73 IonicContact OE1-NE 2.66Å; E68-R73 IonicContact OE1-NH2 3.94Å; E68-R73 PolarHBondContact OE1-NH2 2.93Å
74D64.1Low83.7Confident163 Ų16350.2 Ų50.287%0.87227%0.274SS*.THydrogen-bonded Turntrans-117.2-9.6-170.6-58.8-43.6000115.2E72E72-D74 VanDerWaalsContact C-N 3.27Å; E72-D74 PolarHBondContact O-N 2.84Å
75R70.5Confident84.2Confident140 Ų14048.3 Ų48.353%0.52826%0.262SS..THydrogen-bonded Turntrans-94.2-18.7-173-74.1-179.6179.7-150.71.9113.8E72 N98 D101E72-R75 WeakPolarHBondContact OE1-CD 3.43Å; E72-R75 WeakPolarHBondContact OE2-CB 3.13Å; E72-R75 WeakPolarHBondContact OE2-CD 3.35Å; R75-N98 PolarHBondContact O-ND2 2.94Å; R75-D101 IonicContact NH1-OD2 3.48Å; R75-D101 PolarHBondContact NH1-OD2 3.17Å
76G78Confident84.7Confident30 Ų3049.4 Ų49.431%0.30927%0.271SS..  trans69.5156.9-177.800000112.9N98G76-N98 VanDerWaalsContact C-ND2 3.33Å; G76-N98 WeakPolarHBondContact CA-ND2 3.45Å; G76-N98 PolarHBondContact O-N 2.89Å; G76-N98 VanDerWaalsContact O-N 3.13Å; G76-N98 PolarHBondContact O-ND2 2.89Å
77N85.4Confident85Confident19 Ų1950 Ų5010%0.10226%0.264CS..EExtended strand (participates in β ladder)trans-139.8157.5-173.1-64.9-81.3000111.1G23 V69 E72 C95 S96 S97G23-N77 WeakPolarHBondContact CA-O 3.49Å; G23-N77 PolarHBondContact N-O 2.8Å; V69-N77 HydrophobicContact CG2-CB 4.45Å; E72-N77 WeakPolarHBondContact CB-ND2 3.45Å; N77-C95 HydrophobicContact CB-CB 4.28Å; N77-S96 CarbonylContact C-O 3.58Å; N77-S96 VanDerWaalsContact CA-O 3.31Å; N77-S96 WeakPolarHBondContact CA-O 3.48Å; N77-S97 WeakPolarHBondContact OD1-CA 3.37Å
78C87.8Confident85.3Confident33 Ų3349.9 Ų49.922%0.22327%0.267CS..EExtended strand (participates in β ladder)trans-109.1131.5169.6-179.10000109.9T80 C95 S96C78-T80 PolarHBondContact O-N 3.23Å; C78-C95 CarbonylContact O-C 3.54Å; C78-C95 WeakPolarHBondContact O-CA 3.43Å; C78-S96 PolarHBondContact N-O 2.67Å; C78-S96 PolarHBondContact O-N 3.01Å
79I91.9Very high85.5Confident2 Ų247.2 Ų47.21%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-79.9104.3175.2-59.7166.7000108.7R6 L25 P67 S81 L93 R94R6-I79 PolarHBondContact NH1-O 2.72Å; L25-I79 HydrophobicContact CB-CD1 4.26Å; L25-I79 HydrophobicContact CD1-CD1 4.45Å; P67-I79 HydrophobicContact CG-CD1 4.08Å; I79-S81 WeakPolarHBondContact CG2-O 3.35Å; I79-L93 HydrophobicContact CD1-CD1 4.19Å; I79-L93 HydrophobicContact CG1-CD1 4.42Å; I79-L93 HydrophobicContact CG2-CD2 4.2Å; I79-R94 CarbonylContact C-O 3.57Å
80T92.1Very high85.9Confident17 Ų1746.9 Ų46.910%0.10425%0.251CS..EExtended strand (participates in β ladder)trans-93.7-11.5-177.156.80000113.5R6 C78 R94 S96 I141R6-T80 PolarHBondContact NE-O 3.09Å; R6-T80 PolarHBondContact NH1-O 3.45Å; R6-T80 PolarHBondContact NH2-O 2.67Å; C78-T80 PolarHBondContact O-N 3.23Å; T80-R94 PolarHBondContact N-O 2.81Å; T80-R94 PolarHBondContact OG1-O 3.36Å; T80-S96 WeakPolarHBondContact CG2-OG 3.47Å; T80-I141 WeakPolarHBondContact O-CG2 3.48Å
81S94.9Very high86.5Confident1 Ų146 Ų461%0.00724%0.244CC..EExtended strand (participates in β ladder)trans-151.8146.2168.7-176.40000110.7I79 L93 R94I79-S81 WeakPolarHBondContact CG2-O 3.35Å; S81-L93 WeakPolarHBondContact O-CA 3.46Å; S81-R94 PolarHBondContact N-O 2.82Å; S81-R94 VanDerWaalsContact N-O 3.15Å; S81-R94 PolarHBondContact O-N 2.8Å
82L96.6Very high87.8Confident0 Ų042.4 Ų42.40%021%0.208CC..EExtended strand (participates in β ladder)trans-137.1121.7179.7175.269.5000109R6 R8 L17 L25 T91 L93R6-L82 HydrophobicContact CB-CB 4.04Å; R6-L82 HydrophobicContact CB-CD2 4.24Å; R8-L82 HydrophobicContact CB-CD2 4.27Å; R8-L82 HydrophobicContact CB-CG 4.41Å; R8-L82 HydrophobicContact CG-CD2 3.98Å; R8-L82 HydrophobicContact CG-CG 3.83Å; R8-L82 PolarHBondContact NE-O 3.41Å; R8-L82 VanDerWaalsContact NE-O 3.07Å; R8-L82 PolarHBondContact NH2-O 2.67Å; L17-L82 HydrophobicContact CB-CD1 4.44Å; L17-L82 HydrophobicContact CB-CD2 4.17Å; L17-L82 HydrophobicContact CD2-CD1 4.28Å; L25-L82 HydrophobicContact CD1-CD1 4.21Å; L82-T91 WeakPolarHBondContact CD1-OG1 3.49Å; L82-L93 HydrophobicContact CB-CD2 4.45Å; L82-L93 HydrophobicContact CD1-CD2 3.26Å; L82-L93 HydrophobicContact CG-CD2 4.43Å
83Q97.6Very high89.3Confident21 Ų2142 Ų4210%0.09821%0.206CC..EExtended strand (participates in β ladder)trans-134.2151.9174.5-56.8-66.7-45.500109.9T91 L92 L144 F146Q83-T91 WeakPolarHBondContact O-CA 3.35Å; Q83-T91 PolarHBondContact O-OG1 3.41Å; Q83-L92 HydrophobicContact CB-CB 4.23Å; Q83-L92 HydrophobicContact CB-CD2 4.31Å; Q83-L92 PolarHBondContact N-O 2.86Å; Q83-L92 PolarHBondContact O-N 3.03Å; Q83-L144 VanDerWaalsContact CG-O 3.26Å; Q83-L144 WeakPolarHBondContact CG-O 3.34Å; Q83-F146 HydrophobicContact CB-CD2 4.5Å
84L97.4Very high91Very high24 Ų2432.4 Ų32.413%0.12617%0.17CC..EExtended strand (participates in β ladder)trans-106.8145.4172.6-74.9169.5000109.8R8 L9 T10 L17 F110 F146R8-L84 HydrophobicContact CB-CD1 3.5Å; R8-L84 VanDerWaalsContact CB-CD1 3.5Å; R8-L84 HydrophobicContact CB-CG 3.83Å; L9-L84 WeakPolarHBondContact O-CD1 3.25Å; T10-L84 HydrophobicContact CG2-CD1 4.13Å; L17-L84 HydrophobicContact CD1-CD2 4.22Å; L17-L84 HydrophobicContact CD2-CD2 3.95Å; L84-F110 HydrophobicContact CD2-CE2 3.87Å; L84-F110 HydrophobicContact CD2-CZ 3.72Å; L84-F146 WeakPolarHBondContact O-CD2 3.24Å
85H97.3Very high92.3Very high1 Ų124.7 Ų24.71%0.00513%0.129CC..  trans-61.1139.2171-173.4-69000109.3K87 G88 W89 A90 F146 G150H85-K87 PolarHBondContact ND1-N 2.75Å; H85-K87 PolarHBondContact O-N 2.88Å; H85-K87 VanDerWaalsContact O-N 3.1Å; H85-G88 PolarHBondContact O-N 3.05Å; H85-W89 AromaticContact CD2-CE2 3.93Å; H85-W89 AromaticContact CD2-CZ2 3.94Å; H85-W89 AromaticContact CD2-NE1 3.69Å; H85-W89 AromaticContact CE1-CE2 3.7Å; H85-W89 AromaticContact CE1-CZ2 3.76Å; H85-W89 AromaticContact CE1-NE1 3.03Å; H85-W89 PolarHBondContact CE1-NE1 3.4Å; H85-W89 AromaticContact CG-CD1 4Å; H85-W89 AromaticContact CG-CE2 3.96Å; H85-W89 AromaticContact CG-NE1 3.32Å; H85-W89 VanDerWaalsContact CG-NE1 3.32Å; H85-W89 AromaticContact ND1-CD1 3.59Å; H85-W89 AromaticContact ND1-CE2 3.79Å; H85-W89 AromaticContact ND1-NE1 2.85Å; H85-W89 PolarHBondContact ND1-NE1 3.4Å; H85-W89 AromaticContact NE2-CE2 3.74Å; H85-W89 AromaticContact NE2-CZ2 3.48Å; H85-W89 WeakPolarHBondContact NE2-CZ2 3.35Å; H85-W89 AromaticContact NE2-NE1 3.51Å; H85-A90 HydrophobicContact CB-CB 3.97Å; H85-A90 WeakPolarHBondContact CB-O 3.47Å; H85-A90 PolarHBondContact N-O 3.04Å; H85-F146 HydrophobicContact CB-CD2 4.42Å; H85-F146 HydrophobicContact CB-CE2 3.99Å; H85-F146 HydrophobicContact CB-CZ 4.18Å; H85-F146 AromaticContact CD2-CE1 3.98Å; H85-G150 WeakPolarHBondContact NE2-CA 3.1Å; H85-G150 PolarHBondContact NE2-O 2.99Å
86P96.2Very high93.3Very high53 Ų5318.5 Ų18.534%0.34411%0.107SC..THydrogen-bonded Turntrans-52.5-34.9-177.7-30.134.4000115.3P11 F146 S147 P148P11-P86 WeakPolarHBondContact CG-O 3.24Å; P86-F146 HydrophobicContact CG-CB 4.24Å; P86-S147 WeakPolarHBondContact CG-O 3.49Å; P86-P148 WeakPolarHBondContact CB-O 3.29Å; P86-P148 WeakPolarHBondContact CG-O 3.43Å
87K94.4Very high93.8Very high120 Ų12017.3 Ų17.352%0.5229%0.094SC..THydrogen-bonded Turntrans-84.3-1.3174.4-57.5172.4-175.1171.20115.4H85 W89 E172H85-K87 PolarHBondContact ND1-N 2.75Å; H85-K87 PolarHBondContact O-N 2.88Å; H85-K87 VanDerWaalsContact O-N 3.1Å; K87-W89 PolarHBondContact O-N 3.32Å; K87-E172 IonicContact NZ-OE1 3.37Å; K87-E172 PolarHBondContact NZ-OE1 3.1Å; K87-E172 IonicContact NZ-OE2 2.72Å; K87-E172 PolarHBondContact NZ-OE2 2.82Å
88G92.4Very high93.8Very high16 Ų1621.5 Ų21.517%0.16512%0.116CC..SBendtrans835.1170.400000119.1P11 H85 F110P11-G88 VanDerWaalsContact CD-CA 3.48Å; H85-G88 PolarHBondContact O-N 3.05Å; G88-F110 WeakPolarHBondContact O-CD2 3.45Å; G88-F110 WeakPolarHBondContact O-CE2 3.37Å
89W91.3Very high93.7Very high41 Ų4124 Ų2416%0.15513%0.13CC..SBendtrans-103.9-2.3-17257.4-67.4000113.5H85 K87 F110 L173 V174H85-W89 AromaticContact CD2-CE2 3.93Å; H85-W89 AromaticContact CD2-CZ2 3.94Å; H85-W89 AromaticContact CD2-NE1 3.69Å; H85-W89 AromaticContact CE1-CE2 3.7Å; H85-W89 AromaticContact CE1-CZ2 3.76Å; H85-W89 AromaticContact CE1-NE1 3.03Å; H85-W89 PolarHBondContact CE1-NE1 3.4Å; H85-W89 AromaticContact CG-CD1 4Å; H85-W89 AromaticContact CG-CE2 3.96Å; H85-W89 AromaticContact CG-NE1 3.32Å; H85-W89 VanDerWaalsContact CG-NE1 3.32Å; H85-W89 AromaticContact ND1-CD1 3.59Å; H85-W89 AromaticContact ND1-CE2 3.79Å; H85-W89 AromaticContact ND1-NE1 2.85Å; H85-W89 PolarHBondContact ND1-NE1 3.4Å; H85-W89 AromaticContact NE2-CE2 3.74Å; H85-W89 AromaticContact NE2-CZ2 3.48Å; H85-W89 WeakPolarHBondContact NE2-CZ2 3.35Å; H85-W89 AromaticContact NE2-NE1 3.51Å; K87-W89 PolarHBondContact O-N 3.32Å; W89-F110 WeakPolarHBondContact O-CD2 3.44Å; W89-F110 PolarHBondContact O-N 3.08Å; W89-L173 HydrophobicContact CE3-CD2 4.03Å; W89-L173 HydrophobicContact CE3-CG 4.31Å; W89-L173 VanDerWaalsContact CH2-CA 3.43Å; W89-L173 HydrophobicContact CH2-CB 3.12Å; W89-L173 HydrophobicContact CH2-CD2 3.74Å; W89-L173 HydrophobicContact CH2-CG 3.47Å; W89-L173 VanDerWaalsContact CH2-CG 3.47Å; W89-L173 HydrophobicContact CZ2-CB 3.87Å; W89-L173 HydrophobicContact CZ2-CD2 4.27Å; W89-L173 HydrophobicContact CZ2-CG 4.36Å; W89-L173 HydrophobicContact CZ3-CB 3.64Å; W89-L173 HydrophobicContact CZ3-CD2 3.55Å; W89-L173 HydrophobicContact CZ3-CG 3.37Å; W89-V174 HydrophobicContact CD2-CG1 4.21Å; W89-V174 HydrophobicContact CE3-CG1 3.43Å; W89-V174 VanDerWaalsContact CE3-CG1 3.43Å; W89-V174 HydrophobicContact CH2-CB 3.82Å; W89-V174 HydrophobicContact CH2-CG1 3.5Å; W89-V174 HydrophobicContact CH2-CG2 3.87Å; W89-V174 HydrophobicContact CZ2-CG1 4.32Å; W89-V174 HydrophobicContact CZ3-CB 3.69Å; W89-V174 HydrophobicContact CZ3-CG1 3.02Å; W89-V174 HydrophobicContact CZ3-CG2 4.25Å
90A95.7Very high93.3Very high0 Ų026.2 Ų26.20%014%0.142CC..EExtended strand (participates in β ladder)trans-145.7159.217400000112H85 V107 Y108 L173H85-A90 HydrophobicContact CB-CB 3.97Å; H85-A90 WeakPolarHBondContact CB-O 3.47Å; H85-A90 PolarHBondContact N-O 3.04Å; A90-V107 HydrophobicContact CB-CG1 4.42Å; A90-Y108 CarbonylContact C-O 3.44Å; A90-Y108 WeakPolarHBondContact CA-O 3.34Å; A90-Y108 VanDerWaalsContact CB-O 3.31Å; A90-Y108 WeakPolarHBondContact CB-O 3.49Å; A90-L173 HydrophobicContact CB-CD2 3.64Å
91T97.1Very high93.1Very high0 Ų028.4 Ų28.40%015%0.153CC..EExtended strand (participates in β ladder)trans-122.8146.5172-173.50000110.5L17 L82 Q83 V107 Y108 L125L17-T91 HydrophobicContact CD2-CG2 3.96Å; L82-T91 WeakPolarHBondContact CD1-OG1 3.49Å; Q83-T91 WeakPolarHBondContact O-CA 3.35Å; Q83-T91 PolarHBondContact O-OG1 3.41Å; T91-V107 WeakPolarHBondContact O-CA 3.36Å; T91-Y108 HydrophobicContact CG2-CD2 4.2Å; T91-Y108 HydrophobicContact CG2-CG 4.45Å; T91-Y108 PolarHBondContact N-O 3.48Å; T91-Y108 PolarHBondContact O-N 3.31Å; T91-L125 HydrophobicContact CG2-CD1 4.12Å; T91-L125 HydrophobicContact CG2-CD2 3.97Å
92L98.1Very high92.9Very high0 Ų030.5 Ų30.50%016%0.163CC..EExtended strand (participates in β ladder)trans-120.7120.1-177.5171.669.8000108.8Q83 T105 C106 V107 L144 F146 I153Q83-L92 HydrophobicContact CB-CB 4.23Å; Q83-L92 HydrophobicContact CB-CD2 4.31Å; Q83-L92 PolarHBondContact N-O 2.86Å; Q83-L92 PolarHBondContact O-N 3.03Å; L92-T105 HydrophobicContact CD1-CG2 3.63Å; L92-C106 WeakPolarHBondContact CA-O 3.1Å; L92-V107 HydrophobicContact CD1-CG2 3.84Å; L92-L144 HydrophobicContact CD1-CD1 3.58Å; L92-L144 HydrophobicContact CD2-CD1 3.54Å; L92-L144 HydrophobicContact CD2-CG 3.85Å; L92-L144 HydrophobicContact CG-CD1 3.52Å; L92-L144 HydrophobicContact CG-CG 4.09Å; L92-F146 HydrophobicContact CB-CD2 4.26Å; L92-F146 HydrophobicContact CB-CE2 3.38Å; L92-F146 HydrophobicContact CB-CZ 3.64Å; L92-F146 HydrophobicContact CD2-CD2 4.02Å; L92-F146 HydrophobicContact CD2-CE1 4.4Å; L92-F146 HydrophobicContact CD2-CE2 3.84Å; L92-F146 HydrophobicContact CD2-CG 4.41Å; L92-F146 HydrophobicContact CD2-CZ 4.05Å; L92-F146 HydrophobicContact CG-CE2 4.25Å; L92-F146 HydrophobicContact CG-CZ 4.35Å; L92-I153 HydrophobicContact CD1-CD1 3.81Å; L92-I153 HydrophobicContact CD1-CG1 4.45Å; L92-I153 HydrophobicContact CD1-CG2 4.44Å; L92-I153 HydrophobicContact CD2-CD1 4.32Å; L92-I153 HydrophobicContact CD2-CG1 4.06Å; L92-I153 HydrophobicContact CD2-CG2 3.84Å
93L96.5Very high92.8Very high0 Ų030.6 Ų30.60%016%0.164CC..EExtended strand (participates in β ladder)trans-113.1143.4-178.7-52.3-170.6000110.2P67 I79 S81 L82 T105 C106 Y108P67-L93 HydrophobicContact CB-CD1 4.13Å; P67-L93 HydrophobicContact CG-CD1 4.16Å; I79-L93 HydrophobicContact CD1-CD1 4.19Å; I79-L93 HydrophobicContact CG1-CD1 4.42Å; I79-L93 HydrophobicContact CG2-CD2 4.2Å; S81-L93 WeakPolarHBondContact O-CA 3.46Å; L82-L93 HydrophobicContact CB-CD2 4.45Å; L82-L93 HydrophobicContact CD1-CD2 3.26Å; L82-L93 HydrophobicContact CG-CD2 4.43Å; L93-T105 CarbonylContact O-C 3.5Å; L93-T105 WeakPolarHBondContact O-CA 3.43Å; L93-C106 PolarHBondContact N-O 2.93Å; L93-C106 PolarHBondContact O-N 3.28Å; L93-Y108 HydrophobicContact CB-CE2 4.27Å; L93-Y108 HydrophobicContact CD1-CD2 3.97Å; L93-Y108 HydrophobicContact CD1-CE2 3.47Å; L93-Y108 VanDerWaalsContact CD1-CE2 3.47Å; L93-Y108 HydrophobicContact CG-CD2 4.03Å; L93-Y108 HydrophobicContact CG-CE2 3.78Å
94R95.4Very high92.7Very high0 Ų030.9 Ų30.90%016%0.164CC..EExtended strand (participates in β ladder)trans-107.7134152.6-164.4172.4-175.4123-8.2108.3I79 T80 S81 E103 W104 E133 K142 L144 S155 P156I79-R94 CarbonylContact C-O 3.57Å; T80-R94 PolarHBondContact N-O 2.81Å; T80-R94 PolarHBondContact OG1-O 3.36Å; S81-R94 PolarHBondContact N-O 2.82Å; S81-R94 VanDerWaalsContact N-O 3.15Å; S81-R94 PolarHBondContact O-N 2.8Å; R94-E103 IonicContact CZ-OE2 2.94Å; R94-E103 VanDerWaalsContact CZ-OE2 3.26Å; R94-E103 IonicContact NE-OE2 3.64Å; R94-E103 PolarHBondContact NE-OE2 2.78Å; R94-E103 IonicContact NH2-OE2 2.79Å; R94-E103 PolarHBondContact NH2-OE2 2.86Å; R94-W104 CarbonylContact C-O 3.57Å; R94-W104 WeakPolarHBondContact CA-O 3.29Å; R94-E133 IonicContact CZ-OE2 3.35Å; R94-E133 IonicContact NH1-OE1 2.72Å; R94-E133 IonicContact NH1-OE2 3.07Å; R94-E133 PolarHBondContact NH1-OE2 3.44Å; R94-E133 IonicContact NH2-OE2 3.12Å; R94-K142 VanDerWaalsContact CD-O 3.31Å; R94-K142 WeakPolarHBondContact CD-O 3.43Å; R94-L144 HydrophobicContact CB-CD2 3.52Å; R94-L144 HydrophobicContact CG-CD2 4.39Å; R94-S155 PolarHBondContact NH1-OG 2.78Å; R94-S155 VanDerWaalsContact NH1-OG 3.13Å; R94-P156 PolarHBondContact NH1-O 3.4Å
95C92.5Very high92.7Very high1 Ų129.7 Ų29.71%0.00716%0.158CC..EExtended strand (participates in β ladder)trans-125.1142.4-179-60.50000109.3V69 N77 C78 E103 W104V69-C95 HydrophobicContact CG2-CB 4.23Å; N77-C95 HydrophobicContact CB-CB 4.28Å; C78-C95 CarbonylContact O-C 3.54Å; C78-C95 WeakPolarHBondContact O-CA 3.43Å; C95-E103 CarbonylContact O-C 3.56Å; C95-E103 VanDerWaalsContact O-CA 3.28Å; C95-E103 WeakPolarHBondContact O-CA 3.14Å; C95-W104 PolarHBondContact N-O 2.99Å; C95-W104 PolarHBondContact O-N 3.5Å
96S90.6Very high92.7Very high10 Ų1029.7 Ų29.77%0.0716%0.157CC..EExtended strand (participates in β ladder)trans-115.7139.8169.5-560000108.5N77 C78 T80 Q102 E103N77-S96 CarbonylContact C-O 3.58Å; N77-S96 VanDerWaalsContact CA-O 3.31Å; N77-S96 WeakPolarHBondContact CA-O 3.48Å; C78-S96 PolarHBondContact N-O 2.67Å; C78-S96 PolarHBondContact O-N 3.01Å; T80-S96 WeakPolarHBondContact CG2-OG 3.47Å; S96-Q102 WeakPolarHBondContact CA-O 3.3Å; S96-E103 PolarHBondContact OG-OE1 2.87Å
97S89Confident92.8Very high5 Ų527.1 Ų27.14%0.03514%0.141CC..EExtended strand (participates in β ladder)trans-61.7154.1173.664.20000110.3N77 T99 D100 D101 Q102N77-S97 WeakPolarHBondContact OD1-CA 3.37Å; S97-T99 PolarHBondContact O-N 2.91Å; S97-T99 PolarHBondContact OG-OG1 3.19Å; S97-D100 PolarHBondContact O-N 3.15Å; S97-D100 PolarHBondContact OG-N 3.18Å; S97-D101 PolarHBondContact OG-N 3.06Å; S97-D101 PolarHBondContact OG-OD1 2.82Å; S97-Q102 PolarHBondContact N-O 3.01Å; S97-Q102 PolarHBondContact OG-N 2.81Å; S97-Q102 VanDerWaalsContact OG-N 3.11Å; S97-Q102 PolarHBondContact OG-O 2.8Å
98N84.7Confident92.9Very high107 Ų10721.6 Ų21.657%0.57212%0.117SC*.THydrogen-bonded Turntrans-63.1-22.3176.9-74.8-25.7000113.2R75 G76 D100R75-N98 PolarHBondContact O-ND2 2.94Å; G76-N98 VanDerWaalsContact C-ND2 3.33Å; G76-N98 WeakPolarHBondContact CA-ND2 3.45Å; G76-N98 PolarHBondContact O-N 2.89Å; G76-N98 VanDerWaalsContact O-N 3.13Å; G76-N98 PolarHBondContact O-ND2 2.89Å; N98-D100 VanDerWaalsContact C-N 3.32Å
99T86Confident93Very high84 Ų8421.9 Ų21.952%0.51511%0.114SC..THydrogen-bonded Turntrans-83.9-3.8173.536.90000113.6S97 D101S97-T99 PolarHBondContact O-N 2.91Å; S97-T99 PolarHBondContact OG-OG1 3.19Å; T99-D101 WeakPolarHBondContact CB-OD1 3.25Å; T99-D101 PolarHBondContact O-N 3.3Å; T99-D101 VanDerWaalsContact O-N 3.12Å; T99-D101 VanDerWaalsContact OG1-CG 3.28Å; T99-D101 PolarHBondContact OG1-OD1 3.13Å
100D84.5Confident93Very high49 Ų4921.2 Ų21.226%0.26211%0.112SC..SBendtrans5427.3-178.8-160.333.2000113.1S97 N98 N135 R138S97-D100 PolarHBondContact O-N 3.15Å; S97-D100 PolarHBondContact OG-N 3.18Å; N98-D100 VanDerWaalsContact C-N 3.32Å; D100-N135 VanDerWaalsContact C-ND2 3.32Å; D100-N135 PolarHBondContact O-ND2 2.94Å; D100-N135 PolarHBondContact O-OD1 3.02Å; D100-R138 PolarHBondContact O-NE 3.15Å; D100-R138 WeakPolarHBondContact OD2-CB 3.23Å; D100-R138 WeakPolarHBondContact OD2-CG 3.48Å
101D87.9Confident92.6Very high63 Ų6324.8 Ų24.834%0.33713%0.129SC..SBendtrans-104.1-14.6-179.466.5-23.2000112.9R75 S97 T99 N135R75-D101 IonicContact NH1-OD2 3.48Å; R75-D101 PolarHBondContact NH1-OD2 3.17Å; S97-D101 PolarHBondContact OG-N 3.06Å; S97-D101 PolarHBondContact OG-OD1 2.82Å; T99-D101 WeakPolarHBondContact CB-OD1 3.25Å; T99-D101 PolarHBondContact O-N 3.3Å; T99-D101 VanDerWaalsContact O-N 3.12Å; T99-D101 VanDerWaalsContact OG1-CG 3.28Å; T99-D101 PolarHBondContact OG1-OD1 3.13Å; D101-N135 VanDerWaalsContact CA-ND2 3.29Å; D101-N135 WeakPolarHBondContact CA-ND2 3.41Å; D101-N135 PolarHBondContact N-ND2 3.22Å; D101-N135 PolarHBondContact O-ND2 2.85Å; D101-N135 VanDerWaalsContact O-ND2 3.13Å
102Q90.6Very high91.3Very high46 Ų4633.3 Ų33.322%0.21517%0.169CC..  trans-134.8148.8175.2-63.3-175.513.400112.1E72 S96 S97 W104 N135E72-Q102 PolarHBondContact OE1-NE2 3.29Å; E72-Q102 PolarHBondContact OE1-OE1 3.38Å; E72-Q102 VanDerWaalsContact OE1-OE1 3.05Å; S96-Q102 WeakPolarHBondContact CA-O 3.3Å; S97-Q102 PolarHBondContact N-O 3.01Å; S97-Q102 PolarHBondContact OG-N 2.81Å; S97-Q102 VanDerWaalsContact OG-N 3.11Å; S97-Q102 PolarHBondContact OG-O 2.8Å; Q102-W104 VanDerWaalsContact OE1-NE1 3.08Å; Q102-N135 PolarHBondContact N-ND2 2.77Å; Q102-N135 VanDerWaalsContact N-ND2 3.13Å
103E93.1Very high89.3Confident2 Ų236.5 Ų36.51%0.00920%0.201CC..EExtended strand (participates in β ladder)trans-133.8143.6169.6-68.1-166.7179.100110.8R94 C95 S96 E133 K142R94-E103 IonicContact CZ-OE2 2.94Å; R94-E103 VanDerWaalsContact CZ-OE2 3.26Å; R94-E103 IonicContact NE-OE2 3.64Å; R94-E103 PolarHBondContact NE-OE2 2.78Å; R94-E103 IonicContact NH2-OE2 2.79Å; R94-E103 PolarHBondContact NH2-OE2 2.86Å; C95-E103 CarbonylContact O-C 3.56Å; C95-E103 VanDerWaalsContact O-CA 3.28Å; C95-E103 WeakPolarHBondContact O-CA 3.14Å; S96-E103 PolarHBondContact OG-OE1 2.87Å; E103-E133 HydrophobicContact CB-CB 3.72Å; E103-E133 WeakPolarHBondContact O-CB 3.4Å; E103-E133 PolarHBondContact O-N 2.78Å; E103-K142 WeakPolarHBondContact OE1-CE 3.44Å; E103-K142 IonicContact OE1-NZ 3.46Å; E103-K142 PolarHBondContact OE1-NZ 3.21Å; E103-K142 WeakPolarHBondContact OE2-CE 3.37Å; E103-K142 IonicContact OE2-NZ 2.79Å; E103-K142 PolarHBondContact OE2-NZ 2.85Å
104W95.4Very high86.7Confident26 Ų2640.2 Ų40.210%0.09823%0.232CC..EExtended strand (participates in β ladder)trans-133.9140.1-177.1-66.992.2000110.3V69 P70 R94 C95 Q102 Y130 E132V69-W104 HydrophobicContact CG1-CB 3.76Å; V69-W104 HydrophobicContact CG1-CD2 4.46Å; V69-W104 HydrophobicContact CG1-CG 3.68Å; P70-W104 HydrophobicContact CB-CE3 4.15Å; P70-W104 HydrophobicContact CB-CH2 4.15Å; P70-W104 HydrophobicContact CB-CZ2 4.49Å; P70-W104 HydrophobicContact CB-CZ3 3.96Å; P70-W104 HydrophobicContact CG-CE3 4.11Å; P70-W104 HydrophobicContact CG-CZ3 4.25Å; R94-W104 CarbonylContact C-O 3.57Å; R94-W104 WeakPolarHBondContact CA-O 3.29Å; C95-W104 PolarHBondContact N-O 2.99Å; C95-W104 PolarHBondContact O-N 3.5Å; Q102-W104 VanDerWaalsContact OE1-NE1 3.08Å; W104-Y130 HydrophobicContact CE3-CD2 4.21Å; W104-Y130 AromaticContact CZ3-CD2 3.83Å; W104-Y130 HydrophobicContact CZ3-CD2 3.83Å; W104-Y130 HydrophobicContact CZ3-CE2 4.25Å; W104-E132 HydrophobicContact CE3-CB 4.05Å; W104-E132 HydrophobicContact CH2-CB 3.86Å; W104-E132 HydrophobicContact CH2-CG 4.12Å; W104-E132 HydrophobicContact CZ2-CB 4.36Å; W104-E132 HydrophobicContact CZ2-CG 4.14Å; W104-E132 HydrophobicContact CZ3-CB 3.69Å; W104-E132 HydrophobicContact CZ3-CG 4.34Å
105T97.4Very high84.4Confident0 Ų046.5 Ų46.50%027%0.273CS..EExtended strand (participates in β ladder)trans-100.7128.1162.7-70.50000107.8L92 L93 Y130 I131 E133 L144 L184L92-T105 HydrophobicContact CD1-CG2 3.63Å; L93-T105 CarbonylContact O-C 3.5Å; L93-T105 WeakPolarHBondContact O-CA 3.43Å; T105-Y130 CarbonylContact O-C 3.51Å; T105-Y130 WeakPolarHBondContact O-CA 3.39Å; T105-I131 HydrophobicContact CG2-CG2 4.38Å; T105-I131 PolarHBondContact N-O 2.92Å; T105-I131 PolarHBondContact O-N 3.13Å; T105-E133 WeakPolarHBondContact OG1-CG 3.38Å; T105-E133 PolarHBondContact OG1-OE1 2.84Å; T105-L144 HydrophobicContact CG2-CD1 3.52Å; T105-L184 HydrophobicContact CG2-CD1 4.08Å
106C97.6Very high82.2Confident0 Ų051.5 Ų51.50%030%0.303CS..EExtended strand (participates in β ladder)trans-128.2139.9-178.5-63.90000111.1L92 L93 Y108 L127L92-C106 WeakPolarHBondContact CA-O 3.1Å; L93-C106 PolarHBondContact N-O 2.93Å; L93-C106 PolarHBondContact O-N 3.28Å; C106-Y108 HydrophobicContact CB-CD2 4.33Å; C106-Y108 HydrophobicContact CB-CE2 3.39Å; C106-Y108 WeakPolarHBondContact CB-OH 3.31Å; C106-L127 HydrophobicContact CB-CD1 3.92Å
107V98.1Very high80.2Confident0 Ų060.9 Ų60.90%034%0.337CS..EExtended strand (participates in β ladder)trans-114.2123.3175-174.70000108.8A90 T91 L92 T128 H129 I153 F166 L173 L184A90-V107 HydrophobicContact CB-CG1 4.42Å; T91-V107 WeakPolarHBondContact O-CA 3.36Å; L92-V107 HydrophobicContact CD1-CG2 3.84Å; V107-T128 PolarHBondContact O-N 3.48Å; V107-T128 PolarHBondContact O-OG1 2.93Å; V107-H129 HydrophobicContact CB-CB 4.09Å; V107-H129 HydrophobicContact CG2-CB 4.15Å; V107-H129 PolarHBondContact N-O 2.99Å; V107-H129 PolarHBondContact O-N 2.78Å; V107-I153 HydrophobicContact CG2-CD1 3.96Å; V107-F166 HydrophobicContact CG1-CE1 4.15Å; V107-F166 HydrophobicContact CG2-CE1 4.31Å; V107-L173 HydrophobicContact CG1-CD2 4.18Å; V107-L184 HydrophobicContact CG2-CD1 4.2Å; V107-L184 HydrophobicContact CG2-CD2 4.26Å
108Y96.6Very high78.3Confident4 Ų467.1 Ų67.12%0.01638%0.378CS..EExtended strand (participates in β ladder)trans-115.5129.9175.5-52.9-97.7000109.8P67 E68 A90 T91 L93 C106 R126 L127P67-Y108 HydrophobicContact CB-CE1 3.97Å; P67-Y108 HydrophobicContact CB-CE2 4.23Å; E68-Y108 PolarHBondContact O-OH 2.91Å; A90-Y108 CarbonylContact C-O 3.44Å; A90-Y108 WeakPolarHBondContact CA-O 3.34Å; A90-Y108 VanDerWaalsContact CB-O 3.31Å; A90-Y108 WeakPolarHBondContact CB-O 3.49Å; T91-Y108 HydrophobicContact CG2-CD2 4.2Å; T91-Y108 HydrophobicContact CG2-CG 4.45Å; T91-Y108 PolarHBondContact N-O 3.48Å; T91-Y108 PolarHBondContact O-N 3.31Å; L93-Y108 HydrophobicContact CB-CE2 4.27Å; L93-Y108 HydrophobicContact CD1-CD2 3.97Å; L93-Y108 HydrophobicContact CD1-CE2 3.47Å; L93-Y108 VanDerWaalsContact CD1-CE2 3.47Å; L93-Y108 HydrophobicContact CG-CD2 4.03Å; L93-Y108 HydrophobicContact CG-CE2 3.78Å; C106-Y108 HydrophobicContact CB-CD2 4.33Å; C106-Y108 HydrophobicContact CB-CE2 3.39Å; C106-Y108 WeakPolarHBondContact CB-OH 3.31Å; Y108-R126 CarbonylContact C-O 3.54Å; Y108-R126 WeakPolarHBondContact CA-O 3.21Å; Y108-L127 HydrophobicContact CD1-CB 3.91Å; Y108-L127 HydrophobicContact CD1-CD1 4.15Å; Y108-L127 HydrophobicContact CE1-CB 3.77Å; Y108-L127 HydrophobicContact CE1-CD1 3.7Å; Y108-L127 HydrophobicContact CE1-CG 4.28Å; Y108-L127 HydrophobicContact CE2-CD1 4.42Å
109E94.8Very high76.5Confident22 Ų2268 Ų6810%0.10339%0.387CS..EExtended strand (participates in β ladder)trans-86.1140171.3177-172.5-141.800109.7Q111 L125 R126 T128 L177E109-Q111 PolarHBondContact O-N 2.59Å; E109-Q111 PolarHBondContact OE2-NE2 2.95Å; E109-L125 WeakPolarHBondContact O-CA 3.17Å; E109-R126 PolarHBondContact N-O 2.81Å; E109-R126 PolarHBondContact O-N 2.88Å; E109-R126 IonicContact OE2-CZ 2.67Å; E109-R126 IonicContact OE2-NE 3.68Å; E109-R126 PolarHBondContact OE2-NE 3.48Å; E109-R126 IonicContact OE2-NH2 2.81Å; E109-R126 PolarHBondContact OE2-NH2 3.42Å; E109-T128 HydrophobicContact CB-CG2 3.7Å; E109-L177 WeakPolarHBondContact OE1-CD1 3.44Å
110F91.6Very high74.4Confident26 Ų2667.6 Ų67.611%0.11439%0.387CS..EExtended strand (participates in β ladder)trans-70.7124.2169.9-66.1-66.3000110.7T10 L17 I27 L84 G88 W89 S124 L125T10-F110 HydrophobicContact CG2-CE2 4.45Å; L17-F110 HydrophobicContact CD1-CE1 3.95Å; L17-F110 HydrophobicContact CD1-CZ 3.7Å; L17-F110 HydrophobicContact CD2-CE1 4.05Å; L17-F110 HydrophobicContact CD2-CZ 3.76Å; L17-F110 HydrophobicContact CG-CE1 4.47Å; L17-F110 HydrophobicContact CG-CZ 4.34Å; I27-F110 HydrophobicContact CD1-CE1 4.43Å; L84-F110 HydrophobicContact CD2-CE2 3.87Å; L84-F110 HydrophobicContact CD2-CZ 3.72Å; G88-F110 WeakPolarHBondContact O-CD2 3.45Å; G88-F110 WeakPolarHBondContact O-CE2 3.37Å; W89-F110 WeakPolarHBondContact O-CD2 3.44Å; W89-F110 PolarHBondContact O-N 3.08Å; F110-S124 CarbonylContact C-O 3.56Å; F110-S124 WeakPolarHBondContact CA-O 3.48Å; F110-L125 HydrophobicContact CD1-CD2 3.3Å; F110-L125 HydrophobicContact CD1-CG 4.31Å; F110-L125 HydrophobicContact CE1-CD2 3.47Å; F110-L125 VanDerWaalsContact CE1-CD2 3.47Å; F110-L125 HydrophobicContact CE1-CG 4.41Å; F110-L125 HydrophobicContact CG-CD2 4.1Å; F110-L125 HydrophobicContact CZ-CD2 4.37Å
111Q87.3Confident72.7Confident76 Ų7671 Ų7136%0.35541%0.412SS..  trans-90106171.1-60.6-63.9-61.100108.2E109 G113 C123 S124 R126E109-Q111 PolarHBondContact O-N 2.59Å; E109-Q111 PolarHBondContact OE2-NE2 2.95Å; Q111-G113 PolarHBondContact O-N 2.82Å; Q111-G113 VanDerWaalsContact O-N 3.1Å; Q111-C123 WeakPolarHBondContact CB-O 3.46Å; Q111-S124 PolarHBondContact N-O 2.85Å; Q111-R126 HydrophobicContact CG-CB 3.86Å
112E70.4Confident71.3Confident179 Ų17974 Ų7484%0.83642%0.418SS*.  trans-74.396.2167.1-72.3-173.9171.800108.8
113G54.5Low69.8Low66 Ų6676.3 Ų76.368%0.6844%0.439SS*.  trans-76.9138.616900000110.6Q111Q111-G113 PolarHBondContact O-N 2.82Å; Q111-G113 VanDerWaalsContact O-N 3.1Å
114A43.2Very low69.4Low78 Ų7876.8 Ų76.865%0.64544%0.442SS*.  trans-48.9150.7151.800000108.6V116A114-V116 PolarHBondContact O-N 2.76Å
115P46.2Very low69.1Low133 Ų13376.3 Ų76.386%0.86444%0.441SS*.  trans-63.385.6178.425.5-32.7000109.7
116V47.7Very low68.9Low106 Ų10680.7 Ų80.764%0.64246%0.458SS*.  trans-73134.5172.3-178.60000106.2A114A114-V116 PolarHBondContact O-N 2.76Å
117R47Very low68.8Low207 Ų20781.7 Ų81.778%0.78146%0.463SS*.  trans-21.2148-179.8-67.3176.9175.3-173-2115.1V119 S120R117-V119 PolarHBondContact O-N 2.87Å; R117-S120 PolarHBondContact O-N 2.78Å
118P49.8Very low68.8Low136 Ų13681.8 Ų81.888%0.88346%0.464SS*.THydrogen-bonded Turntrans-60.712.5-170.623.3-34.6000117.7
119V46.8Very low68.8Low126 Ų12681.7 Ų81.776%0.76446%0.464SS*.THydrogen-bonded Turntrans-128.8-1.8-168.8-160.70000113.9R117R117-V119 PolarHBondContact O-N 2.87Å
120S41.6Very low69Low74 Ų7483.5 Ų83.552%0.51747%0.47SS..SBendtrans-99.3133.8172.8-56.20000110.4R117 R122R117-S120 PolarHBondContact O-N 2.78Å; S120-R122 PolarHBondContact O-N 3.37Å
121P49.4Very low69.3Low121 Ų12183.2 Ų83.279%0.78647%0.469SS*.PPolyproline II helixtrans-58.8128.8170.624.4-30.2000108C123P121-C123 PolarHBondContact O-N 3.19Å
122R57.4Low69.7Low126 Ų12684.9 Ų84.948%0.47548%0.477SS..PPolyproline II helixtrans-56.3123.8168.1-71.5-178.8170.6-178.8-3106.4E63 S120 S124E63-R122 VanDerWaalsContact CD-CB 3.42Å; E63-R122 HydrophobicContact CG-CB 4.2Å; E63-R122 WeakPolarHBondContact OE1-CB 3.26Å; E63-R122 WeakPolarHBondContact OE2-CB 3.42Å; S120-R122 PolarHBondContact O-N 3.37Å; R122-S124 VanDerWaalsContact C-N 3.35Å
123C61Low70.9Confident95 Ų9576.7 Ų76.764%0.64244%0.439SS*.  trans-101.270.9165.9-171.20000105.6Q111 P121 L125Q111-C123 WeakPolarHBondContact CB-O 3.46Å; P121-C123 PolarHBondContact O-N 3.19Å; C123-L125 PolarHBondContact O-N 2.91Å
124S82.9Confident72.7Confident11 Ų1174.6 Ų74.68%0.07742%0.415CS..  trans-77.7-1-173.865.20000113.1I27 E63 F110 Q111 R122I27-S124 VanDerWaalsContact CD1-OG 3.24Å; I27-S124 WeakPolarHBondContact CD1-OG 3.27Å; E63-S124 VanDerWaalsContact OE1-CB 3.25Å; E63-S124 WeakPolarHBondContact OE1-CB 3.39Å; E63-S124 PolarHBondContact OE1-N 3.47Å; E63-S124 VanDerWaalsContact OE1-N 3.13Å; E63-S124 PolarHBondContact OE1-OG 3.39Å; E63-S124 WeakPolarHBondContact OE2-CB 3.45Å; E63-S124 PolarHBondContact OE2-OG 3.17Å; F110-S124 CarbonylContact C-O 3.56Å; F110-S124 WeakPolarHBondContact CA-O 3.48Å; Q111-S124 PolarHBondContact N-O 2.85Å; R122-S124 VanDerWaalsContact C-N 3.35Å
125L90.8Very high75Confident17 Ų1772.6 Ų72.69%0.08939%0.394CS..EExtended strand (participates in β ladder)trans-131.3132.6178.3-72.1-177.7000112L25 I27 L65 T91 E109 F110 C123L25-L125 HydrophobicContact CD2-CD1 3.32Å; I27-L125 HydrophobicContact CD1-CD1 3.94Å; I27-L125 HydrophobicContact CD1-CG 3.99Å; L65-L125 HydrophobicContact CD1-CB 4.06Å; L65-L125 HydrophobicContact CD1-CD1 3.74Å; L65-L125 HydrophobicContact CD1-CG 3.9Å; T91-L125 HydrophobicContact CG2-CD1 4.12Å; T91-L125 HydrophobicContact CG2-CD2 3.97Å; E109-L125 WeakPolarHBondContact O-CA 3.17Å; F110-L125 HydrophobicContact CD1-CD2 3.3Å; F110-L125 HydrophobicContact CD1-CG 4.31Å; F110-L125 HydrophobicContact CE1-CD2 3.47Å; F110-L125 VanDerWaalsContact CE1-CD2 3.47Å; F110-L125 HydrophobicContact CE1-CG 4.41Å; F110-L125 HydrophobicContact CG-CD2 4.1Å; F110-L125 HydrophobicContact CZ-CD2 4.37Å; C123-L125 PolarHBondContact O-N 2.91Å
126R93Very high77.2Confident91 Ų9169 Ų6934%0.34337%0.369SS..EExtended strand (participates in β ladder)trans-118.8126.3172.1-179.8177.469.2160.91.6109.9Y108 E109 Q111 T128Y108-R126 CarbonylContact C-O 3.54Å; Y108-R126 WeakPolarHBondContact CA-O 3.21Å; E109-R126 PolarHBondContact N-O 2.81Å; E109-R126 PolarHBondContact O-N 2.88Å; E109-R126 IonicContact OE2-CZ 2.67Å; E109-R126 IonicContact OE2-NE 3.68Å; E109-R126 PolarHBondContact OE2-NE 3.48Å; E109-R126 IonicContact OE2-NH2 2.81Å; E109-R126 PolarHBondContact OE2-NH2 3.42Å; Q111-R126 HydrophobicContact CG-CB 3.86Å; R126-T128 PolarHBondContact O-N 3.48Å
127L95.4Very high79.2Confident22 Ų2264.9 Ų64.912%0.11535%0.348CS..EExtended strand (participates in β ladder)trans-64.6122.4171.2179.966.1000109.2E68 C106 Y108 H129 A181E68-L127 HydrophobicContact CG-CD2 4.36Å; C106-L127 HydrophobicContact CB-CD1 3.92Å; Y108-L127 HydrophobicContact CD1-CB 3.91Å; Y108-L127 HydrophobicContact CD1-CD1 4.15Å; Y108-L127 HydrophobicContact CE1-CB 3.77Å; Y108-L127 HydrophobicContact CE1-CD1 3.7Å; Y108-L127 HydrophobicContact CE1-CG 4.28Å; Y108-L127 HydrophobicContact CE2-CD1 4.42Å; L127-H129 WeakPolarHBondContact CD1-O 3.43Å; L127-A181 HydrophobicContact CB-CB 4.44Å; L127-A181 HydrophobicContact CD2-CB 3.81Å; L127-A181 HydrophobicContact CG-CB 3.81Å
128T96.9Very high81.2Confident2 Ų262 Ų621%0.01234%0.337CS..EExtended strand (participates in β ladder)trans-111-44.3178.759.10000111.4V107 E109 R126 L177 P178 A181 S182V107-T128 PolarHBondContact O-N 3.48Å; V107-T128 PolarHBondContact O-OG1 2.93Å; E109-T128 HydrophobicContact CB-CG2 3.7Å; R126-T128 PolarHBondContact O-N 3.48Å; T128-L177 HydrophobicContact CG2-CD2 3.93Å; T128-P178 WeakPolarHBondContact O-CG 3.3Å; T128-A181 WeakPolarHBondContact O-CA 3.43Å; T128-S182 PolarHBondContact O-N 2.82Å
129H98.2Very high83Confident2 Ų259 Ų591%0.00933%0.331CS..EExtended strand (participates in β ladder)trans-136.4152.6-177.7-57.178.2000112.5V107 L127 F166 L173 P178 S182 L184V107-H129 HydrophobicContact CB-CB 4.09Å; V107-H129 HydrophobicContact CG2-CB 4.15Å; V107-H129 PolarHBondContact N-O 2.99Å; V107-H129 PolarHBondContact O-N 2.78Å; L127-H129 WeakPolarHBondContact CD1-O 3.43Å; H129-F166 AromaticContact CE1-CD1 3.93Å; H129-F166 AromaticContact ND1-CD1 3.84Å; H129-L173 WeakPolarHBondContact CE1-CD1 3.24Å; H129-L173 WeakPolarHBondContact ND1-CD1 3.5Å; H129-P178 VanDerWaalsContact CE1-CD 3.43Å; H129-P178 WeakPolarHBondContact CE1-CD 3.14Å; H129-S182 WeakPolarHBondContact CA-O 3.18Å; H129-L184 HydrophobicContact CB-CD2 3.55Å; H129-L184 HydrophobicContact CB-CG 3.78Å
130Y97.9Very high85.2Confident60 Ų6059.3 Ų59.324%0.23532%0.319CS..EExtended strand (participates in β ladder)trans-149.3164174.861.6-92.4000111.7P70 W104 T105 A181 S182 P183 L184P70-Y130 HydrophobicContact CB-CD2 4.08Å; P70-Y130 HydrophobicContact CB-CE2 4.18Å; P70-Y130 HydrophobicContact CB-CG 4.38Å; P70-Y130 HydrophobicContact CG-CD1 3.73Å; P70-Y130 HydrophobicContact CG-CD2 3.44Å; P70-Y130 VanDerWaalsContact CG-CD2 3.44Å; P70-Y130 HydrophobicContact CG-CE1 4.21Å; P70-Y130 HydrophobicContact CG-CE2 3.95Å; P70-Y130 HydrophobicContact CG-CG 3.31Å; W104-Y130 HydrophobicContact CE3-CD2 4.21Å; W104-Y130 AromaticContact CZ3-CD2 3.83Å; W104-Y130 HydrophobicContact CZ3-CD2 3.83Å; W104-Y130 HydrophobicContact CZ3-CE2 4.25Å; T105-Y130 CarbonylContact O-C 3.51Å; T105-Y130 WeakPolarHBondContact O-CA 3.39Å; Y130-A181 HydrophobicContact CD1-CB 4.12Å; Y130-A181 HydrophobicContact CE1-CB 4.03Å; Y130-S182 PolarHBondContact N-O 3.43Å; Y130-S182 VanDerWaalsContact N-O 3.11Å; Y130-P183 HydrophobicContact CE2-CG 4.28Å; Y130-P183 CarbonylContact O-C 3.41Å; Y130-P183 WeakPolarHBondContact O-CA 3.13Å; Y130-L184 PolarHBondContact O-N 2.79Å
131I97.7Very high87.6Confident20 Ų2058.8 Ų58.810%0.10331%0.31CS..EExtended strand (participates in β ladder)trans-155.8143.4165.8-167169.1000109.4T105 L164 L184 V186T105-I131 HydrophobicContact CG2-CG2 4.38Å; T105-I131 PolarHBondContact N-O 2.92Å; T105-I131 PolarHBondContact O-N 3.13Å; I131-L164 HydrophobicContact CD1-CD2 4.11Å; I131-L164 HydrophobicContact CG2-CD1 3.96Å; I131-L184 HydrophobicContact CB-CB 4.2Å; I131-L184 HydrophobicContact CG2-CB 4.36Å; I131-L184 HydrophobicContact CG2-CD1 4.02Å; I131-V186 HydrophobicContact CD1-CG2 3.77Å
132E95.8Very high89.8Confident110 Ų11053.1 Ų53.151%0.51427%0.273SS..EExtended strand (participates in β ladder)trans-69.5139.5171.1-164.1178.8179.400110W104 R162W104-E132 HydrophobicContact CE3-CB 4.05Å; W104-E132 HydrophobicContact CH2-CB 3.86Å; W104-E132 HydrophobicContact CH2-CG 4.12Å; W104-E132 HydrophobicContact CZ2-CB 4.36Å; W104-E132 HydrophobicContact CZ2-CG 4.14Å; W104-E132 HydrophobicContact CZ3-CB 3.69Å; W104-E132 HydrophobicContact CZ3-CG 4.34Å; E132-R162 PolarHBondContact O-NH1 3.09Å; E132-R162 PolarHBondContact O-NH2 2.89Å
133E95.9Very high91.7Very high8 Ų850.2 Ų50.24%0.03727%0.265CS..EExtended strand (participates in β ladder)trans-108.1157.2-179.9-73.8-67169.600111.9R94 E103 T105 N135 S155 H157 R162R94-E133 IonicContact CZ-OE2 3.35Å; R94-E133 IonicContact NH1-OE1 2.72Å; R94-E133 IonicContact NH1-OE2 3.07Å; R94-E133 PolarHBondContact NH1-OE2 3.44Å; R94-E133 IonicContact NH2-OE2 3.12Å; E103-E133 HydrophobicContact CB-CB 3.72Å; E103-E133 WeakPolarHBondContact O-CB 3.4Å; E103-E133 PolarHBondContact O-N 2.78Å; T105-E133 WeakPolarHBondContact OG1-CG 3.38Å; T105-E133 PolarHBondContact OG1-OE1 2.84Å; E133-N135 PolarHBondContact O-N 3.26Å; E133-S155 VanDerWaalsContact CD-OG 3.28Å; E133-S155 WeakPolarHBondContact OE1-CB 3.46Å; E133-S155 PolarHBondContact OE1-OG 3.32Å; E133-H157 IonicContact OE2-ND1 3.55Å; E133-H157 PolarHBondContact OE2-ND1 3.13Å; E133-H157 VanDerWaalsContact OE2-ND1 3.12Å; E133-R162 IonicContact OE1-NH2 3.26Å; E133-R162 PolarHBondContact OE1-NH2 3.31Å; E133-R162 VanDerWaalsContact OE1-NH2 3.07Å; E133-R162 IonicContact OE2-CZ 3.82Å; E133-R162 IonicContact OE2-NE 2.88Å; E133-R162 IonicContact OE2-NH2 3.63Å; E133-R162 PolarHBondContact OE2-NH2 3.49Å
134A92.9Very high93.5Very high22 Ų2245.7 Ų45.718%0.18223%0.234CC..  trans-67122.3174.400000110.4V136 H157A134-V136 VanDerWaalsContact C-N 3.28Å; A134-V136 HydrophobicContact CB-CG2 4.02Å; A134-V136 PolarHBondContact O-N 2.56Å; A134-H157 VanDerWaalsContact CB-CE1 3.49Å; A134-H157 WeakPolarHBondContact CB-CE1 3.36Å; A134-H157 PolarHBondContact N-CE1 2.81Å; A134-H157 VanDerWaalsContact N-CE1 3.33Å; A134-H157 PolarHBondContact N-ND1 2.84Å
135N90.8Very high94.2Very high36 Ų3645.4 Ų45.419%0.19323%0.232CC..  trans-82.173.5172.1-168-59.8000110.7D100 D101 Q102 E133 R138D100-N135 VanDerWaalsContact C-ND2 3.32Å; D100-N135 PolarHBondContact O-ND2 2.94Å; D100-N135 PolarHBondContact O-OD1 3.02Å; D101-N135 VanDerWaalsContact CA-ND2 3.29Å; D101-N135 WeakPolarHBondContact CA-ND2 3.41Å; D101-N135 PolarHBondContact N-ND2 3.22Å; D101-N135 PolarHBondContact O-ND2 2.85Å; D101-N135 VanDerWaalsContact O-ND2 3.13Å; Q102-N135 PolarHBondContact N-ND2 2.77Å; Q102-N135 VanDerWaalsContact N-ND2 3.13Å; E133-N135 PolarHBondContact O-N 3.26Å; N135-R138 WeakPolarHBondContact OD1-CG 3.43Å; N135-R138 PolarHBondContact OD1-NE 2.82Å; N135-R138 PolarHBondContact OD1-NH2 3.34Å
136V93.5Very high94.6Very high56 Ų5645.5 Ų45.534%0.33923%0.232SC..  trans-134152175.3-65.70000110A134 K142 V196A134-V136 VanDerWaalsContact C-N 3.28Å; A134-V136 HydrophobicContact CB-CG2 4.02Å; A134-V136 PolarHBondContact O-N 2.56Å; V136-K142 PolarHBondContact O-NZ 3.24Å; V136-V196 HydrophobicContact CB-CG2 4.38Å; V136-V196 HydrophobicContact CG2-CG1 4.09Å; V136-V196 HydrophobicContact CG2-CG2 4.33Å
137G88.5Confident94.8Very high20 Ų2041.4 Ų41.421%0.20622%0.217CC..SBendtrans66.445.5-172.700000112.3Y140G137-Y140 WeakPolarHBondContact O-CB 3.17Å; G137-Y140 PolarHBondContact O-N 3.12Å
138R89.5Confident94.8Very high148 Ų14843.7 Ų43.756%0.55823%0.234SC*.THydrogen-bonded Turntrans-50.3144.7177.9-76.6-173.9-169.8-177.3-1112.6D100 N135 Y140D100-R138 PolarHBondContact O-NE 3.15Å; D100-R138 WeakPolarHBondContact OD2-CB 3.23Å; D100-R138 WeakPolarHBondContact OD2-CG 3.48Å; N135-R138 WeakPolarHBondContact OD1-CG 3.43Å; N135-R138 PolarHBondContact OD1-NE 2.82Å; N135-R138 PolarHBondContact OD1-NH2 3.34Å; R138-Y140 PolarHBondContact O-N 2.78Å
139G87.3Confident94.8Very high73 Ų7347.3 Ų47.375%0.75325%0.253SS*.THydrogen-bonded Turntrans74.2-10-175.400000115.6
140Y92.1Very high94.7Very high131 Ų13147.2 Ų47.251%0.51425%0.252SS..SBendtrans-95.5144.2173.1-67.2-88000112.2G137 R138 L198 L214G137-Y140 WeakPolarHBondContact O-CB 3.17Å; G137-Y140 PolarHBondContact O-N 3.12Å; R138-Y140 PolarHBondContact O-N 2.78Å; Y140-L198 HydrophobicContact CD1-CD1 3.91Å; Y140-L198 HydrophobicContact CG-CD1 4.25Å; Y140-L198 HydrophobicContact CG-CD2 4.26Å; Y140-L214 HydrophobicContact CD1-CD2 3.59Å; Y140-L214 HydrophobicContact CD2-CD1 4.33Å; Y140-L214 HydrophobicContact CD2-CD2 3.83Å; Y140-L214 HydrophobicContact CE1-CD2 3.42Å; Y140-L214 VanDerWaalsContact CE1-CD2 3.42Å; Y140-L214 HydrophobicContact CE2-CD1 4.29Å; Y140-L214 HydrophobicContact CE2-CD2 3.66Å; Y140-L214 HydrophobicContact CG-CD2 3.78Å; Y140-L214 VanDerWaalsContact CZ-CD2 3.45Å
141I92.8Very high94.7Very high64 Ų6449.3 Ų49.333%0.32826%0.26SS..  trans-78.8131.3175.9-69151000109.1L4 R6 T80 E143L4-I141 HydrophobicContact CD2-CD1 3.42Å; L4-I141 VanDerWaalsContact CD2-CD1 3.42Å; L4-I141 HydrophobicContact CD2-CG1 4.1Å; R6-I141 VanDerWaalsContact NH2-CD1 3.26Å; R6-I141 VanDerWaalsContact NH2-CG1 3.3Å; T80-I141 WeakPolarHBondContact O-CG2 3.48Å; I141-E143 HydrophobicContact CG2-CG 3.9Å
142K96.1Very high94.7Very high2 Ų250.2 Ų50.21%0.00926%0.264CS..  trans-110.7109175.5-78.4162.4-72.2-170.60110.6R94 E103 V136 P156 L198R94-K142 VanDerWaalsContact CD-O 3.31Å; R94-K142 WeakPolarHBondContact CD-O 3.43Å; E103-K142 WeakPolarHBondContact OE1-CE 3.44Å; E103-K142 IonicContact OE1-NZ 3.46Å; E103-K142 PolarHBondContact OE1-NZ 3.21Å; E103-K142 WeakPolarHBondContact OE2-CE 3.37Å; E103-K142 IonicContact OE2-NZ 2.79Å; E103-K142 PolarHBondContact OE2-NZ 2.85Å; V136-K142 PolarHBondContact O-NZ 3.24Å; K142-P156 HydrophobicContact CB-CB 4.25Å; K142-P156 HydrophobicContact CB-CG 4.4Å; K142-P156 HydrophobicContact CG-CB 4.3Å; K142-L198 CarbonylContact C-O 3.51Å; K142-L198 VanDerWaalsContact CA-O 3.23Å; K142-L198 WeakPolarHBondContact CA-O 3.06Å; K142-L198 HydrophobicContact CG-CD2 4.03Å
143E97.2Very high94.8Very high65 Ų6545 Ų4530%0.30424%0.24SC..BIsolated β-bridgetrans-93.4109.8-177.1-60.9-163.9147.300111.9I141 P156 L198 T200I141-E143 HydrophobicContact CG2-CG 3.9Å; E143-P156 WeakPolarHBondContact O-CG 3.38Å; E143-L198 PolarHBondContact N-O 2.9Å; E143-T200 PolarHBondContact O-N 3.03Å; E143-T200 VanDerWaalsContact O-N 3.13Å
144L97.9Very high94.9Very high0 Ų044.6 Ų44.60%024%0.238CC..  trans-88.7167.5167.765.6168.1000112.1Q83 L92 R94 T105 I153 S154Q83-L144 VanDerWaalsContact CG-O 3.26Å; Q83-L144 WeakPolarHBondContact CG-O 3.34Å; L92-L144 HydrophobicContact CD1-CD1 3.58Å; L92-L144 HydrophobicContact CD2-CD1 3.54Å; L92-L144 HydrophobicContact CD2-CG 3.85Å; L92-L144 HydrophobicContact CG-CD1 3.52Å; L92-L144 HydrophobicContact CG-CG 4.09Å; R94-L144 HydrophobicContact CB-CD2 3.52Å; R94-L144 HydrophobicContact CG-CD2 4.39Å; T105-L144 HydrophobicContact CG2-CD1 3.52Å; L144-I153 HydrophobicContact CD1-CG2 4.04Å; L144-S154 VanDerWaalsContact CA-O 3.3Å; L144-S154 WeakPolarHBondContact CA-O 3.32Å; L144-S154 VanDerWaalsContact CB-O 3.25Å; L144-S154 WeakPolarHBondContact CB-O 3.31Å
145C98.1Very high95.2Very high5 Ų543.6 Ų43.63%0.03423%0.229CC..EExtended strand (participates in β ladder)trans-149.9156.2176.961.40000113I153 S154 T200 K201C145-I153 CarbonylContact O-C 3.48Å; C145-I153 WeakPolarHBondContact O-CA 3.21Å; C145-S154 PolarHBondContact N-O 3.02Å; C145-S154 PolarHBondContact O-N 2.83Å; C145-T200 PolarHBondContact SG-O 3.26Å; C145-K201 HydrophobicContact CB-CD 4.1Å; C145-K201 VanDerWaalsContact SG-CA 3.52Å
146F98.3Very high95.5Very high18 Ų1841.9 Ų41.98%0.07922%0.22CC..EExtended strand (participates in β ladder)trans-75.9150.4162.6-76.1-71.2000110.9Q83 L84 H85 P86 L92 I153 F166 F202Q83-F146 HydrophobicContact CB-CD2 4.5Å; L84-F146 WeakPolarHBondContact O-CD2 3.24Å; H85-F146 HydrophobicContact CB-CD2 4.42Å; H85-F146 HydrophobicContact CB-CE2 3.99Å; H85-F146 HydrophobicContact CB-CZ 4.18Å; H85-F146 AromaticContact CD2-CE1 3.98Å; P86-F146 HydrophobicContact CG-CB 4.24Å; L92-F146 HydrophobicContact CB-CD2 4.26Å; L92-F146 HydrophobicContact CB-CE2 3.38Å; L92-F146 HydrophobicContact CB-CZ 3.64Å; L92-F146 HydrophobicContact CD2-CD2 4.02Å; L92-F146 HydrophobicContact CD2-CE1 4.4Å; L92-F146 HydrophobicContact CD2-CE2 3.84Å; L92-F146 HydrophobicContact CD2-CG 4.41Å; L92-F146 HydrophobicContact CD2-CZ 4.05Å; L92-F146 HydrophobicContact CG-CE2 4.25Å; L92-F146 HydrophobicContact CG-CZ 4.35Å; F146-I153 HydrophobicContact CD1-CD1 4.46Å; F146-I153 HydrophobicContact CD1-CG1 3.63Å; F146-I153 HydrophobicContact CE1-CD1 3.87Å; F146-I153 HydrophobicContact CE1-CG1 3.54Å; F146-I153 HydrophobicContact CZ-CG1 4.43Å; F146-F166 AromaticContact CE1-CZ 3.99Å; F146-F166 HydrophobicContact CE1-CZ 3.99Å; F146-F202 WeakPolarHBondContact O-CD2 3.15Å
147S97.7Very high95.7Very high5 Ų540.7 Ų40.74%0.03521%0.211CC..  trans-61.1157.4157.646.80000110.8P86 D149 G150 R151 M152 F202P86-S147 WeakPolarHBondContact CG-O 3.49Å; S147-D149 WeakPolarHBondContact CB-OD1 3.2Å; S147-D149 PolarHBondContact O-N 3.11Å; S147-D149 PolarHBondContact OG-OD1 3.46Å; S147-G150 WeakPolarHBondContact O-CA 3.48Å; S147-G150 PolarHBondContact O-N 3.36Å; S147-R151 PolarHBondContact OG-N 3.23Å; S147-M152 WeakPolarHBondContact CB-O 3.36Å; S147-M152 PolarHBondContact N-O 3.21Å; S147-M152 WeakPolarHBondContact OG-CA 3.25Å; S147-M152 PolarHBondContact OG-N 3.34Å; S147-M152 PolarHBondContact OG-O 3.24Å; S147-F202 VanDerWaalsContact CA-CD2 3.4Å
148P96.6Very high96.1Very high71 Ų7140.2 Ų40.246%0.46121%0.206SC..THydrogen-bonded Turntrans-60.9-32-176.9-24.535.4000113.8P86 F202 S203P86-P148 WeakPolarHBondContact CB-O 3.29Å; P86-P148 WeakPolarHBondContact CG-O 3.43Å; P148-F202 HydrophobicContact CG-CB 4.33Å; P148-S203 VanDerWaalsContact CG-O 3.24Å; P148-S203 WeakPolarHBondContact CG-O 3.41Å
149D95.8Very high96.5Very high78 Ų7839.1 Ų39.142%0.41720%0.203SC..THydrogen-bonded Turntrans-81.6-16.4174.563.66.8000113.1S147 R151S147-D149 WeakPolarHBondContact CB-OD1 3.2Å; S147-D149 PolarHBondContact O-N 3.11Å; S147-D149 PolarHBondContact OG-OD1 3.46Å; D149-R151 HydrophobicContact CB-CG 4.48Å; D149-R151 PolarHBondContact OD1-N 2.91Å
150G96.9Very high97Very high0 Ų035.7 Ų35.70%017%0.167CC..SBendtrans85.70.1178.500000115.1H85 S147 F166H85-G150 WeakPolarHBondContact NE2-CA 3.1Å; H85-G150 PolarHBondContact NE2-O 2.99Å; S147-G150 WeakPolarHBondContact O-CA 3.48Å; S147-G150 PolarHBondContact O-N 3.36Å; G150-F166 WeakPolarHBondContact O-CE2 3.46Å
151R97Very high97.3Very high103 Ų10329.4 Ų29.439%0.38914%0.143SC..SBendtrans-76.3-26.3-174.9-66.5-179.5-178.9-157.7-5.6113.8S147 D149 E172S147-R151 PolarHBondContact OG-N 3.23Å; D149-R151 HydrophobicContact CB-CG 4.48Å; D149-R151 PolarHBondContact OD1-N 2.91Å; R151-E172 HydrophobicContact CG-CG 4.22Å; R151-E172 IonicContact CZ-OE1 3.35Å; R151-E172 IonicContact NE-OE1 2.78Å; R151-E172 PolarHBondContact NE-OE1 2.99Å; R151-E172 IonicContact NH2-OE1 3.03Å; R151-E172 PolarHBondContact NH2-OE1 2.78Å
152M97.4Very high97.5Very high39 Ų3927.4 Ų27.419%0.19213%0.131CC..EExtended strand (participates in β ladder)trans-123.7153.6-178.9-58.4-176.571.700111.7S147 L163 L164 C170 I187 F202S147-M152 WeakPolarHBondContact CB-O 3.36Å; S147-M152 PolarHBondContact N-O 3.21Å; S147-M152 WeakPolarHBondContact OG-CA 3.25Å; S147-M152 PolarHBondContact OG-N 3.34Å; S147-M152 PolarHBondContact OG-O 3.24Å; M152-L163 HydrophobicContact CE-CB 3.78Å; M152-L163 HydrophobicContact CE-CD1 4.07Å; M152-L163 HydrophobicContact CE-CG 4.44Å; M152-L164 CarbonylContact C-O 3.58Å; M152-L164 VanDerWaalsContact CA-O 3.3Å; M152-L164 WeakPolarHBondContact CA-O 3.3Å; M152-C170 HydrophobicContact CG-CB 4.07Å; M152-I187 HydrophobicContact CE-CB 4.27Å; M152-I187 HydrophobicContact CE-CG1 4.33Å; M152-I187 HydrophobicContact CE-CG2 4.17Å; M152-F202 HydrophobicContact CB-CZ 4.31Å
153I98.6Very high97.6Very high1 Ų128.2 Ų28.21%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-118.2134172.6-63.8157.5000108.2L92 V107 L144 C145 F146 L163 L164 F166 L184L92-I153 HydrophobicContact CD1-CD1 3.81Å; L92-I153 HydrophobicContact CD1-CG1 4.45Å; L92-I153 HydrophobicContact CD1-CG2 4.44Å; L92-I153 HydrophobicContact CD2-CD1 4.32Å; L92-I153 HydrophobicContact CD2-CG1 4.06Å; L92-I153 HydrophobicContact CD2-CG2 3.84Å; V107-I153 HydrophobicContact CG2-CD1 3.96Å; L144-I153 HydrophobicContact CD1-CG2 4.04Å; C145-I153 CarbonylContact O-C 3.48Å; C145-I153 WeakPolarHBondContact O-CA 3.21Å; F146-I153 HydrophobicContact CD1-CD1 4.46Å; F146-I153 HydrophobicContact CD1-CG1 3.63Å; F146-I153 HydrophobicContact CE1-CD1 3.87Å; F146-I153 HydrophobicContact CE1-CG1 3.54Å; F146-I153 HydrophobicContact CZ-CG1 4.43Å; I153-L163 CarbonylContact O-C 3.58Å; I153-L163 WeakPolarHBondContact O-CA 3.45Å; I153-L164 HydrophobicContact CB-CB 4.18Å; I153-L164 HydrophobicContact CG2-CD1 4.28Å; I153-L164 PolarHBondContact N-O 3.49Å; I153-L164 PolarHBondContact O-N 2.8Å; I153-F166 HydrophobicContact CD1-CE1 4.34Å; I153-L184 HydrophobicContact CD1-CD1 3.99Å; I153-L184 HydrophobicContact CD1-CD2 4.25Å
154S98.3Very high97.7Very high0 Ų025.1 Ų25.10%012%0.121CC..EExtended strand (participates in β ladder)trans-100.1122166.4-176.40000108.1L144 C145 R162 T200 F202L144-S154 VanDerWaalsContact CA-O 3.3Å; L144-S154 WeakPolarHBondContact CA-O 3.32Å; L144-S154 VanDerWaalsContact CB-O 3.25Å; L144-S154 WeakPolarHBondContact CB-O 3.31Å; C145-S154 PolarHBondContact N-O 3.02Å; C145-S154 PolarHBondContact O-N 2.83Å; S154-R162 WeakPolarHBondContact CA-O 3.23Å; S154-T200 WeakPolarHBondContact O-CG2 3.26Å; S154-T200 WeakPolarHBondContact OG-CB 3.33Å; S154-T200 WeakPolarHBondContact OG-CG2 3.33Å; S154-T200 PolarHBondContact OG-OG1 2.73Å; S154-F202 VanDerWaalsContact CB-CE2 3.44Å
155S98.4Very high97.7Very high0 Ų025.1 Ų25.10%012%0.121CC..EExtended strand (participates in β ladder)trans-119.4128.7-179.7-173.50000111.6R94 E133 H157 I161 R162R94-S155 PolarHBondContact NH1-OG 2.78Å; R94-S155 VanDerWaalsContact NH1-OG 3.13Å; E133-S155 VanDerWaalsContact CD-OG 3.28Å; E133-S155 WeakPolarHBondContact OE1-CB 3.46Å; E133-S155 PolarHBondContact OE1-OG 3.32Å; S155-H157 PolarHBondContact O-N 2.9Å; S155-I161 CarbonylContact O-C 3.59Å; S155-I161 VanDerWaalsContact O-CA 3.3Å; S155-I161 WeakPolarHBondContact O-CA 3.32Å; S155-R162 PolarHBondContact N-O 3.39Å; S155-R162 PolarHBondContact O-N 3.27Å
156P98.1Very high97.7Very high0 Ų025.3 Ų25.30%012%0.121CC..EExtended strand (participates in β ladder)trans-59.1132.5168.3-2435.7000111.7R94 K142 E143 V197 T200R94-P156 PolarHBondContact NH1-O 3.4Å; K142-P156 HydrophobicContact CB-CB 4.25Å; K142-P156 HydrophobicContact CB-CG 4.4Å; K142-P156 HydrophobicContact CG-CB 4.3Å; E143-P156 WeakPolarHBondContact O-CG 3.38Å; P156-V197 HydrophobicContact CB-CB 4.26Å; P156-V197 HydrophobicContact CB-CG1 3.93Å; P156-V197 WeakPolarHBondContact CB-O 3.19Å; P156-V197 HydrophobicContact CG-CG1 4.43Å; P156-T200 HydrophobicContact CG-CG2 4.07Å
157H97.6Very high97.7Very high32 Ų3226 Ų2615%0.14813%0.125CC..EExtended strand (participates in β ladder)trans-151.598.5-175.5-164.482.5000111.8E133 A134 S155 Y159 G160 R162E133-H157 IonicContact OE2-ND1 3.55Å; E133-H157 PolarHBondContact OE2-ND1 3.13Å; E133-H157 VanDerWaalsContact OE2-ND1 3.12Å; A134-H157 VanDerWaalsContact CB-CE1 3.49Å; A134-H157 WeakPolarHBondContact CB-CE1 3.36Å; A134-H157 PolarHBondContact N-CE1 2.81Å; A134-H157 VanDerWaalsContact N-CE1 3.33Å; A134-H157 PolarHBondContact N-ND1 2.84Å; S155-H157 PolarHBondContact O-N 2.9Å; H157-Y159 PolarHBondContact O-N 2.82Å; H157-G160 CarbonylContact C-O 3.54Å; H157-G160 PolarHBondContact N-O 2.95Å; H157-G160 CarbonylContact O-C 3.56Å; H157-G160 PolarHBondContact O-N 3.11Å; H157-R162 HydrophobicContact CB-CG 3.75Å; H157-R162 VanDerWaalsContact CE1-CZ 3.4Å; H157-R162 PolarHBondContact ND1-NE 3.31Å; H157-R162 VanDerWaalsContact ND1-NE 3.19Å; H157-R162 PolarHBondContact ND1-NH2 2.85Å
158G97Very high97.6Very high10 Ų1033.4 Ų33.410%0.10316%0.157CC..THydrogen-bonded Turntrans58.9-126.6-174.800000112.1G160 V196 V197G158-G160 PolarHBondContact O-N 3.25Å; G158-V196 CarbonylContact O-C 3.52Å; G158-V196 WeakPolarHBondContact O-CA 3.34Å; G158-V197 PolarHBondContact O-N 3.33Å
159Y97.8Very high97.7Very high125 Ų12537 Ų3749%0.4917%0.168SC..THydrogen-bonded Turntrans-85.219.7-176.5-62.3-99.3000113.1H157 S192 H193 N194H157-Y159 PolarHBondContact O-N 2.82Å; Y159-S192 PolarHBondContact O-N 3.23Å; Y159-H193 WeakPolarHBondContact O-CB 3.38Å; Y159-H193 PolarHBondContact O-N 3.34Å; Y159-H193 VanDerWaalsContact O-N 3.09Å; Y159-N194 VanDerWaalsContact CD1-C 3.48Å; Y159-N194 WeakPolarHBondContact CE1-O 3.14Å
160G98Very high97.7Very high0 Ų034.4 Ų34.40%016%0.156CC..EExtended strand (participates in β ladder)trans-162.4-164.2-172.200000113.8H157 G158 L190 V197H157-G160 CarbonylContact C-O 3.54Å; H157-G160 PolarHBondContact N-O 2.95Å; H157-G160 CarbonylContact O-C 3.56Å; H157-G160 PolarHBondContact O-N 3.11Å; G158-G160 PolarHBondContact O-N 3.25Å; G160-L190 CarbonylContact C-O 3.52Å; G160-L190 WeakPolarHBondContact CA-O 3.42Å; G160-V197 WeakPolarHBondContact O-CB 3.46Å; G160-V197 WeakPolarHBondContact O-CG2 3.38Å
161I98Very high97.7Very high0 Ų036.1 Ų36.10%017%0.167CC..EExtended strand (participates in β ladder)trans-123.9151.7173.861.7171.5000110.7S155 L163 L190 V197 T200 I209 Y221S155-I161 CarbonylContact O-C 3.59Å; S155-I161 VanDerWaalsContact O-CA 3.3Å; S155-I161 WeakPolarHBondContact O-CA 3.32Å; I161-L163 HydrophobicContact CD1-CD2 4.4Å; I161-L190 HydrophobicContact CD1-CD1 4Å; I161-L190 HydrophobicContact CG1-CB 3.86Å; I161-L190 HydrophobicContact CG1-CD1 4.13Å; I161-L190 HydrophobicContact CG1-CG 4.46Å; I161-L190 PolarHBondContact N-O 3.19Å; I161-L190 PolarHBondContact O-N 3.38Å; I161-V197 HydrophobicContact CG2-CG1 3.97Å; I161-T200 HydrophobicContact CG2-CG2 4.5Å; I161-I209 HydrophobicContact CD1-CG2 3.74Å; I161-Y221 HydrophobicContact CD1-CD2 3.85Å; I161-Y221 HydrophobicContact CD1-CE2 3.58Å; I161-Y221 HydrophobicContact CG1-CE2 4.18Å
162R97.6Very high97.7Very high21 Ų2131.9 Ų31.98%0.07915%0.152CC..EExtended strand (participates in β ladder)trans-105.5135164-64.7-174.3-60.7-178.91.2109.5E132 E133 S154 S155 H157 L164 R188E132-R162 PolarHBondContact O-NH1 3.09Å; E132-R162 PolarHBondContact O-NH2 2.89Å; E133-R162 IonicContact OE1-NH2 3.26Å; E133-R162 PolarHBondContact OE1-NH2 3.31Å; E133-R162 VanDerWaalsContact OE1-NH2 3.07Å; E133-R162 IonicContact OE2-CZ 3.82Å; E133-R162 IonicContact OE2-NE 2.88Å; E133-R162 IonicContact OE2-NH2 3.63Å; E133-R162 PolarHBondContact OE2-NH2 3.49Å; S154-R162 WeakPolarHBondContact CA-O 3.23Å; S155-R162 PolarHBondContact N-O 3.39Å; S155-R162 PolarHBondContact O-N 3.27Å; H157-R162 HydrophobicContact CB-CG 3.75Å; H157-R162 VanDerWaalsContact CE1-CZ 3.4Å; H157-R162 PolarHBondContact ND1-NE 3.31Å; H157-R162 VanDerWaalsContact ND1-NE 3.19Å; H157-R162 PolarHBondContact ND1-NH2 2.85Å; R162-L164 HydrophobicContact CB-CD2 3.73Å; R162-L164 HydrophobicContact CB-CG 4.28Å; R162-R188 CarbonylContact C-O 3.48Å; R162-R188 WeakPolarHBondContact CA-O 3.38Å
163L98.1Very high97.5Very high19 Ų1930 Ų3010%0.09914%0.143CC..EExtended strand (participates in β ladder)trans-90.8121.2162.2-58.8-173.1000107.9M152 I153 I161 I187 R188 L190 F202 I209M152-L163 HydrophobicContact CE-CB 3.78Å; M152-L163 HydrophobicContact CE-CD1 4.07Å; M152-L163 HydrophobicContact CE-CG 4.44Å; I153-L163 CarbonylContact O-C 3.58Å; I153-L163 WeakPolarHBondContact O-CA 3.45Å; I161-L163 HydrophobicContact CD1-CD2 4.4Å; L163-I187 HydrophobicContact CB-CB 4.45Å; L163-I187 WeakPolarHBondContact O-CB 3.43Å; L163-I187 PolarHBondContact O-N 3.45Å; L163-R188 HydrophobicContact CB-CB 4.28Å; L163-R188 HydrophobicContact CD1-CB 4.29Å; L163-R188 HydrophobicContact CG-CB 4.46Å; L163-R188 PolarHBondContact N-O 3.2Å; L163-R188 PolarHBondContact O-N 2.92Å; L163-L190 HydrophobicContact CD1-CD1 4.41Å; L163-F202 HydrophobicContact CD2-CZ 4.13Å; L163-I209 HydrophobicContact CD1-CD1 4.15Å; L163-I209 HydrophobicContact CD2-CD1 3.49Å; L163-I209 VanDerWaalsContact CD2-CD1 3.49Å; L163-I209 HydrophobicContact CG-CD1 4.45Å
164L98.7Very high97.3Very high0 Ų033.6 Ų33.60%017%0.165CC..EExtended strand (participates in β ladder)trans-115.2140.6-176.1-47.5173.5000109.2I131 M152 I153 R162 L184 R185 V186I131-L164 HydrophobicContact CD1-CD2 4.11Å; I131-L164 HydrophobicContact CG2-CD1 3.96Å; M152-L164 CarbonylContact C-O 3.58Å; M152-L164 VanDerWaalsContact CA-O 3.3Å; M152-L164 WeakPolarHBondContact CA-O 3.3Å; I153-L164 HydrophobicContact CB-CB 4.18Å; I153-L164 HydrophobicContact CG2-CD1 4.28Å; I153-L164 PolarHBondContact N-O 3.49Å; I153-L164 PolarHBondContact O-N 2.8Å; R162-L164 HydrophobicContact CB-CD2 3.73Å; R162-L164 HydrophobicContact CB-CG 4.28Å; L164-L184 HydrophobicContact CB-CB 4.39Å; L164-L184 HydrophobicContact CB-CD1 4.41Å; L164-L184 HydrophobicContact CD1-CD1 3.93Å; L164-R185 CarbonylContact C-O 3.58Å; L164-R185 VanDerWaalsContact CA-O 3.24Å; L164-R185 WeakPolarHBondContact CA-O 3.28Å; L164-V186 HydrophobicContact CD2-CB 4.4Å; L164-V186 HydrophobicContact CD2-CG2 3.85Å
165G98.3Very high97.1Very high1 Ų139.5 Ų39.51%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-123163.1171.700000110.8D167 R185G165-D167 VanDerWaalsContact C-N 3.34Å; G165-R185 PolarHBondContact N-O 2.98Å; G165-R185 PolarHBondContact O-N 3.07Å
166F98.3Very high96.9Very high9 Ų941 Ų414%0.03921%0.206CC..SBendtrans-71.7-33.4173.5-54.2-67.5000111.5V107 H129 F146 G150 I153 S171 L173 C176 L184V107-F166 HydrophobicContact CG1-CE1 4.15Å; V107-F166 HydrophobicContact CG2-CE1 4.31Å; H129-F166 AromaticContact CE1-CD1 3.93Å; H129-F166 AromaticContact ND1-CD1 3.84Å; F146-F166 AromaticContact CE1-CZ 3.99Å; F146-F166 HydrophobicContact CE1-CZ 3.99Å; G150-F166 WeakPolarHBondContact O-CE2 3.46Å; I153-F166 HydrophobicContact CD1-CE1 4.34Å; F166-S171 WeakPolarHBondContact CD2-O 2.93Å; F166-L173 HydrophobicContact CD1-CB 4.03Å; F166-L173 HydrophobicContact CD1-CD1 3.83Å; F166-L173 HydrophobicContact CD1-CG 4.48Å; F166-L173 HydrophobicContact CD2-CB 3.69Å; F166-L173 HydrophobicContact CE1-CB 3.89Å; F166-L173 HydrophobicContact CE1-CD1 3.97Å; F166-L173 HydrophobicContact CE1-CD2 4.28Å; F166-L173 HydrophobicContact CE1-CG 4.28Å; F166-L173 HydrophobicContact CE2-CB 3.53Å; F166-L173 HydrophobicContact CG-CB 3.93Å; F166-L173 HydrophobicContact CG-CD1 4.3Å; F166-L173 HydrophobicContact CZ-CB 3.62Å; F166-L173 HydrophobicContact CZ-CD2 4.3Å; F166-L173 HydrophobicContact CZ-CG 4.38Å; F166-C176 WeakPolarHBondContact CB-SG 3.48Å; F166-L184 HydrophobicContact CD1-CD2 3.85Å; F166-L184 HydrophobicContact CE1-CD2 4.26Å
167D97.5Very high96.7Very high31 Ų3143.8 Ų43.817%0.16622%0.221CC..SBendtrans-134.3-172.6168.96710.9000110.8G165 Q169 C170 S171 I187G165-D167 VanDerWaalsContact C-N 3.34Å; D167-Q169 VanDerWaalsContact C-N 3.26Å; D167-Q169 PolarHBondContact O-N 3.13Å; D167-Q169 WeakPolarHBondContact OD1-CA 3.43Å; D167-Q169 PolarHBondContact OD1-N 2.81Å; D167-C170 PolarHBondContact OD1-N 3.35Å; D167-S171 PolarHBondContact OD1-N 3.12Å; D167-S171 PolarHBondContact OD1-OG 2.59Å; D167-S171 WeakPolarHBondContact OD2-CB 3.14Å; D167-S171 PolarHBondContact OD2-OG 3.07Å; D167-I187 WeakPolarHBondContact O-CD1 3.02Å
168K96.3Very high96.6Very high162 Ų16243.5 Ų43.570%0.70422%0.222SC*.THydrogen-bonded Turntrans-75.5-17.8179.1-67.3-176.7179179.70112.9
169Q97.3Very high96.3Very high145 Ų14553.2 Ų53.268%0.67826%0.261SS*.THydrogen-bonded Turntrans-92.2-5.3-176.4-71.973.217.500112D167 S171D167-Q169 VanDerWaalsContact C-N 3.26Å; D167-Q169 PolarHBondContact O-N 3.13Å; D167-Q169 WeakPolarHBondContact OD1-CA 3.43Å; D167-Q169 PolarHBondContact OD1-N 2.81Å; Q169-S171 PolarHBondContact O-N 2.8Å
170C96.8Very high96.1Very high24 Ų2455.2 Ų55.216%0.16228%0.275CS..  trans56.142.5-171.4-53.60000111.2M152 D167M152-C170 HydrophobicContact CG-CB 4.07Å; D167-C170 PolarHBondContact OD1-N 3.35Å
171S97.2Very high96Very high36 Ų3657 Ų5725%0.25229%0.29SS..  trans-63.2160.9173.9-56.20000111F166 D167 Q169F166-S171 WeakPolarHBondContact CD2-O 2.93Å; D167-S171 PolarHBondContact OD1-N 3.12Å; D167-S171 PolarHBondContact OD1-OG 2.59Å; D167-S171 WeakPolarHBondContact OD2-CB 3.14Å; D167-S171 PolarHBondContact OD2-OG 3.07Å; Q169-S171 PolarHBondContact O-N 2.8Å
172E96.1Very high95.9Very high14 Ų1458.6 Ų58.67%0.06530%0.301CS..  trans-64.9142.1169.6-62.8-84.6-18000109.7K87 R151 V174 D175 C176K87-E172 IonicContact NZ-OE1 3.37Å; K87-E172 PolarHBondContact NZ-OE1 3.1Å; K87-E172 IonicContact NZ-OE2 2.72Å; K87-E172 PolarHBondContact NZ-OE2 2.82Å; R151-E172 HydrophobicContact CG-CG 4.22Å; R151-E172 IonicContact CZ-OE1 3.35Å; R151-E172 IonicContact NE-OE1 2.78Å; R151-E172 PolarHBondContact NE-OE1 2.99Å; R151-E172 IonicContact NH2-OE1 3.03Å; R151-E172 PolarHBondContact NH2-OE1 2.78Å; E172-V174 HydrophobicContact CB-CG2 3.97Å; E172-V174 PolarHBondContact O-N 2.9Å; E172-D175 WeakPolarHBondContact CB-OD2 3.21Å; E172-D175 PolarHBondContact O-N 2.86Å; E172-C176 PolarHBondContact O-N 2.72Å; E172-C176 PolarHBondContact O-SG 2.86Å
173L94.6Very high95.9Very high0 Ų060.3 Ų60.30%032%0.315CS..THydrogen-bonded Turntrans-54.4-29.3-179.1159.376.8000113.8W89 A90 V107 H129 F166 D175 C176 L177W89-L173 HydrophobicContact CE3-CD2 4.03Å; W89-L173 HydrophobicContact CE3-CG 4.31Å; W89-L173 VanDerWaalsContact CH2-CA 3.43Å; W89-L173 HydrophobicContact CH2-CB 3.12Å; W89-L173 HydrophobicContact CH2-CD2 3.74Å; W89-L173 HydrophobicContact CH2-CG 3.47Å; W89-L173 VanDerWaalsContact CH2-CG 3.47Å; W89-L173 HydrophobicContact CZ2-CB 3.87Å; W89-L173 HydrophobicContact CZ2-CD2 4.27Å; W89-L173 HydrophobicContact CZ2-CG 4.36Å; W89-L173 HydrophobicContact CZ3-CB 3.64Å; W89-L173 HydrophobicContact CZ3-CD2 3.55Å; W89-L173 HydrophobicContact CZ3-CG 3.37Å; A90-L173 HydrophobicContact CB-CD2 3.64Å; V107-L173 HydrophobicContact CG1-CD2 4.18Å; H129-L173 WeakPolarHBondContact CE1-CD1 3.24Å; H129-L173 WeakPolarHBondContact ND1-CD1 3.5Å; F166-L173 HydrophobicContact CD1-CB 4.03Å; F166-L173 HydrophobicContact CD1-CD1 3.83Å; F166-L173 HydrophobicContact CD1-CG 4.48Å; F166-L173 HydrophobicContact CD2-CB 3.69Å; F166-L173 HydrophobicContact CE1-CB 3.89Å; F166-L173 HydrophobicContact CE1-CD1 3.97Å; F166-L173 HydrophobicContact CE1-CD2 4.28Å; F166-L173 HydrophobicContact CE1-CG 4.28Å; F166-L173 HydrophobicContact CE2-CB 3.53Å; F166-L173 HydrophobicContact CG-CB 3.93Å; F166-L173 HydrophobicContact CG-CD1 4.3Å; F166-L173 HydrophobicContact CZ-CB 3.62Å; F166-L173 HydrophobicContact CZ-CD2 4.3Å; F166-L173 HydrophobicContact CZ-CG 4.38Å; L173-D175 VanDerWaalsContact C-N 3.34Å; L173-C176 CarbonylContact O-C 3.55Å; L173-C176 PolarHBondContact O-N 2.94Å; L173-L177 HydrophobicContact CD1-CD2 3.78Å; L173-L177 HydrophobicContact CG-CD2 4Å; L173-L177 WeakPolarHBondContact O-CD2 3.44Å; L173-L177 VanDerWaalsContact O-CG 3.25Å; L173-L177 WeakPolarHBondContact O-CG 3.43Å; L173-L177 PolarHBondContact O-N 3.36Å; L173-L177 VanDerWaalsContact O-N 3.08Å
174V92.8Very high95.9Very high76 Ų7659.7 Ų59.746%0.46131%0.312SS..THydrogen-bonded Turntrans-74.1-33.5-176.3-87.60000109.4W89 E172 C176W89-V174 HydrophobicContact CD2-CG1 4.21Å; W89-V174 HydrophobicContact CE3-CG1 3.43Å; W89-V174 VanDerWaalsContact CE3-CG1 3.43Å; W89-V174 HydrophobicContact CH2-CB 3.82Å; W89-V174 HydrophobicContact CH2-CG1 3.5Å; W89-V174 HydrophobicContact CH2-CG2 3.87Å; W89-V174 HydrophobicContact CZ2-CG1 4.32Å; W89-V174 HydrophobicContact CZ3-CB 3.69Å; W89-V174 HydrophobicContact CZ3-CG1 3.02Å; W89-V174 HydrophobicContact CZ3-CG2 4.25Å; E172-V174 HydrophobicContact CB-CG2 3.97Å; E172-V174 PolarHBondContact O-N 2.9Å; V174-C176 VanDerWaalsContact C-N 3.27Å
175D94.4Very high95.9Very high125 Ų12565.4 Ų65.467%0.66833%0.333SS*.THydrogen-bonded Turntrans-79.4-17.8-177.9-59.6-26.9000110.9E172 L173E172-D175 WeakPolarHBondContact CB-OD2 3.21Å; E172-D175 PolarHBondContact O-N 2.86Å; L173-D175 VanDerWaalsContact C-N 3.34Å
176C94.3Very high95.9Very high30 Ų3068.6 Ų68.620%0.20335%0.352CS..THydrogen-bonded Turntrans-132.133.7-176.769.70000113.5F166 E172 L173 V174 P178F166-C176 WeakPolarHBondContact CB-SG 3.48Å; E172-C176 PolarHBondContact O-N 2.72Å; E172-C176 PolarHBondContact O-SG 2.86Å; L173-C176 CarbonylContact O-C 3.55Å; L173-C176 PolarHBondContact O-N 2.94Å; V174-C176 VanDerWaalsContact C-N 3.27Å; C176-P178 WeakPolarHBondContact O-CD 3.17Å
177L94.9Very high95.9Very high60 Ų6071 Ų7131%0.31437%0.365SS..  trans-61122.6175.5-74.4171000110.6E109 T128 L173E109-L177 WeakPolarHBondContact OE1-CD1 3.44Å; T128-L177 HydrophobicContact CG2-CD2 3.93Å; L173-L177 HydrophobicContact CD1-CD2 3.78Å; L173-L177 HydrophobicContact CG-CD2 4Å; L173-L177 WeakPolarHBondContact O-CD2 3.44Å; L173-L177 VanDerWaalsContact O-CG 3.25Å; L173-L177 WeakPolarHBondContact O-CG 3.43Å; L173-L177 PolarHBondContact O-N 3.36Å; L173-L177 VanDerWaalsContact O-N 3.08Å
178P94.6Very high95.9Very high25 Ų2577.1 Ų77.116%0.16239%0.386CS..  trans-80150.2-179.635.8-37.2000110.1T128 H129 C176 E180T128-P178 WeakPolarHBondContact O-CG 3.3Å; H129-P178 VanDerWaalsContact CE1-CD 3.43Å; H129-P178 WeakPolarHBondContact CE1-CD 3.14Å; C176-P178 WeakPolarHBondContact O-CD 3.17Å; P178-E180 VanDerWaalsContact C-N 3.27Å; P178-E180 WeakPolarHBondContact CB-O 3.07Å; P178-E180 WeakPolarHBondContact CG-O 3.34Å; P178-E180 PolarHBondContact O-N 2.79Å
179K91.9Very high95.9Very high215 Ų21571.8 Ų71.894%0.93537%0.369SS*.SBendtrans-65-35.3176.3-68.9-177.1178.6179.50112
180E93.2Very high95.9Very high166 Ų16666.7 Ų66.778%0.77635%0.346SS*.SBendtrans-128.4154.3176.1-65.1-179179.600108.7P178 S182P178-E180 VanDerWaalsContact C-N 3.27Å; P178-E180 WeakPolarHBondContact CB-O 3.07Å; P178-E180 WeakPolarHBondContact CG-O 3.34Å; P178-E180 PolarHBondContact O-N 2.79Å; E180-S182 PolarHBondContact O-N 3.44Å
181A95.5Very high95.8Very high39 Ų3972.1 Ų72.132%0.32236%0.364SS..  trans-54.6128.9-179.900000111L127 T128 Y130L127-A181 HydrophobicContact CB-CB 4.44Å; L127-A181 HydrophobicContact CD2-CB 3.81Å; L127-A181 HydrophobicContact CG-CB 3.81Å; T128-A181 WeakPolarHBondContact O-CA 3.43Å; Y130-A181 HydrophobicContact CD1-CB 4.12Å; Y130-A181 HydrophobicContact CE1-CB 4.03Å
182S96.3Very high95.6Very high32 Ų3272.7 Ų72.722%0.22437%0.368CS..EExtended strand (participates in β ladder)trans-131.6157.3-172.276.40000113.4T128 H129 Y130 E180T128-S182 PolarHBondContact O-N 2.82Å; H129-S182 WeakPolarHBondContact CA-O 3.18Å; Y130-S182 PolarHBondContact N-O 3.43Å; Y130-S182 VanDerWaalsContact N-O 3.11Å; E180-S182 PolarHBondContact O-N 3.44Å
183P97.6Very high95.7Very high57 Ų5772.4 Ų72.437%0.3737%0.367SS..EExtended strand (participates in β ladder)trans-67.1137.3-178.8-24.135.1000113.6Y130Y130-P183 HydrophobicContact CE2-CG 4.28Å; Y130-P183 CarbonylContact O-C 3.41Å; Y130-P183 WeakPolarHBondContact O-CA 3.13Å
184L98.5Very high95.8Very high6 Ų678.2 Ų78.23%0.03140%0.398CS..PPolyproline II helixtrans-58.4147.9164.5-70.6170.9000110.3T105 V107 H129 Y130 I131 I153 L164 F166T105-L184 HydrophobicContact CG2-CD1 4.08Å; V107-L184 HydrophobicContact CG2-CD1 4.2Å; V107-L184 HydrophobicContact CG2-CD2 4.26Å; H129-L184 HydrophobicContact CB-CD2 3.55Å; H129-L184 HydrophobicContact CB-CG 3.78Å; Y130-L184 PolarHBondContact O-N 2.79Å; I131-L184 HydrophobicContact CB-CB 4.2Å; I131-L184 HydrophobicContact CG2-CB 4.36Å; I131-L184 HydrophobicContact CG2-CD1 4.02Å; I153-L184 HydrophobicContact CD1-CD1 3.99Å; I153-L184 HydrophobicContact CD1-CD2 4.25Å; L164-L184 HydrophobicContact CB-CB 4.39Å; L164-L184 HydrophobicContact CB-CD1 4.41Å; L164-L184 HydrophobicContact CD1-CD1 3.93Å; F166-L184 HydrophobicContact CD1-CD2 3.85Å; F166-L184 HydrophobicContact CE1-CD2 4.26Å
185R98.3Very high96Very high120 Ų12076.9 Ų76.945%0.45339%0.388SS..EExtended strand (participates in β ladder)trans-93.8124.2178.8-59.1-53.5-176.7174.1-2.9110.5L164 G165 I187L164-R185 CarbonylContact C-O 3.58Å; L164-R185 VanDerWaalsContact CA-O 3.24Å; L164-R185 WeakPolarHBondContact CA-O 3.28Å; G165-R185 PolarHBondContact N-O 2.98Å; G165-R185 PolarHBondContact O-N 3.07Å; R185-I187 HydrophobicContact CB-CD1 4.3Å; R185-I187 PolarHBondContact O-N 2.8Å
186V98.6Very high96.2Very high68 Ų6871.4 Ų71.441%0.41236%0.359SS..EExtended strand (participates in β ladder)trans-72.4111.1169.4-176.20000108.3I131 L164I131-V186 HydrophobicContact CD1-CG2 3.77Å; L164-V186 HydrophobicContact CD2-CB 4.4Å; L164-V186 HydrophobicContact CD2-CG2 3.85Å
187I97.9Very high96.4Very high61 Ų6170 Ų7031%0.31335%0.35SS..EExtended strand (participates in β ladder)trans-83.3-41.4177.8-54.1-57.3000110.1M152 L163 D167 R185M152-I187 HydrophobicContact CE-CB 4.27Å; M152-I187 HydrophobicContact CE-CG1 4.33Å; M152-I187 HydrophobicContact CE-CG2 4.17Å; L163-I187 HydrophobicContact CB-CB 4.45Å; L163-I187 WeakPolarHBondContact O-CB 3.43Å; L163-I187 PolarHBondContact O-N 3.45Å; D167-I187 WeakPolarHBondContact O-CD1 3.02Å; R185-I187 HydrophobicContact CB-CD1 4.3Å; R185-I187 PolarHBondContact O-N 2.8Å
188R96.4Very high96.6Very high159 Ų15968.7 Ų68.760%0.634%0.343SS*.EExtended strand (participates in β ladder)trans-158.4145-179.3-171.6165.8-75.1-109.70.1111R162 L163 L190R162-R188 CarbonylContact C-O 3.48Å; R162-R188 WeakPolarHBondContact CA-O 3.38Å; L163-R188 HydrophobicContact CB-CB 4.28Å; L163-R188 HydrophobicContact CD1-CB 4.29Å; L163-R188 HydrophobicContact CG-CB 4.46Å; L163-R188 PolarHBondContact N-O 3.2Å; L163-R188 PolarHBondContact O-N 2.92Å; R188-L190 HydrophobicContact CG-CD2 3.89Å; R188-L190 HydrophobicContact CG-CG 4.15Å
189S97.1Very high96.7Very high49 Ų4969.7 Ų69.734%0.34335%0.348SS..EExtended strand (participates in β ladder)trans-113.3134.1168-57.60000109.4
190L96.1Very high97.1Very high38 Ų3859.5 Ų59.520%0.19930%0.304CS..EExtended strand (participates in β ladder)trans-126106.2-176.1-61.2172000108.7G160 I161 L163 R188 Y221G160-L190 CarbonylContact C-O 3.52Å; G160-L190 WeakPolarHBondContact CA-O 3.42Å; I161-L190 HydrophobicContact CD1-CD1 4Å; I161-L190 HydrophobicContact CG1-CB 3.86Å; I161-L190 HydrophobicContact CG1-CD1 4.13Å; I161-L190 HydrophobicContact CG1-CG 4.46Å; I161-L190 PolarHBondContact N-O 3.19Å; I161-L190 PolarHBondContact O-N 3.38Å; L163-L190 HydrophobicContact CD1-CD1 4.41Å; R188-L190 HydrophobicContact CG-CD2 3.89Å; R188-L190 HydrophobicContact CG-CG 4.15Å; L190-Y221 HydrophobicContact CB-CD1 4.19Å; L190-Y221 HydrophobicContact CB-CE1 3.9Å; L190-Y221 HydrophobicContact CD1-CD1 3.88Å; L190-Y221 HydrophobicContact CD1-CE1 4.36Å; L190-Y221 HydrophobicContact CD1-CG 4.07Å
191Y95.7Very high97.3Very high139 Ų13955.8 Ų55.855%0.54529%0.286SS..EExtended strand (participates in β ladder)trans-106120.5178.7-61.2-84.4000109.5
192S93.8Very high97.4Very high47 Ų4755.8 Ų55.833%0.32928%0.278SS..  trans-146.1-6.2-175.562.50000113.6Y159 S219 Y221Y159-S192 PolarHBondContact O-N 3.23Å; S192-S219 WeakPolarHBondContact OG-CB 3.45Å; S192-S219 PolarHBondContact OG-OG 3.28Å; S192-Y221 WeakPolarHBondContact OG-CE1 3.29Å; S192-Y221 PolarHBondContact OG-OH 3.4Å
193H97.6Very high97.4Very high9 Ų955.4 Ų55.44%0.04228%0.275CS..  trans-102.3154.4-177.8-67.7-82.4000110.4Y159 D195 V197 S211 C213 R217 S219Y159-H193 WeakPolarHBondContact O-CB 3.38Å; Y159-H193 PolarHBondContact O-N 3.34Å; Y159-H193 VanDerWaalsContact O-N 3.09Å; H193-D195 VanDerWaalsContact C-N 3.34Å; H193-D195 WeakPolarHBondContact CB-O 3.47Å; H193-V197 HydrophobicContact CB-CG2 4.06Å; H193-V197 WeakPolarHBondContact CD2-CG2 3.35Å; H193-S211 PolarHBondContact CE1-O 3.33Å; H193-S211 PolarHBondContact NE2-OG 3.33Å; H193-C213 HydrophobicContact CB-CB 4.09Å; H193-C213 PolarHBondContact ND1-SG 3.4Å; H193-R217 PolarHBondContact CE1-O 3.44Å; H193-S219 PolarHBondContact CE1-OG 2.83Å; H193-S219 WeakPolarHBondContact NE2-CB 3.45Å; H193-S219 PolarHBondContact NE2-OG 3.13Å
194N96.5Very high97.2Very high122 Ų12257.8 Ų57.865%0.65229%0.291SS*.SBendtrans-97.55.7172.3-64.3-21.2000111.6Y159 R217Y159-N194 VanDerWaalsContact CD1-C 3.48Å; Y159-N194 WeakPolarHBondContact CE1-O 3.14Å; N194-R217 PolarHBondContact ND2-NH1 3.31Å
195D97.9Very high97Very high47 Ų4763 Ų6325%0.25132%0.323SS..SBendtrans-146168.9-179.9-155.1-14.7000110.3H193 V197 C213 L214 S215H193-D195 VanDerWaalsContact C-N 3.34Å; H193-D195 WeakPolarHBondContact CB-O 3.47Å; D195-V197 PolarHBondContact O-N 2.82Å; D195-C213 HydrophobicContact CB-CB 4.34Å; D195-L214 HydrophobicContact CB-CB 4.44Å; D195-L214 VanDerWaalsContact OD2-CB 3.26Å; D195-L214 WeakPolarHBondContact OD2-CB 3.04Å; D195-S215 PolarHBondContact OD2-N 3.45Å
196V97.9Very high96.7Very high11 Ų1162.8 Ų62.87%0.06733%0.327CS..  trans-64.4125.6-175.8-177.70000110.8V136 G158 L198 C213 L214V136-V196 HydrophobicContact CB-CG2 4.38Å; V136-V196 HydrophobicContact CG2-CG1 4.09Å; V136-V196 HydrophobicContact CG2-CG2 4.33Å; G158-V196 CarbonylContact O-C 3.52Å; G158-V196 WeakPolarHBondContact O-CA 3.34Å; V196-L198 HydrophobicContact CG1-CD2 4.37Å; V196-C213 CarbonylContact O-C 3.58Å; V196-C213 WeakPolarHBondContact O-CA 3.45Å; V196-C213 WeakPolarHBondContact O-CB 3.39Å; V196-L214 HydrophobicContact CB-CD1 3.84Å; V196-L214 HydrophobicContact CB-CG 4.36Å; V196-L214 HydrophobicContact CG2-CD1 4.26Å; V196-L214 PolarHBondContact O-N 2.87Å
197V98.5Very high96.3Very high0 Ų064.5 Ų64.50%034%0.341CS..EExtended strand (participates in β ladder)trans-73.9129.7175.5-178.10000109.5P156 G158 G160 I161 H193 D195 G212 C213P156-V197 HydrophobicContact CB-CB 4.26Å; P156-V197 HydrophobicContact CB-CG1 3.93Å; P156-V197 WeakPolarHBondContact CB-O 3.19Å; P156-V197 HydrophobicContact CG-CG1 4.43Å; G158-V197 PolarHBondContact O-N 3.33Å; G160-V197 WeakPolarHBondContact O-CB 3.46Å; G160-V197 WeakPolarHBondContact O-CG2 3.38Å; I161-V197 HydrophobicContact CG2-CG1 3.97Å; H193-V197 HydrophobicContact CB-CG2 4.06Å; H193-V197 WeakPolarHBondContact CD2-CG2 3.35Å; D195-V197 PolarHBondContact O-N 2.82Å; V197-G212 WeakPolarHBondContact CG1-O 3.17Å; V197-C213 HydrophobicContact CG2-CB 4.29Å
198L98.1Very high96.2Very high32 Ų3265.2 Ų65.217%0.16834%0.343CS..EExtended strand (participates in β ladder)trans-109.9-22.6-179.1-63.9-171.1000113.2Y140 K142 E143 V196 G212 L214Y140-L198 HydrophobicContact CD1-CD1 3.91Å; Y140-L198 HydrophobicContact CG-CD1 4.25Å; Y140-L198 HydrophobicContact CG-CD2 4.26Å; K142-L198 CarbonylContact C-O 3.51Å; K142-L198 VanDerWaalsContact CA-O 3.23Å; K142-L198 WeakPolarHBondContact CA-O 3.06Å; K142-L198 HydrophobicContact CG-CD2 4.03Å; E143-L198 PolarHBondContact N-O 2.9Å; V196-L198 HydrophobicContact CG1-CD2 4.37Å; L198-G212 PolarHBondContact N-O 3.28Å; L198-L214 HydrophobicContact CD1-CD2 3.52Å; L198-L214 HydrophobicContact CD1-CG 3.94Å; L198-L214 HydrophobicContact CD2-CD2 4.35Å; L198-L214 HydrophobicContact CD2-CG 4.18Å; L198-L214 HydrophobicContact CG-CD2 4.16Å; L198-L214 HydrophobicContact CG-CG 4.04Å
199T98.3Very high96.2Very high46 Ų4658.5 Ų58.528%0.28232%0.319SS..EExtended strand (participates in β ladder)trans-148.6149.8-176.2-171.40000111.2S211 G212T199-S211 CarbonylContact O-C 3.45Å; T199-S211 WeakPolarHBondContact O-CA 3.28Å; T199-S211 WeakPolarHBondContact O-CB 3.4Å; T199-G212 PolarHBondContact N-O 2.94Å; T199-G212 PolarHBondContact O-N 3.21Å
200T98.5Very high96.3Very high1 Ų157.7 Ų57.71%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-145.2146.3172.8-175.90000110.9E143 C145 S154 P156 I161 I209 A210E143-T200 PolarHBondContact O-N 3.03Å; E143-T200 VanDerWaalsContact O-N 3.13Å; C145-T200 PolarHBondContact SG-O 3.26Å; S154-T200 WeakPolarHBondContact O-CG2 3.26Å; S154-T200 WeakPolarHBondContact OG-CB 3.33Å; S154-T200 WeakPolarHBondContact OG-CG2 3.33Å; S154-T200 PolarHBondContact OG-OG1 2.73Å; P156-T200 HydrophobicContact CG-CG2 4.07Å; I161-T200 HydrophobicContact CG2-CG2 4.5Å; T200-I209 WeakPolarHBondContact OG1-CG2 3.48Å; T200-A210 CarbonylContact C-O 3.48Å; T200-A210 WeakPolarHBondContact CA-O 3.5Å; T200-A210 PolarHBondContact OG1-O 3.11Å
201K98.1Very high96.4Very high89 Ų8956 Ų5639%0.38731%0.306SS..EExtended strand (participates in β ladder)trans-142.6133.7177.7-70.3-62.8178.9-175.30111.3C145 I209 A210C145-K201 HydrophobicContact CB-CD 4.1Å; C145-K201 VanDerWaalsContact SG-CA 3.52Å; K201-I209 CarbonylContact O-C 3.46Å; K201-I209 WeakPolarHBondContact O-CA 3.45Å; K201-A210 PolarHBondContact N-O 2.63Å; K201-A210 PolarHBondContact O-N 2.94Å
202F97.7Very high96.5Very high38 Ų3849.9 Ų49.917%0.16729%0.286CS..EExtended strand (participates in β ladder)trans-73.8144.3161.9-74.1-90.4000110.3F146 S147 P148 M152 S154 L163 I209F146-F202 WeakPolarHBondContact O-CD2 3.15Å; S147-F202 VanDerWaalsContact CA-CD2 3.4Å; P148-F202 HydrophobicContact CG-CB 4.33Å; M152-F202 HydrophobicContact CB-CZ 4.31Å; S154-F202 VanDerWaalsContact CB-CE2 3.44Å; L163-F202 HydrophobicContact CD2-CZ 4.13Å; F202-I209 HydrophobicContact CD1-CD1 3.88Å; F202-I209 HydrophobicContact CD1-CG1 3.6Å; F202-I209 HydrophobicContact CE1-CD1 3.35Å; F202-I209 HydrophobicContact CE1-CG1 3.65Å; F202-I209 HydrophobicContact CG-CG1 4.34Å; F202-I209 HydrophobicContact CZ-CD1 3.86Å; F202-I209 HydrophobicContact CZ-CG1 4.44Å
203S96.4Very high96.7Very high24 Ų2448.1 Ų48.117%0.16827%0.274CS..  trans-67.7134.4165.21760000109.4P148 T205 H206 Q208P148-S203 VanDerWaalsContact CG-O 3.24Å; P148-S203 WeakPolarHBondContact CG-O 3.41Å; S203-T205 PolarHBondContact O-N 3.04Å; S203-T205 PolarHBondContact OG-N 3.46Å; S203-H206 WeakPolarHBondContact CB-O 3.31Å; S203-H206 WeakPolarHBondContact OG-CB 3.42Å; S203-H206 PolarHBondContact OG-N 2.75Å; S203-H206 PolarHBondContact OG-ND1 3.17Å; S203-Q208 PolarHBondContact N-O 2.86Å
204P93.3Very high96.7Very high108 Ų10850.4 Ų50.470%0.70129%0.285SS*.SBendtrans-71.4-17178.429-34.8000112.9
205T93.7Very high96.7Very high114 Ų11448 Ų4870%0.69928%0.278SS*.SBendtrans-130.4-17.1-169.550.10000114.2S203S203-T205 PolarHBondContact O-N 3.04Å; S203-T205 PolarHBondContact OG-N 3.46Å
206H92.4Very high96.6Very high117 Ų11748.7 Ų48.754%0.54230%0.296SS..SBendtrans-119.4153.8-178.5-54.979.8000110S203 Q208S203-H206 WeakPolarHBondContact CB-O 3.31Å; S203-H206 WeakPolarHBondContact OG-CB 3.42Å; S203-H206 PolarHBondContact OG-N 2.75Å; S203-H206 PolarHBondContact OG-ND1 3.17Å; H206-Q208 HydrophobicContact CB-CB 4.31Å; H206-Q208 HydrophobicContact CB-CG 4.15Å; H206-Q208 PolarHBondContact O-N 2.66Å
207C91.3Very high96.6Very high104 Ų10453.8 Ų53.870%0.70332%0.315SS*.SBendtrans-74.662171.2-60.50000110.9P223C207-P223 WeakPolarHBondContact O-CD 3.48Å
208Q95.1Very high96.6Very high75 Ų7558.5 Ų58.535%0.3534%0.343SS..  trans-137.6153.5-174.3-71-177.9-14.200111.8S203 H206 Y221 Q222S203-Q208 PolarHBondContact N-O 2.86Å; H206-Q208 HydrophobicContact CB-CB 4.31Å; H206-Q208 HydrophobicContact CB-CG 4.15Å; H206-Q208 PolarHBondContact O-N 2.66Å; Q208-Y221 VanDerWaalsContact CA-O 3.29Å; Q208-Y221 WeakPolarHBondContact CA-O 3.4Å; Q208-Q222 HydrophobicContact CG-CB 4.18Å
209I97Very high96.6Very high18 Ų1857.9 Ų57.99%0.09234%0.342CS..EExtended strand (participates in β ladder)trans-131.5141.8175.7-51.3177.8000107.8I161 L163 T200 K201 F202 L220 Y221I161-I209 HydrophobicContact CD1-CG2 3.74Å; L163-I209 HydrophobicContact CD1-CD1 4.15Å; L163-I209 HydrophobicContact CD2-CD1 3.49Å; L163-I209 VanDerWaalsContact CD2-CD1 3.49Å; L163-I209 HydrophobicContact CG-CD1 4.45Å; T200-I209 WeakPolarHBondContact OG1-CG2 3.48Å; K201-I209 CarbonylContact O-C 3.46Å; K201-I209 WeakPolarHBondContact O-CA 3.45Å; F202-I209 HydrophobicContact CD1-CD1 3.88Å; F202-I209 HydrophobicContact CD1-CG1 3.6Å; F202-I209 HydrophobicContact CE1-CD1 3.35Å; F202-I209 HydrophobicContact CE1-CG1 3.65Å; F202-I209 HydrophobicContact CG-CG1 4.34Å; F202-I209 HydrophobicContact CZ-CD1 3.86Å; F202-I209 HydrophobicContact CZ-CG1 4.44Å; I209-L220 CarbonylContact O-C 3.56Å; I209-L220 WeakPolarHBondContact O-CA 3.22Å; I209-Y221 HydrophobicContact CB-CD2 3.99Å; I209-Y221 HydrophobicContact CG2-CD2 4.16Å; I209-Y221 PolarHBondContact N-O 3.12Å; I209-Y221 WeakPolarHBondContact O-CD2 3.49Å; I209-Y221 PolarHBondContact O-N 3.48Å
210A98.1Very high96.5Very high32 Ų3261.8 Ų61.826%0.26436%0.36SS..EExtended strand (participates in β ladder)trans-118.4143.8171.700000109.8T200 K201 S219 L220T200-A210 CarbonylContact C-O 3.48Å; T200-A210 WeakPolarHBondContact CA-O 3.5Å; T200-A210 PolarHBondContact OG1-O 3.11Å; K201-A210 PolarHBondContact N-O 2.63Å; K201-A210 PolarHBondContact O-N 2.94Å; A210-S219 CarbonylContact C-O 3.56Å; A210-S219 WeakPolarHBondContact CA-O 3.4Å; A210-L220 HydrophobicContact CB-CD2 3.6Å
211S98.5Very high96.4Very high3 Ų363.3 Ų63.32%0.02137%0.366CS..EExtended strand (participates in β ladder)trans-136.5147.3171.368.60000111.8H193 T199 V218 S219 Y221H193-S211 PolarHBondContact CE1-O 3.33Å; H193-S211 PolarHBondContact NE2-OG 3.33Å; T199-S211 CarbonylContact O-C 3.45Å; T199-S211 WeakPolarHBondContact O-CA 3.28Å; T199-S211 WeakPolarHBondContact O-CB 3.4Å; S211-V218 CarbonylContact O-C 3.53Å; S211-V218 VanDerWaalsContact O-CA 3.29Å; S211-V218 WeakPolarHBondContact O-CA 3.21Å; S211-S219 PolarHBondContact N-O 3.49Å; S211-S219 PolarHBondContact O-N 3.13Å; S211-Y221 VanDerWaalsContact OG-CE2 3.23Å; S211-Y221 WeakPolarHBondContact OG-CE2 3.44Å; S211-Y221 PolarHBondContact OG-OH 3.48Å
212G98.5Very high96Very high11 Ų1165 Ų6511%0.11338%0.375CS..EExtended strand (participates in β ladder)trans-125.2141.3179.500000111.8V197 L198 T199 R217V197-G212 WeakPolarHBondContact CG1-O 3.17Å; L198-G212 PolarHBondContact N-O 3.28Å; T199-G212 PolarHBondContact N-O 2.94Å; T199-G212 PolarHBondContact O-N 3.21Å; G212-R217 WeakPolarHBondContact CA-O 3.37Å
213C98.1Very high95.3Very high10 Ų1066.7 Ų66.77%0.06839%0.39CS..EExtended strand (participates in β ladder)trans-118.1172.4-178.668.70000113.6H193 D195 V196 V197 S215 G216 R217H193-C213 HydrophobicContact CB-CB 4.09Å; H193-C213 PolarHBondContact ND1-SG 3.4Å; D195-C213 HydrophobicContact CB-CB 4.34Å; V196-C213 CarbonylContact O-C 3.58Å; V196-C213 WeakPolarHBondContact O-CA 3.45Å; V196-C213 WeakPolarHBondContact O-CB 3.39Å; V197-C213 HydrophobicContact CG2-CB 4.29Å; C213-S215 VanDerWaalsContact C-N 3.26Å; C213-S215 PolarHBondContact O-N 3.2Å; C213-S215 PolarHBondContact SG-OG 2.96Å; C213-G216 PolarHBondContact O-N 3.13Å; C213-R217 PolarHBondContact N-O 2.81Å; C213-R217 VanDerWaalsContact N-O 3.13Å; C213-R217 PolarHBondContact SG-O 3.49Å
214L97.3Very high94.5Very high56 Ų5674.8 Ų74.829%0.29342%0.422SS..THydrogen-bonded Turntrans-53.9-37.3-179.1-84.1174.4000114Y140 D195 V196 L198 G216Y140-L214 HydrophobicContact CD1-CD2 3.59Å; Y140-L214 HydrophobicContact CD2-CD1 4.33Å; Y140-L214 HydrophobicContact CD2-CD2 3.83Å; Y140-L214 HydrophobicContact CE1-CD2 3.42Å; Y140-L214 VanDerWaalsContact CE1-CD2 3.42Å; Y140-L214 HydrophobicContact CE2-CD1 4.29Å; Y140-L214 HydrophobicContact CE2-CD2 3.66Å; Y140-L214 HydrophobicContact CG-CD2 3.78Å; Y140-L214 VanDerWaalsContact CZ-CD2 3.45Å; D195-L214 HydrophobicContact CB-CB 4.44Å; D195-L214 VanDerWaalsContact OD2-CB 3.26Å; D195-L214 WeakPolarHBondContact OD2-CB 3.04Å; V196-L214 HydrophobicContact CB-CD1 3.84Å; V196-L214 HydrophobicContact CB-CG 4.36Å; V196-L214 HydrophobicContact CG2-CD1 4.26Å; V196-L214 PolarHBondContact O-N 2.87Å; L198-L214 HydrophobicContact CD1-CD2 3.52Å; L198-L214 HydrophobicContact CD1-CG 3.94Å; L198-L214 HydrophobicContact CD2-CD2 4.35Å; L198-L214 HydrophobicContact CD2-CG 4.18Å; L198-L214 HydrophobicContact CG-CD2 4.16Å; L198-L214 HydrophobicContact CG-CG 4.04Å; L214-G216 PolarHBondContact O-N 3.05Å; L214-G216 VanDerWaalsContact O-N 3.12Å
215S96.8Very high92.7Very high72 Ų7281.9 Ų81.950%0.50344%0.442SS..THydrogen-bonded Turntrans-68.9-2.6175.970.60000114.8D195 C213 R217D195-S215 PolarHBondContact OD2-N 3.45Å; C213-S215 VanDerWaalsContact C-N 3.26Å; C213-S215 PolarHBondContact O-N 3.2Å; C213-S215 PolarHBondContact SG-OG 2.96Å; S215-R217 VanDerWaalsContact C-N 3.28Å; S215-R217 PolarHBondContact O-N 3.21Å
216G96Very high92.7Very high61 Ų6180.3 Ų80.363%0.62943%0.429SS*.SBendtrans81.6-1-176.400000114.5C213 L214C213-G216 PolarHBondContact O-N 3.13Å; L214-G216 PolarHBondContact O-N 3.05Å; L214-G216 VanDerWaalsContact O-N 3.12Å
217R97.9Very high92.7Very high119 Ų11978.3 Ų78.345%0.44942%0.423SS..  trans-70.2137.5175.5-175.9-178.1-66.1179.50.2111.1H193 N194 G212 C213 S215H193-R217 PolarHBondContact CE1-O 3.44Å; N194-R217 PolarHBondContact ND2-NH1 3.31Å; G212-R217 WeakPolarHBondContact CA-O 3.37Å; C213-R217 PolarHBondContact N-O 2.81Å; C213-R217 VanDerWaalsContact N-O 3.13Å; C213-R217 PolarHBondContact SG-O 3.49Å; S215-R217 VanDerWaalsContact C-N 3.28Å; S215-R217 PolarHBondContact O-N 3.21Å
218V98.1Very high92.7Very high98 Ų9876.9 Ų76.959%0.59441%0.408SS*.EExtended strand (participates in β ladder)trans-109.8134.7171.8-179.70000109.7S211 L220S211-V218 CarbonylContact O-C 3.53Å; S211-V218 VanDerWaalsContact O-CA 3.29Å; S211-V218 WeakPolarHBondContact O-CA 3.21Å; V218-L220 HydrophobicContact CG1-CD2 4.35Å
219S97.8Very high92.6Very high20 Ų2077 Ų7714%0.1441%0.411CS..EExtended strand (participates in β ladder)trans-118.2140.8173.3-66.70000110.4S192 H193 A210 S211S192-S219 WeakPolarHBondContact OG-CB 3.45Å; S192-S219 PolarHBondContact OG-OG 3.28Å; H193-S219 PolarHBondContact CE1-OG 2.83Å; H193-S219 WeakPolarHBondContact NE2-CB 3.45Å; H193-S219 PolarHBondContact NE2-OG 3.13Å; A210-S219 CarbonylContact C-O 3.56Å; A210-S219 WeakPolarHBondContact CA-O 3.4Å; S211-S219 PolarHBondContact N-O 3.49Å; S211-S219 PolarHBondContact O-N 3.13Å
220L96.8Very high92.3Very high128 Ų12880.7 Ų80.767%0.6743%0.431SS*.EExtended strand (participates in β ladder)trans-112.1136176.6-56179.8000109.6I209 A210 V218I209-L220 CarbonylContact O-C 3.56Å; I209-L220 WeakPolarHBondContact O-CA 3.22Å; A210-L220 HydrophobicContact CB-CD2 3.6Å; V218-L220 HydrophobicContact CG1-CD2 4.35Å
221Y94.8Very high91.9Very high33 Ų3383.9 Ų83.913%0.12944%0.442CS..EExtended strand (participates in β ladder)trans-119132.7178.9-45.4-89.1000109.2I161 L190 S192 Q208 I209 S211I161-Y221 HydrophobicContact CD1-CD2 3.85Å; I161-Y221 HydrophobicContact CD1-CE2 3.58Å; I161-Y221 HydrophobicContact CG1-CE2 4.18Å; L190-Y221 HydrophobicContact CB-CD1 4.19Å; L190-Y221 HydrophobicContact CB-CE1 3.9Å; L190-Y221 HydrophobicContact CD1-CD1 3.88Å; L190-Y221 HydrophobicContact CD1-CE1 4.36Å; L190-Y221 HydrophobicContact CD1-CG 4.07Å; S192-Y221 WeakPolarHBondContact OG-CE1 3.29Å; S192-Y221 PolarHBondContact OG-OH 3.4Å; Q208-Y221 VanDerWaalsContact CA-O 3.29Å; Q208-Y221 WeakPolarHBondContact CA-O 3.4Å; I209-Y221 HydrophobicContact CB-CD2 3.99Å; I209-Y221 HydrophobicContact CG2-CD2 4.16Å; I209-Y221 PolarHBondContact N-O 3.12Å; I209-Y221 WeakPolarHBondContact O-CD2 3.49Å; I209-Y221 PolarHBondContact O-N 3.48Å; S211-Y221 VanDerWaalsContact OG-CE2 3.23Å; S211-Y221 WeakPolarHBondContact OG-CE2 3.44Å; S211-Y221 PolarHBondContact OG-OH 3.48Å
222Q90.8Very high91.5Very high125 Ų12589.7 Ų89.758%0.58447%0.472SS*.  trans-133.4144.5168.475.1-177.610.600109.3Q208 K224Q208-Q222 HydrophobicContact CG-CB 4.18Å; Q222-K224 PolarHBondContact O-N 2.59Å
223P82.7Confident90.9Very high72 Ų7295.8 Ų95.847%0.46850%0.5SS..  trans-57.3136.7167.4-21.132.6000110.5C207 F225C207-P223 WeakPolarHBondContact O-CD 3.48Å; P223-F225 HydrophobicContact CB-CE2 4.14Å; P223-F225 HydrophobicContact CB-CZ 4.21Å
224K79.1Confident90.3Very high194 Ų194102.9 Ų102.984%0.84354%0.536SS*.  trans-100.3120165.5-64.7-174.3179.2-176.90106.6Q222Q222-K224 PolarHBondContact O-N 2.59Å
225F56.1Low89.7Confident257 Ų257107.2 Ų107.2100%1.12756%0.558SS**  trans-89.50173.5-63.5-80.5000110P223P223-F225 HydrophobicContact CB-CE2 4.14Å; P223-F225 HydrophobicContact CB-CZ 4.21Å

Retrieved 225 of 225 residues in 65.7 ms (Link to these results)

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