X5J4K0_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4K0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 77 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
1S97Very high96.4Very high115 Ų11574.5 Ų74.580%0.80447%0.473SS*.  0168.6049.30000108.7L59S1-L59 CarbonylContact C-O 3.51Å; S1-L59 VanDerWaalsContact CA-O 3.3Å; S1-L59 WeakPolarHBondContact CA-O 3.39Å
2C97.8Very high96.5Very high24 Ų2479.5 Ų79.516%0.16248%0.477CS..EExtended strand (participates in β ladder)trans-142.1116179.1169.80000109.9W16 T58 L59 C76C2-W16 HydrophobicContact CB-CH2 3.87Å; C2-W16 HydrophobicContact CB-CZ2 3.99Å; C2-T58 CarbonylContact O-C 3.53Å; C2-T58 WeakPolarHBondContact O-CA 3.46Å; C2-L59 HydrophobicContact CB-CB 4.39Å; C2-L59 PolarHBondContact N-O 3.34Å; C2-L59 PolarHBondContact O-N 3.27Å; C2-C76 HydrophobicContact CB-CB 3.37Å; C2-C76 WeakPolarHBondContact CB-SG 3.25Å; C2-C76 WeakPolarHBondContact SG-CB 3.25Å; C2-C76 CovalentContact SG-SG 1.99Å; C2-C76 PolarHBondContact SG-SG 2.95Å
3A97.7Very high96.6Very high79 Ų7982.2 Ų82.265%0.65347%0.474SS*.EExtended strand (participates in β ladder)trans-89126.4175.300000109.5
4A96.1Very high96.7Very high18 Ų1876.6 Ų76.615%0.14944%0.441CS..  trans-93.6147.4177.900000110.9F7 F9 N57A4-F7 HydrophobicContact CB-CE1 3.84Å; A4-F7 HydrophobicContact CB-CZ 3.69Å; A4-F9 HydrophobicContact CB-CB 4.44Å; A4-F9 HydrophobicContact CB-CD2 3.53Å; A4-F9 HydrophobicContact CB-CE2 4.17Å; A4-F9 HydrophobicContact CB-CG 4.36Å; A4-N57 PolarHBondContact N-O 2.99Å
5S96.3Very high96.8Very high105 Ų10573 Ų7373%0.73442%0.421SS*.  trans-149.1158.9173.461.70000110F7S5-F7 WeakPolarHBondContact O-CD1 3.31Å
6G95.8Very high96.9Very high89 Ų8969.3 Ų69.392%0.91840%0.398SS*.SBendtrans86.71.517800000115.9
7F94.3Very high97Very high82 Ų8267.1 Ų67.136%0.3639%0.386SS..SBendtrans-153.8165.7173.964.9-81.1000111.3A4 S5 F9 Y12 M14A4-F7 HydrophobicContact CB-CE1 3.84Å; A4-F7 HydrophobicContact CB-CZ 3.69Å; S5-F7 WeakPolarHBondContact O-CD1 3.31Å; F7-F9 HydrophobicContact CE2-CB 4.34Å; F7-F9 HydrophobicContact CE2-CD2 4.47Å; F7-F9 HydrophobicContact CZ-CD2 4.49Å; F7-F9 PolarHBondContact O-N 2.78Å; F7-Y12 AromaticContact CD2-CD2 3.73Å; F7-Y12 HydrophobicContact CD2-CD2 3.73Å; F7-Y12 HydrophobicContact CD2-CE2 4.22Å; F7-Y12 HydrophobicContact CE2-CD2 4.28Å; F7-M14 HydrophobicContact CE2-CE 4.36Å; F7-M14 HydrophobicContact CE2-SD 4.03Å; F7-M14 HydrophobicContact CZ-CE 3.93Å; F7-M14 HydrophobicContact CZ-SD 4.21Å
8D95.9Very high97Very high72 Ų7264.5 Ų64.539%0.38537%0.369SS..  trans-76.386.5174.5-176.7-4000110.5S10 R11 Y12D8-S10 PolarHBondContact O-N 3.19Å; D8-S10 WeakPolarHBondContact OD1-CB 3.33Å; D8-S10 PolarHBondContact OD1-N 3.27Å; D8-S10 PolarHBondContact OD1-OG 3.5Å; D8-R11 HydrophobicContact CB-CG 4.46Å; D8-R11 PolarHBondContact O-N 3.29Å; D8-R11 WeakPolarHBondContact OD2-CD 3.11Å; D8-R11 VanDerWaalsContact OD2-CG 3.25Å; D8-R11 WeakPolarHBondContact OD2-CG 3.47Å; D8-R11 IonicContact OD2-NE 3.37Å; D8-R11 PolarHBondContact OD2-NE 3.46Å; D8-Y12 WeakPolarHBondContact O-CD2 3.47Å
9F96.8Very high97Very high0 Ų064.8 Ų64.80%037%0.367CS..G310 helixtrans-47.4-37.7179.8177-95.3000112.9A4 F7 R11 Y12 M14 R52 N54 N57 L59A4-F9 HydrophobicContact CB-CB 4.44Å; A4-F9 HydrophobicContact CB-CD2 3.53Å; A4-F9 HydrophobicContact CB-CE2 4.17Å; A4-F9 HydrophobicContact CB-CG 4.36Å; F7-F9 HydrophobicContact CE2-CB 4.34Å; F7-F9 HydrophobicContact CE2-CD2 4.47Å; F7-F9 HydrophobicContact CZ-CD2 4.49Å; F7-F9 PolarHBondContact O-N 2.78Å; F9-R11 PolarHBondContact O-N 3.16Å; F9-R11 VanDerWaalsContact O-N 3.14Å; F9-Y12 PolarHBondContact O-N 2.77Å; F9-M14 HydrophobicContact CD2-CE 3.78Å; F9-M14 HydrophobicContact CD2-CG 4.08Å; F9-M14 HydrophobicContact CD2-SD 3.69Å; F9-M14 HydrophobicContact CE2-CE 3.62Å; F9-M14 HydrophobicContact CE2-CG 3.59Å; F9-M14 HydrophobicContact CE2-SD 3.75Å; F9-M14 HydrophobicContact CZ-CG 3.97Å; F9-R52 HydrophobicContact CE1-CB 4.18Å; F9-R52 VanDerWaalsContact CE1-NH2 3.33Å; F9-R52 HydrophobicContact CZ-CB 4.02Å; F9-R52 PolarHBondContact O-NH2 2.79Å; F9-N54 WeakPolarHBondContact CD1-OD1 3.49Å; F9-N54 VanDerWaalsContact CE1-OD1 3.28Å; F9-N54 WeakPolarHBondContact CE1-OD1 3.19Å; F9-N57 HydrophobicContact CB-CB 3.99Å; F9-N57 WeakPolarHBondContact CB-OD1 3.35Å; F9-N57 HydrophobicContact CD1-CB 4.44Å; F9-N57 HydrophobicContact CG-CB 4.16Å; F9-L59 HydrophobicContact CE2-CB 4.28Å; F9-L59 HydrophobicContact CZ-CB 4.32Å
10S96.3Very high97Very high46 Ų4662.2 Ų62.232%0.32235%0.353SS..G310 helixtrans-67.2-13.8-175.677.20000114.3D8 P33D8-S10 PolarHBondContact O-N 3.19Å; D8-S10 WeakPolarHBondContact OD1-CB 3.33Å; D8-S10 PolarHBondContact OD1-N 3.27Å; D8-S10 PolarHBondContact OD1-OG 3.5Å; S10-P33 WeakPolarHBondContact O-CB 3.29Å
11R96.9Very high97Very high189 Ų18964.4 Ų64.471%0.71337%0.371SS*.G310 helixtrans-100.8-11.5-177.7-71.9-173.3171.8-159.9-7.8114.9D8 F9D8-R11 HydrophobicContact CB-CG 4.46Å; D8-R11 PolarHBondContact O-N 3.29Å; D8-R11 WeakPolarHBondContact OD2-CD 3.11Å; D8-R11 VanDerWaalsContact OD2-CG 3.25Å; D8-R11 WeakPolarHBondContact OD2-CG 3.47Å; D8-R11 IonicContact OD2-NE 3.37Å; D8-R11 PolarHBondContact OD2-NE 3.46Å; F9-R11 PolarHBondContact O-N 3.16Å; F9-R11 VanDerWaalsContact O-N 3.14Å
12Y97.1Very high96.9Very high135 Ų13563.4 Ų63.453%0.52938%0.378SS..SBendtrans-111.4150.6-173.9-63.2-83000112.3F7 D8 F9 R52F7-Y12 AromaticContact CD2-CD2 3.73Å; F7-Y12 HydrophobicContact CD2-CD2 3.73Å; F7-Y12 HydrophobicContact CD2-CE2 4.22Å; F7-Y12 HydrophobicContact CE2-CD2 4.28Å; D8-Y12 WeakPolarHBondContact O-CD2 3.47Å; F9-Y12 PolarHBondContact O-N 2.77Å; Y12-R52 PolarHBondContact O-NH1 3.02Å
13W98.1Very high96.8Very high115 Ų11568 Ų6844%0.43640%0.395SS..  trans-66.7140.5162.5-73.864.5000108.6E30 I31 N32 T37W13-E30 HydrophobicContact CE3-CB 4.24Å; W13-E30 VanDerWaalsContact CE3-CD 3.42Å; W13-E30 HydrophobicContact CE3-CG 3.5Å; W13-E30 HydrophobicContact CZ3-CG 3.65Å; W13-I31 WeakPolarHBondContact CA-O 3.37Å; W13-N32 HydrophobicContact CD2-CB 3.74Å; W13-N32 VanDerWaalsContact CE2-CB 3.41Å; W13-N32 HydrophobicContact CE3-CB 4Å; W13-N32 HydrophobicContact CG-CB 4.44Å; W13-N32 HydrophobicContact CH2-CB 3.75Å; W13-N32 HydrophobicContact CZ2-CB 3.44Å; W13-N32 VanDerWaalsContact CZ2-CB 3.44Å; W13-N32 HydrophobicContact CZ3-CB 4.01Å; W13-T37 HydrophobicContact CH2-CG2 3.99Å
14M98.3Very high96.7Very high3 Ų366.7 Ų66.72%0.01539%0.39CS..EExtended strand (participates in β ladder)trans-119.2138.2-179-58.9-55.2-57.800108.9F7 F9 E30 I31 L59 R77F7-M14 HydrophobicContact CE2-CE 4.36Å; F7-M14 HydrophobicContact CE2-SD 4.03Å; F7-M14 HydrophobicContact CZ-CE 3.93Å; F7-M14 HydrophobicContact CZ-SD 4.21Å; F9-M14 HydrophobicContact CD2-CE 3.78Å; F9-M14 HydrophobicContact CD2-CG 4.08Å; F9-M14 HydrophobicContact CD2-SD 3.69Å; F9-M14 HydrophobicContact CE2-CE 3.62Å; F9-M14 HydrophobicContact CE2-CG 3.59Å; F9-M14 HydrophobicContact CE2-SD 3.75Å; F9-M14 HydrophobicContact CZ-CG 3.97Å; M14-E30 CarbonylContact O-C 3.48Å; M14-E30 WeakPolarHBondContact O-CA 3.49Å; M14-E30 WeakPolarHBondContact O-CB 3.35Å; M14-I31 HydrophobicContact CB-CG2 4.08Å; M14-I31 PolarHBondContact N-O 2.92Å; M14-I31 PolarHBondContact O-N 2.91Å; M14-L59 HydrophobicContact CB-CD1 3.62Å; M14-L59 HydrophobicContact CB-CD2 3.88Å; M14-L59 HydrophobicContact CB-CG 4.29Å; M14-L59 HydrophobicContact CG-CD1 4.36Å; M14-R77 CarbonylContact C-O 3.58Å; M14-R77 WeakPolarHBondContact CA-O 3.34Å; M14-R77 VanDerWaalsContact CE-O 3.23Å; M14-R77 WeakPolarHBondContact CE-O 3.44Å; M14-R77 WeakPolarHBondContact CE-OXT 3.25Å
15T98.1Very high96.7Very high23 Ų2371.5 Ų71.514%0.14141%0.412CS..EExtended strand (participates in β ladder)trans-126.2150.3-173.7-169.50000112.5W27 G29 C76 R77T15-W27 VanDerWaalsContact OG1-CD1 3.28Å; T15-W27 PolarHBondContact OG1-NE1 2.9Å; T15-G29 WeakPolarHBondContact CA-O 3.4Å; T15-G29 PolarHBondContact OG1-O 2.95Å; T15-C76 CarbonylContact O-C 3.46Å; T15-C76 VanDerWaalsContact O-CA 3.32Å; T15-C76 WeakPolarHBondContact O-CA 3.08Å; T15-R77 HydrophobicContact CG2-CB 3.75Å; T15-R77 HydrophobicContact CG2-CG 4.4Å; T15-R77 PolarHBondContact N-O 3.38Å; T15-R77 PolarHBondContact O-N 3.17Å
16W98.5Very high96.7Very high13 Ų1369.1 Ų69.15%0.04939%0.389CS..EExtended strand (participates in β ladder)trans-111134.6166-78.6101.2000110.1C2 I28 G29 I50 L59 Y60 L61 Y75 C76C2-W16 HydrophobicContact CB-CH2 3.87Å; C2-W16 HydrophobicContact CB-CZ2 3.99Å; W16-I28 HydrophobicContact CB-CB 4.05Å; W16-I28 HydrophobicContact CB-CD1 4.15Å; W16-I28 WeakPolarHBondContact O-CB 3.5Å; W16-I28 PolarHBondContact O-N 1.99Å; W16-G29 PolarHBondContact N-O 2.89Å; W16-G29 PolarHBondContact O-N 2.8Å; W16-I50 HydrophobicContact CB-CD1 4.47Å; W16-L59 HydrophobicContact CD2-CD2 4.31Å; W16-L59 HydrophobicContact CG-CD2 4.27Å; W16-L59 HydrophobicContact CZ2-CD2 4.19Å; W16-L59 HydrophobicContact CZ2-CG 4.31Å; W16-L59 VanDerWaalsContact NE1-CG 3.32Å; W16-Y60 PolarHBondContact NE1-O 2.61Å; W16-L61 HydrophobicContact CB-CD1 4.42Å; W16-L61 HydrophobicContact CB-CD2 4.42Å; W16-L61 HydrophobicContact CD2-CB 3.94Å; W16-L61 HydrophobicContact CD2-CD1 4.49Å; W16-L61 HydrophobicContact CD2-CD2 3.86Å; W16-L61 HydrophobicContact CD2-CG 4.34Å; W16-L61 HydrophobicContact CE3-CD2 3.96Å; W16-L61 HydrophobicContact CG-CB 4.3Å; W16-L61 HydrophobicContact CG-CD1 4.04Å; W16-L61 HydrophobicContact CG-CD2 4.07Å; W16-L61 HydrophobicContact CG-CG 4.39Å; W16-L61 HydrophobicContact CH2-CB 4.47Å; W16-L61 HydrophobicContact CZ2-CB 3.88Å; W16-Y75 WeakPolarHBondContact CA-O 3.46Å; W16-Y75 VanDerWaalsContact CE3-C 3.45Å; W16-C76 HydrophobicContact CD2-CB 4.31Å; W16-C76 HydrophobicContact CE3-CB 4.15Å; W16-C76 HydrophobicContact CH2-CB 3.84Å; W16-C76 HydrophobicContact CZ2-CB 4.01Å; W16-C76 HydrophobicContact CZ3-CB 3.91Å
17V98.1Very high96.8Very high32 Ų3269.1 Ų69.119%0.19436%0.362CS..EExtended strand (participates in β ladder)trans-129152.2171.2-57.90000108.9L25 E26 Y75V17-L25 HydrophobicContact CG2-CD2 4.22Å; V17-E26 CarbonylContact C-O 3.4Å; V17-E26 WeakPolarHBondContact CA-O 3.1Å; V17-Y75 HydrophobicContact CG2-CD2 4.1Å; V17-Y75 HydrophobicContact CG2-CG 4.37Å; V17-Y75 PolarHBondContact N-O 2.72Å; V17-Y75 PolarHBondContact O-N 3.03Å
18R96.8Very high96.9Very high21 Ų2165.2 Ų65.28%0.07935%0.345CS..EExtended strand (participates in β ladder)trans-127.7158173.368.9179.2-168.7178.64.9111.9E26 I28 D70 A72 L73 Y74R18-E26 HydrophobicContact CG-CB 3.97Å; R18-E26 IonicContact CZ-OE2 3.86Å; R18-E26 PolarHBondContact N-O 3.49Å; R18-E26 IonicContact NE-OE2 2.91Å; R18-E26 PolarHBondContact NE-OE2 2.75Å; R18-E26 IonicContact NH2-OE2 2.8Å; R18-E26 PolarHBondContact NH2-OE2 2.63Å; R18-E26 PolarHBondContact O-N 2.8Å; R18-I28 HydrophobicContact CB-CD1 3.92Å; R18-I28 HydrophobicContact CB-CG1 4.38Å; R18-I28 HydrophobicContact CG-CD1 4.13Å; R18-I28 HydrophobicContact CG-CG1 4.11Å; R18-D70 IonicContact CZ-OD1 3.06Å; R18-D70 IonicContact NH1-OD1 2.75Å; R18-D70 PolarHBondContact NH1-OD1 3.36Å; R18-A72 HydrophobicContact CB-CB 3.92Å; R18-A72 HydrophobicContact CG-CB 4.32Å; R18-L73 CarbonylContact C-O 3.6Å; R18-L73 WeakPolarHBondContact CA-O 3.42Å; R18-L73 WeakPolarHBondContact CB-O 3.31Å; R18-Y74 HydrophobicContact CB-CD1 3.88Å; R18-Y74 HydrophobicContact CB-CE1 3.89Å; R18-Y74 HydrophobicContact CB-CG 4.31Å
19Q97.7Very high97Very high70 Ų7061.8 Ų61.833%0.32733%0.326SS..EExtended strand (participates in β ladder)trans-135.3107.8175.5-168.7177.620.800109.8K23 L25 A72 L73 Y75Q19-K23 WeakPolarHBondContact CG-O 3.46Å; Q19-K23 PolarHBondContact NE2-O 2.9Å; Q19-L25 HydrophobicContact CB-CD2 4.08Å; Q19-A72 CarbonylContact O-C 3.56Å; Q19-A72 WeakPolarHBondContact O-CA 3.42Å; Q19-A72 WeakPolarHBondContact O-CB 3.5Å; Q19-L73 PolarHBondContact N-O 3.1Å; Q19-L73 PolarHBondContact O-N 2.95Å; Q19-Y75 HydrophobicContact CB-CE2 3.97Å; Q19-Y75 PolarHBondContact OE1-OH 2.6Å
20A96.4Very high97.1Very high12 Ų1264.4 Ų64.410%0.09934%0.338CS..  trans-74.8153.7172.500000110.5G22 K23 A72A20-G22 PolarHBondContact O-N 3Å; A20-K23 HydrophobicContact CB-CB 4.18Å; A20-K23 HydrophobicContact CB-CD 4.04Å; A20-K23 HydrophobicContact CB-CG 4.17Å; A20-K23 PolarHBondContact O-N 2.95Å; A20-A72 HydrophobicContact CB-CB 4.35Å
21P96.4Very high97.2Very high110 Ų11062.3 Ų62.371%0.71432%0.324SS*.THydrogen-bonded Turntrans-53.5128.2176-25.934.8000112K23 T71P21-K23 PolarHBondContact O-N 2.8Å; P21-T71 WeakPolarHBondContact CD-O 3.35Å
22G95.6Very high97.3Very high93 Ų9354 Ų5496%0.95929%0.293SS*.THydrogen-bonded Turntrans72.65.1-179.100000115.5A20A20-G22 PolarHBondContact O-N 3Å
23K94.9Very high97.4Very high121 Ų12149.1 Ų49.153%0.52628%0.278SS..  trans-111.2161.6175.7-61.9-163.7-176.4176.80112.4Q19 A20 P21 E26Q19-K23 WeakPolarHBondContact CG-O 3.46Å; Q19-K23 PolarHBondContact NE2-O 2.9Å; A20-K23 HydrophobicContact CB-CB 4.18Å; A20-K23 HydrophobicContact CB-CD 4.04Å; A20-K23 HydrophobicContact CB-CG 4.17Å; A20-K23 PolarHBondContact O-N 2.95Å; P21-K23 PolarHBondContact O-N 2.8Å; K23-E26 WeakPolarHBondContact CD-OE1 2.87Å; K23-E26 IonicContact NZ-OE1 3.89Å
24G95.6Very high97.3Very high52 Ų5248.9 Ų48.954%0.53629%0.286SS..  trans-71.4-178.9169.100000112.6E26G24-E26 PolarHBondContact O-N 3.06Å
25L96.4Very high97.3Very high118 Ų11851.2 Ų51.262%0.61830%0.302SS*.EExtended strand (participates in β ladder)trans-69.1127172.8-69.6167.6000110.2V17 Q19 Y75V17-L25 HydrophobicContact CG2-CD2 4.22Å; Q19-L25 HydrophobicContact CB-CD2 4.08Å; L25-Y75 HydrophobicContact CD2-CD2 4.27Å; L25-Y75 HydrophobicContact CD2-CE2 4.22Å
26E96.3Very high97.3Very high55 Ų5554.2 Ų54.226%0.25732%0.324SS..EExtended strand (participates in β ladder)trans-107.2123173.1-65.2179.3-175.800108.5V17 R18 K23 G24V17-E26 CarbonylContact C-O 3.4Å; V17-E26 WeakPolarHBondContact CA-O 3.1Å; R18-E26 HydrophobicContact CG-CB 3.97Å; R18-E26 IonicContact CZ-OE2 3.86Å; R18-E26 PolarHBondContact N-O 3.49Å; R18-E26 IonicContact NE-OE2 2.91Å; R18-E26 PolarHBondContact NE-OE2 2.75Å; R18-E26 IonicContact NH2-OE2 2.8Å; R18-E26 PolarHBondContact NH2-OE2 2.63Å; R18-E26 PolarHBondContact O-N 2.8Å; K23-E26 WeakPolarHBondContact CD-OE1 2.87Å; K23-E26 IonicContact NZ-OE1 3.89Å; G24-E26 PolarHBondContact O-N 3.06Å
27W97.7Very high97.3Very high90 Ų9056.2 Ų56.234%0.34134%0.338SS..EExtended strand (participates in β ladder)trans-73.7133.2174.8-178.680.4000110.4T15 G29 E30 N39 Y40 T41T15-W27 VanDerWaalsContact OG1-CD1 3.28Å; T15-W27 PolarHBondContact OG1-NE1 2.9Å; W27-G29 VanDerWaalsContact CZ2-C 3.42Å; W27-G29 PolarHBondContact NE1-O 2.95Å; W27-E30 HydrophobicContact CZ2-CB 4.02Å; W27-E30 HydrophobicContact CZ2-CG 3.76Å; W27-N39 HydrophobicContact CH2-CB 3.71Å; W27-N39 HydrophobicContact CZ2-CB 4.26Å; W27-Y40 VanDerWaalsContact CZ3-C 3.42Å; W27-T41 VanDerWaalsContact CE3-OG1 3.25Å; W27-T41 WeakPolarHBondContact O-CB 3.01Å; W27-T41 PolarHBondContact O-OG1 2.78Å
28I97.6Very high97.3Very high0 Ų057.7 Ų57.70%034%0.344CS..EExtended strand (participates in β ladder)trans-93.6-48.9177.1-64.3170.9000110W16 R18 Y40 T41 L44 F48 L61 Y74W16-I28 HydrophobicContact CB-CB 4.05Å; W16-I28 HydrophobicContact CB-CD1 4.15Å; W16-I28 WeakPolarHBondContact O-CB 3.5Å; W16-I28 PolarHBondContact O-N 1.99Å; R18-I28 HydrophobicContact CB-CD1 3.92Å; R18-I28 HydrophobicContact CB-CG1 4.38Å; R18-I28 HydrophobicContact CG-CD1 4.13Å; R18-I28 HydrophobicContact CG-CG1 4.11Å; I28-Y40 WeakPolarHBondContact O-CA 3.45Å; I28-T41 PolarHBondContact O-N 2.84Å; I28-L44 HydrophobicContact CB-CD1 4.5Å; I28-L44 HydrophobicContact CG1-CD1 4.1Å; I28-F48 HydrophobicContact CG2-CB 4.11Å; I28-F48 HydrophobicContact CG2-CD2 3.76Å; I28-F48 HydrophobicContact CG2-CG 4.21Å; I28-L61 HydrophobicContact CD1-CD2 4Å; I28-L61 HydrophobicContact CG2-CD1 4.35Å; I28-Y74 HydrophobicContact CD1-CD1 3.61Å; I28-Y74 HydrophobicContact CD1-CE1 3.63Å
29G98.2Very high97.3Very high0 Ų059.9 Ų59.90%036%0.357CS..EExtended strand (participates in β ladder)trans170.7177.1-172.500000112.6T15 W16 W27 N39 I50T15-G29 WeakPolarHBondContact CA-O 3.4Å; T15-G29 PolarHBondContact OG1-O 2.95Å; W16-G29 PolarHBondContact N-O 2.89Å; W16-G29 PolarHBondContact O-N 2.8Å; W27-G29 VanDerWaalsContact CZ2-C 3.42Å; W27-G29 PolarHBondContact NE1-O 2.95Å; G29-N39 CarbonylContact C-O 3.51Å; G29-N39 WeakPolarHBondContact CA-O 3.32Å; G29-I50 VanDerWaalsContact C-CD1 3.42Å
30E98.4Very high97.3Very high54 Ų5458.6 Ų58.625%0.25235%0.35SS..EExtended strand (participates in β ladder)trans-147.8156.1175.971.1-172.8162.200111W13 M14 W27 I38 N39W13-E30 HydrophobicContact CE3-CB 4.24Å; W13-E30 VanDerWaalsContact CE3-CD 3.42Å; W13-E30 HydrophobicContact CE3-CG 3.5Å; W13-E30 HydrophobicContact CZ3-CG 3.65Å; M14-E30 CarbonylContact O-C 3.48Å; M14-E30 WeakPolarHBondContact O-CA 3.49Å; M14-E30 WeakPolarHBondContact O-CB 3.35Å; W27-E30 HydrophobicContact CZ2-CB 4.02Å; W27-E30 HydrophobicContact CZ2-CG 3.76Å; E30-I38 WeakPolarHBondContact O-CA 3.41Å; E30-I38 VanDerWaalsContact O-CG2 3.27Å; E30-I38 WeakPolarHBondContact O-CG2 3.47Å; E30-N39 HydrophobicContact CG-CB 4.13Å; E30-N39 PolarHBondContact N-O 3.18Å; E30-N39 PolarHBondContact O-N 2.83Å; E30-N39 PolarHBondContact OE1-ND2 3.45Å; E30-N39 VanDerWaalsContact OE1-ND2 3.1Å
31I98.7Very high97.3Very high2 Ų259.7 Ų59.71%0.0136%0.356CS..EExtended strand (participates in β ladder)trans-129.2133.6179.8-175.9161.2000109.8W13 M14 I38 I50 R52 L59W13-I31 WeakPolarHBondContact CA-O 3.37Å; M14-I31 HydrophobicContact CB-CG2 4.08Å; M14-I31 PolarHBondContact N-O 2.92Å; M14-I31 PolarHBondContact O-N 2.91Å; I31-I38 HydrophobicContact CB-CG1 4.43Å; I31-I38 HydrophobicContact CB-CG2 4.42Å; I31-I38 HydrophobicContact CD1-CD1 3.89Å; I31-I38 HydrophobicContact CD1-CG1 3.96Å; I31-I38 HydrophobicContact CG1-CD1 4.47Å; I31-I38 HydrophobicContact CG1-CG1 3.98Å; I31-I50 HydrophobicContact CB-CG2 3.87Å; I31-I50 HydrophobicContact CD1-CG2 4.47Å; I31-I50 HydrophobicContact CG2-CG2 3.61Å; I31-R52 HydrophobicContact CD1-CG 3.94Å; I31-R52 HydrophobicContact CG1-CG 4.38Å; I31-L59 HydrophobicContact CG2-CD1 3.61Å
32N98.3Very high97.3Very high14 Ų1459.9 Ų59.98%0.07536%0.357CS..  trans-76166.5179.178.7-29.2000111.8W13 D34 S35 S36 T37 R52W13-N32 HydrophobicContact CD2-CB 3.74Å; W13-N32 VanDerWaalsContact CE2-CB 3.41Å; W13-N32 HydrophobicContact CE3-CB 4Å; W13-N32 HydrophobicContact CG-CB 4.44Å; W13-N32 HydrophobicContact CH2-CB 3.75Å; W13-N32 HydrophobicContact CZ2-CB 3.44Å; W13-N32 VanDerWaalsContact CZ2-CB 3.44Å; W13-N32 HydrophobicContact CZ3-CB 4.01Å; N32-D34 VanDerWaalsContact CG-OD1 3.23Å; N32-D34 PolarHBondContact ND2-OD1 3.1Å; N32-D34 PolarHBondContact O-N 2.92Å; N32-D34 PolarHBondContact OD1-OD1 3.24Å; N32-S35 PolarHBondContact O-N 2.89Å; N32-S35 VanDerWaalsContact O-N 3.16Å; N32-S35 VanDerWaalsContact OD1-CA 3.27Å; N32-S35 WeakPolarHBondContact OD1-CA 3.41Å; N32-S35 PolarHBondContact OD1-N 3.08Å; N32-S35 VanDerWaalsContact OD1-N 3.08Å; N32-S36 PolarHBondContact ND2-OG 3.23Å; N32-S36 PolarHBondContact OD1-N 2.9Å; N32-T37 PolarHBondContact N-O 3.45Å; N32-T37 VanDerWaalsContact N-O 3.11Å; N32-T37 PolarHBondContact OD1-N 3.24Å; N32-T37 PolarHBondContact OD1-O 3.14Å; N32-T37 VanDerWaalsContact OD1-O 3.08Å; N32-R52 WeakPolarHBondContact O-CD 3.33Å; N32-R52 PolarHBondContact O-NH1 3.02Å; N32-R52 VanDerWaalsContact O-NH1 3.09Å
33P98.2Very high97.1Very high33 Ų3359.9 Ų59.921%0.21434%0.342CS..THydrogen-bonded Turntrans-45.7-46.4-179.3-40.243.7000117.2S10 R52 N54S10-P33 WeakPolarHBondContact O-CB 3.29Å; P33-R52 VanDerWaalsContact CA-NH1 3.27Å; P33-R52 PolarHBondContact O-NE 3.12Å; P33-N54 PolarHBondContact O-ND2 2.85Å
34D97.1Very high97Very high110 Ų11054.5 Ų54.559%0.58832%0.319SS*.THydrogen-bonded Turntrans-95.23.9-17566.87.6000113.2N32 S36N32-D34 VanDerWaalsContact CG-OD1 3.23Å; N32-D34 PolarHBondContact ND2-OD1 3.1Å; N32-D34 PolarHBondContact O-N 2.92Å; N32-D34 PolarHBondContact OD1-OD1 3.24Å; D34-S36 VanDerWaalsContact CG-OG 3.32Å; D34-S36 PolarHBondContact O-N 3.21Å; D34-S36 VanDerWaalsContact OD1-CB 3.25Å; D34-S36 WeakPolarHBondContact OD1-CB 2.99Å; D34-S36 PolarHBondContact OD1-N 2.84Å; D34-S36 PolarHBondContact OD1-OG 2.82Å; D34-S36 PolarHBondContact OD2-OG 2.79Å
35S97.6Very high96.9Very high52 Ų5258 Ų5836%0.36432%0.319SS..SBendtrans61.911.6-178.1-46.80000115.3N32 T37 R52N32-S35 PolarHBondContact O-N 2.89Å; N32-S35 VanDerWaalsContact O-N 3.16Å; N32-S35 VanDerWaalsContact OD1-CA 3.27Å; N32-S35 WeakPolarHBondContact OD1-CA 3.41Å; N32-S35 PolarHBondContact OD1-N 3.08Å; N32-S35 VanDerWaalsContact OD1-N 3.08Å; S35-T37 VanDerWaalsContact C-N 3.29Å; S35-R52 WeakPolarHBondContact OG-CD 3.41Å; S35-R52 WeakPolarHBondContact OG-CG 3.19Å
36S97.9Very high96.7Very high86 Ų8658 Ų5860%0.60132%0.32SS*.SBendtrans-72.8-23.9177.263.50000113N32 D34N32-S36 PolarHBondContact ND2-OG 3.23Å; N32-S36 PolarHBondContact OD1-N 2.9Å; D34-S36 VanDerWaalsContact CG-OG 3.32Å; D34-S36 PolarHBondContact O-N 3.21Å; D34-S36 VanDerWaalsContact OD1-CB 3.25Å; D34-S36 WeakPolarHBondContact OD1-CB 2.99Å; D34-S36 PolarHBondContact OD1-N 2.84Å; D34-S36 PolarHBondContact OD1-OG 2.82Å; D34-S36 PolarHBondContact OD2-OG 2.79Å
37T98.4Very high96.6Very high56 Ų5657.4 Ų57.434%0.34432%0.316SS..  trans-126.5129.9180-55.90000110.7W13 N32 S35W13-T37 HydrophobicContact CH2-CG2 3.99Å; N32-T37 PolarHBondContact N-O 3.45Å; N32-T37 VanDerWaalsContact N-O 3.11Å; N32-T37 PolarHBondContact OD1-N 3.24Å; N32-T37 PolarHBondContact OD1-O 3.14Å; N32-T37 VanDerWaalsContact OD1-O 3.08Å; S35-T37 VanDerWaalsContact C-N 3.29Å
38I98.3Very high96.6Very high62 Ų6253.1 Ų53.132%0.31830%0.3SS..EExtended strand (participates in β ladder)trans-133.2120.1172.8-43.8177.8000108.6E30 I31 Y40 I50E30-I38 WeakPolarHBondContact O-CA 3.41Å; E30-I38 VanDerWaalsContact O-CG2 3.27Å; E30-I38 WeakPolarHBondContact O-CG2 3.47Å; I31-I38 HydrophobicContact CB-CG1 4.43Å; I31-I38 HydrophobicContact CB-CG2 4.42Å; I31-I38 HydrophobicContact CD1-CD1 3.89Å; I31-I38 HydrophobicContact CD1-CG1 3.96Å; I31-I38 HydrophobicContact CG1-CD1 4.47Å; I31-I38 HydrophobicContact CG1-CG1 3.98Å; I38-Y40 HydrophobicContact CB-CE2 3.82Å; I38-Y40 HydrophobicContact CG2-CD2 3.99Å; I38-Y40 HydrophobicContact CG2-CE1 4.36Å; I38-Y40 HydrophobicContact CG2-CE2 3.25Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.47Å; I38-I50 HydrophobicContact CG2-CB 4.2Å
39N98.1Very high96.5Very high68 Ų6856.8 Ų56.836%0.36432%0.319SS..EExtended strand (participates in β ladder)trans-99.8145.8174.7-59-40.7000109.4W27 G29 E30W27-N39 HydrophobicContact CH2-CB 3.71Å; W27-N39 HydrophobicContact CZ2-CB 4.26Å; G29-N39 CarbonylContact C-O 3.51Å; G29-N39 WeakPolarHBondContact CA-O 3.32Å; E30-N39 HydrophobicContact CG-CB 4.13Å; E30-N39 PolarHBondContact N-O 3.18Å; E30-N39 PolarHBondContact O-N 2.83Å; E30-N39 PolarHBondContact OE1-ND2 3.45Å; E30-N39 VanDerWaalsContact OE1-ND2 3.1Å
40Y97.9Very high96.5Very high42 Ų4256.9 Ų56.917%0.16532%0.32CS..EExtended strand (participates in β ladder)trans-136152.6-179.7-70.3-88.3000110.8W27 I28 I38 P42 K45 F48 I50W27-Y40 VanDerWaalsContact CZ3-C 3.42Å; I28-Y40 WeakPolarHBondContact O-CA 3.45Å; I38-Y40 HydrophobicContact CB-CE2 3.82Å; I38-Y40 HydrophobicContact CG2-CD2 3.99Å; I38-Y40 HydrophobicContact CG2-CE1 4.36Å; I38-Y40 HydrophobicContact CG2-CE2 3.25Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.47Å; Y40-P42 WeakPolarHBondContact O-CD 3.3Å; Y40-K45 HydrophobicContact CD2-CD 4.35Å; Y40-K45 HydrophobicContact CD2-CG 3.94Å; Y40-K45 HydrophobicContact CE2-CG 4.48Å; Y40-K45 HydrophobicContact CG-CB 4.07Å; Y40-K45 HydrophobicContact CG-CG 3.99Å; Y40-F48 VanDerWaalsContact CE1-O 3.27Å; Y40-F48 WeakPolarHBondContact CE1-O 3.23Å; Y40-I50 HydrophobicContact CD1-CD1 4.41Å; Y40-I50 HydrophobicContact CE1-CB 4.45Å; Y40-I50 HydrophobicContact CE1-CD1 3.95Å; Y40-I50 HydrophobicContact CE1-CG1 3.87Å; Y40-I50 PolarHBondContact OH-N 2.98Å
41T96.7Very high96.5Very high36 Ų3656.6 Ų56.622%0.22132%0.324CS..  trans-63.4123.7156.3-690000108.3W27 I28 S43 L44 K45W27-T41 VanDerWaalsContact CE3-OG1 3.25Å; W27-T41 WeakPolarHBondContact O-CB 3.01Å; W27-T41 PolarHBondContact O-OG1 2.78Å; I28-T41 PolarHBondContact O-N 2.84Å; T41-S43 VanDerWaalsContact C-N 3.28Å; T41-S43 WeakPolarHBondContact CG2-OG 3.33Å; T41-S43 PolarHBondContact O-N 3.1Å; T41-S43 VanDerWaalsContact O-N 3.14Å; T41-L44 HydrophobicContact CG2-CD1 4.23Å; T41-L44 HydrophobicContact CG2-CG 4.07Å; T41-L44 PolarHBondContact O-N 2.88Å; T41-K45 PolarHBondContact O-N 2.88Å
42P95.1Very high96.5Very high114 Ų11457.7 Ų57.774%0.7433%0.328SS*.THydrogen-bonded Turntrans-53.5-40-171.4-30.936000114.6Y40 L44Y40-P42 WeakPolarHBondContact O-CD 3.3Å; P42-L44 PolarHBondContact O-N 3.01Å
43S92.3Very high96.5Very high93 Ų9359 Ų5965%0.6534%0.335SS*.THydrogen-bonded Turntrans-69.9-13.4179.556.40000114.5T41T41-S43 VanDerWaalsContact C-N 3.28Å; T41-S43 WeakPolarHBondContact CG2-OG 3.33Å; T41-S43 PolarHBondContact O-N 3.1Å; T41-S43 VanDerWaalsContact O-N 3.14Å
44L93.1Very high96.4Very high7 Ų760.2 Ų60.24%0.03734%0.34CS..THydrogen-bonded Turntrans-110.6-14.6-173.4-61.1-172.7000113.2I28 T41 P42 D46 K47 F48I28-L44 HydrophobicContact CB-CD1 4.5Å; I28-L44 HydrophobicContact CG1-CD1 4.1Å; T41-L44 HydrophobicContact CG2-CD1 4.23Å; T41-L44 HydrophobicContact CG2-CG 4.07Å; T41-L44 PolarHBondContact O-N 2.88Å; P42-L44 PolarHBondContact O-N 3.01Å; L44-D46 VanDerWaalsContact C-N 3.27Å; L44-D46 PolarHBondContact O-N 3.13Å; L44-K47 PolarHBondContact O-N 2.93Å; L44-K47 VanDerWaalsContact O-N 3.08Å; L44-F48 HydrophobicContact CB-CD2 3.95Å; L44-F48 HydrophobicContact CB-CE2 4.29Å; L44-F48 HydrophobicContact CD1-CE2 4.4Å; L44-F48 HydrophobicContact CD2-CE2 4.11Å; L44-F48 HydrophobicContact CG-CE2 4.5Å; L44-F48 PolarHBondContact O-N 2.96Å; L44-F48 VanDerWaalsContact O-N 3.13Å
45K92.1Very high96.4Very high126 Ų12659.7 Ų59.755%0.54835%0.35SS..THydrogen-bonded Turntrans-57.2-34.5-176.7-176.1179.1176-177.50113.8Y40 T41 K47Y40-K45 HydrophobicContact CD2-CD 4.35Å; Y40-K45 HydrophobicContact CD2-CG 3.94Å; Y40-K45 HydrophobicContact CE2-CG 4.48Å; Y40-K45 HydrophobicContact CG-CB 4.07Å; Y40-K45 HydrophobicContact CG-CG 3.99Å; T41-K45 PolarHBondContact O-N 2.88Å; K45-K47 VanDerWaalsContact C-N 3.31Å
46D92.5Very high96.4Very high119 Ų11963.4 Ų63.464%0.63636%0.36SS*.THydrogen-bonded Turntrans-83.2-9.9-177.9-66.3-28.2000113.6L44L44-D46 VanDerWaalsContact C-N 3.27Å; L44-D46 PolarHBondContact O-N 3.13Å
47K95.3Very high96.4Very high41 Ų4162.4 Ų62.418%0.17835%0.348CS..THydrogen-bonded Turntrans-103.6-33.1-177.7-61.6-172.5175.3-170.70112.7L44 K45 S64 K65 D70L44-K47 PolarHBondContact O-N 2.93Å; L44-K47 VanDerWaalsContact O-N 3.08Å; K45-K47 VanDerWaalsContact C-N 3.31Å; K47-S64 PolarHBondContact O-N 3.16Å; K47-S64 VanDerWaalsContact O-N 3.1Å; K47-K65 HydrophobicContact CG-CB 4.28Å; K47-D70 WeakPolarHBondContact CD-OD2 3.43Å; K47-D70 VanDerWaalsContact NZ-CG 3.28Å; K47-D70 IonicContact NZ-OD1 2.73Å; K47-D70 PolarHBondContact NZ-OD1 3.11Å; K47-D70 IonicContact NZ-OD2 3.22Å; K47-D70 PolarHBondContact NZ-OD2 2.73Å
48F95.9Very high96.4Very high0 Ų060.5 Ų60.50%034%0.336CS..EExtended strand (participates in β ladder)trans-122.3136.3-172.4-57.8-54.5000111.9I28 Y40 L44 L61 Q62 M63 V66 D70 Y74I28-F48 HydrophobicContact CG2-CB 4.11Å; I28-F48 HydrophobicContact CG2-CD2 3.76Å; I28-F48 HydrophobicContact CG2-CG 4.21Å; Y40-F48 VanDerWaalsContact CE1-O 3.27Å; Y40-F48 WeakPolarHBondContact CE1-O 3.23Å; L44-F48 HydrophobicContact CB-CD2 3.95Å; L44-F48 HydrophobicContact CB-CE2 4.29Å; L44-F48 HydrophobicContact CD1-CE2 4.4Å; L44-F48 HydrophobicContact CD2-CE2 4.11Å; L44-F48 HydrophobicContact CG-CE2 4.5Å; L44-F48 PolarHBondContact O-N 2.96Å; L44-F48 VanDerWaalsContact O-N 3.13Å; F48-L61 HydrophobicContact CB-CD1 3.84Å; F48-L61 HydrophobicContact CD1-CG 4.44Å; F48-L61 HydrophobicContact CG-CD1 4.32Å; F48-Q62 WeakPolarHBondContact CA-O 3.47Å; F48-M63 HydrophobicContact CD1-CB 4.1Å; F48-M63 HydrophobicContact CD1-CG 3.71Å; F48-M63 HydrophobicContact CD1-SD 4.47Å; F48-M63 HydrophobicContact CE1-CB 4.12Å; F48-M63 HydrophobicContact CE1-CE 4.21Å; F48-M63 HydrophobicContact CE1-CG 3.74Å; F48-M63 HydrophobicContact CE1-SD 3.95Å; F48-V66 HydrophobicContact CE1-CG1 3.83Å; F48-V66 HydrophobicContact CZ-CG1 4.39Å; F48-D70 HydrophobicContact CZ-CB 4.36Å; F48-Y74 HydrophobicContact CE1-CE1 4.23Å; F48-Y74 AromaticContact CZ-CE1 4Å; F48-Y74 HydrophobicContact CZ-CE1 4Å; F48-Y74 WeakPolarHBondContact CZ-OH 3.33Å
49I96.8Very high96.5Very high77 Ų7757.5 Ų57.540%0.39532%0.321SS..EExtended strand (participates in β ladder)trans-119.6119174-57.7171.3000107.5Q62I49-Q62 HydrophobicContact CB-CB 4.24Å; I49-Q62 PolarHBondContact N-O 3.27Å; I49-Q62 PolarHBondContact O-N 3.08Å
50I98.1Very high96.5Very high2 Ų257.9 Ų57.91%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-90.5133.9174.7-58.7173.4000108.6W16 G29 I31 I38 Y40 L59 L61W16-I50 HydrophobicContact CB-CD1 4.47Å; G29-I50 VanDerWaalsContact C-CD1 3.42Å; I31-I50 HydrophobicContact CB-CG2 3.87Å; I31-I50 HydrophobicContact CD1-CG2 4.47Å; I31-I50 HydrophobicContact CG2-CG2 3.61Å; I38-I50 HydrophobicContact CG2-CB 4.2Å; Y40-I50 HydrophobicContact CD1-CD1 4.41Å; Y40-I50 HydrophobicContact CE1-CB 4.45Å; Y40-I50 HydrophobicContact CE1-CD1 3.95Å; Y40-I50 HydrophobicContact CE1-CG1 3.87Å; Y40-I50 PolarHBondContact OH-N 2.98Å; I50-L59 HydrophobicContact CG2-CD1 4.06Å; I50-L61 HydrophobicContact CG1-CD1 3.78Å
51S98.3Very high96.5Very high49 Ų4957 Ų5734%0.34332%0.316SS..EExtended strand (participates in β ladder)trans-146.1164.117162.60000110.5Y60S51-Y60 PolarHBondContact N-O 2.95Å; S51-Y60 PolarHBondContact O-N 3.08Å; S51-Y60 WeakPolarHBondContact OG-CB 3.27Å
52R98.3Very high96.5Very high24 Ų2460.8 Ų60.89%0.09133%0.331CS..EExtended strand (participates in β ladder)trans-140152-176.762.8-175.2-67.5159.13.3111.6F9 Y12 I31 N32 P33 S35 N54 T58 L59F9-R52 HydrophobicContact CE1-CB 4.18Å; F9-R52 VanDerWaalsContact CE1-NH2 3.33Å; F9-R52 HydrophobicContact CZ-CB 4.02Å; F9-R52 PolarHBondContact O-NH2 2.79Å; Y12-R52 PolarHBondContact O-NH1 3.02Å; I31-R52 HydrophobicContact CD1-CG 3.94Å; I31-R52 HydrophobicContact CG1-CG 4.38Å; N32-R52 WeakPolarHBondContact O-CD 3.33Å; N32-R52 PolarHBondContact O-NH1 3.02Å; N32-R52 VanDerWaalsContact O-NH1 3.09Å; P33-R52 VanDerWaalsContact CA-NH1 3.27Å; P33-R52 PolarHBondContact O-NE 3.12Å; S35-R52 WeakPolarHBondContact OG-CD 3.41Å; S35-R52 WeakPolarHBondContact OG-CG 3.19Å; R52-N54 VanDerWaalsContact CZ-OD1 3.24Å; R52-N54 PolarHBondContact NE-OD1 2.81Å; R52-N54 PolarHBondContact NH2-OD1 2.78Å; R52-T58 WeakPolarHBondContact CA-O 3.33Å; R52-L59 HydrophobicContact CB-CD1 4.07Å
53D98.1Very high96.5Very high41 Ų4159.2 Ų59.222%0.21932%0.315CS..EExtended strand (participates in β ladder)trans-125.2106.6171.2-176-24.1000108.5A55 K56 N57 T58 Y60D53-A55 VanDerWaalsContact C-N 3.34Å; D53-A55 WeakPolarHBondContact OD1-CB 3.16Å; D53-A55 PolarHBondContact OD1-N 3.38Å; D53-K56 HydrophobicContact CB-CB 4.2Å; D53-K56 PolarHBondContact O-N 3.14Å; D53-K56 PolarHBondContact OD1-N 3.04Å; D53-K56 VanDerWaalsContact OD1-N 3.11Å; D53-K56 VanDerWaalsContact OD2-CD 3.31Å; D53-K56 WeakPolarHBondContact OD2-CD 3.27Å; D53-K56 WeakPolarHBondContact OD2-CE 3.39Å; D53-K56 WeakPolarHBondContact OD2-CG 3.35Å; D53-K56 IonicContact OD2-NZ 2.92Å; D53-K56 PolarHBondContact OD2-NZ 2.86Å; D53-N57 PolarHBondContact O-N 3.09Å; D53-T58 PolarHBondContact N-O 3.02Å; D53-T58 PolarHBondContact O-N 3.14Å; D53-Y60 HydrophobicContact CB-CE2 3.88Å
54N97.6Very high96.3Very high60 Ų6058.2 Ų58.232%0.32131%0.308SS..THydrogen-bonded Turntrans-71.2-28.2-178.2-70.8-16.8000112.5F9 P33 R52 K56 N57F9-N54 WeakPolarHBondContact CD1-OD1 3.49Å; F9-N54 VanDerWaalsContact CE1-OD1 3.28Å; F9-N54 WeakPolarHBondContact CE1-OD1 3.19Å; P33-N54 PolarHBondContact O-ND2 2.85Å; R52-N54 VanDerWaalsContact CZ-OD1 3.24Å; R52-N54 PolarHBondContact NE-OD1 2.81Å; R52-N54 PolarHBondContact NH2-OD1 2.78Å; N54-K56 VanDerWaalsContact C-N 3.27Å; N54-K56 PolarHBondContact O-N 3.06Å; N54-N57 PolarHBondContact O-N 2.82Å; N54-N57 PolarHBondContact O-OD1 3.47Å
55A97Very high96.1Very high98 Ų9864.6 Ų64.681%0.8134%0.335SS*.THydrogen-bonded Turntrans-71.4-28.1176.700000111.6D53D53-A55 VanDerWaalsContact C-N 3.34Å; D53-A55 WeakPolarHBondContact OD1-CB 3.16Å; D53-A55 PolarHBondContact OD1-N 3.38Å
56K97.7Very high96Very high131 Ų13162.4 Ų62.457%0.5733%0.332SS*.THydrogen-bonded Turntrans-1001.4177.9-60.5-170.6-170.8107.90114.3D53 N54 T58D53-K56 HydrophobicContact CB-CB 4.2Å; D53-K56 PolarHBondContact O-N 3.14Å; D53-K56 PolarHBondContact OD1-N 3.04Å; D53-K56 VanDerWaalsContact OD1-N 3.11Å; D53-K56 VanDerWaalsContact OD2-CD 3.31Å; D53-K56 WeakPolarHBondContact OD2-CD 3.27Å; D53-K56 WeakPolarHBondContact OD2-CE 3.39Å; D53-K56 WeakPolarHBondContact OD2-CG 3.35Å; D53-K56 IonicContact OD2-NZ 2.92Å; D53-K56 PolarHBondContact OD2-NZ 2.86Å; N54-K56 VanDerWaalsContact C-N 3.27Å; N54-K56 PolarHBondContact O-N 3.06Å; K56-T58 PolarHBondContact O-N 2.71Å; K56-T58 VanDerWaalsContact O-N 3.12Å; K56-T58 PolarHBondContact O-OG1 2.83Å
57N97.7Very high96Very high64 Ų6459.3 Ų59.334%0.34232%0.32SS..THydrogen-bonded Turntrans46.140.9-170.6-61.9-34.3000112.6A4 F9 D53 N54A4-N57 PolarHBondContact N-O 2.99Å; F9-N57 HydrophobicContact CB-CB 3.99Å; F9-N57 WeakPolarHBondContact CB-OD1 3.35Å; F9-N57 HydrophobicContact CD1-CB 4.44Å; F9-N57 HydrophobicContact CG-CB 4.16Å; D53-N57 PolarHBondContact O-N 3.09Å; N54-N57 PolarHBondContact O-N 2.82Å; N54-N57 PolarHBondContact O-OD1 3.47Å
58T98.4Very high95.9Very high16 Ų1662.3 Ų62.310%0.09835%0.346CS..EExtended strand (participates in β ladder)trans-123.2130.7-170.2-600000111.6C2 R52 D53 K56 Y60C2-T58 CarbonylContact O-C 3.53Å; C2-T58 WeakPolarHBondContact O-CA 3.46Å; R52-T58 WeakPolarHBondContact CA-O 3.33Å; D53-T58 PolarHBondContact N-O 3.02Å; D53-T58 PolarHBondContact O-N 3.14Å; K56-T58 PolarHBondContact O-N 2.71Å; K56-T58 VanDerWaalsContact O-N 3.12Å; K56-T58 PolarHBondContact O-OG1 2.83Å; T58-Y60 HydrophobicContact CG2-CD1 4.38Å; T58-Y60 HydrophobicContact CG2-CD2 4.28Å; T58-Y60 HydrophobicContact CG2-CE1 3.77Å; T58-Y60 HydrophobicContact CG2-CE2 3.67Å
59L98.6Very high95.7Very high0 Ų069.6 Ų69.60%038%0.38CS..EExtended strand (participates in β ladder)trans-98.7140.8171.6-169.270.1000110.5S1 C2 F9 M14 W16 I31 I50 R52 C76S1-L59 CarbonylContact C-O 3.51Å; S1-L59 VanDerWaalsContact CA-O 3.3Å; S1-L59 WeakPolarHBondContact CA-O 3.39Å; C2-L59 HydrophobicContact CB-CB 4.39Å; C2-L59 PolarHBondContact N-O 3.34Å; C2-L59 PolarHBondContact O-N 3.27Å; F9-L59 HydrophobicContact CE2-CB 4.28Å; F9-L59 HydrophobicContact CZ-CB 4.32Å; M14-L59 HydrophobicContact CB-CD1 3.62Å; M14-L59 HydrophobicContact CB-CD2 3.88Å; M14-L59 HydrophobicContact CB-CG 4.29Å; M14-L59 HydrophobicContact CG-CD1 4.36Å; W16-L59 HydrophobicContact CD2-CD2 4.31Å; W16-L59 HydrophobicContact CG-CD2 4.27Å; W16-L59 HydrophobicContact CZ2-CD2 4.19Å; W16-L59 HydrophobicContact CZ2-CG 4.31Å; W16-L59 VanDerWaalsContact NE1-CG 3.32Å; I31-L59 HydrophobicContact CG2-CD1 3.61Å; I50-L59 HydrophobicContact CG2-CD1 4.06Å; R52-L59 HydrophobicContact CB-CD1 4.07Å; L59-C76 HydrophobicContact CD2-CB 3.99Å
60Y98.4Very high95.5Very high76 Ų7666.3 Ų66.330%0.29836%0.363SS..EExtended strand (participates in β ladder)trans-122.2147.1-179.5-59.7-86.8000110.7W16 S51 D53 T58W16-Y60 PolarHBondContact NE1-O 2.61Å; S51-Y60 PolarHBondContact N-O 2.95Å; S51-Y60 PolarHBondContact O-N 3.08Å; S51-Y60 WeakPolarHBondContact OG-CB 3.27Å; D53-Y60 HydrophobicContact CB-CE2 3.88Å; T58-Y60 HydrophobicContact CG2-CD1 4.38Å; T58-Y60 HydrophobicContact CG2-CD2 4.28Å; T58-Y60 HydrophobicContact CG2-CE1 3.77Å; T58-Y60 HydrophobicContact CG2-CE2 3.67Å
61L98.1Very high95.4Very high23 Ų2370.8 Ų70.812%0.1239%0.39CS..EExtended strand (participates in β ladder)trans-131.2101.9170.8-171.965.1000106.6W16 I28 F48 I50 M63 Y74W16-L61 HydrophobicContact CB-CD1 4.42Å; W16-L61 HydrophobicContact CB-CD2 4.42Å; W16-L61 HydrophobicContact CD2-CB 3.94Å; W16-L61 HydrophobicContact CD2-CD1 4.49Å; W16-L61 HydrophobicContact CD2-CD2 3.86Å; W16-L61 HydrophobicContact CD2-CG 4.34Å; W16-L61 HydrophobicContact CE3-CD2 3.96Å; W16-L61 HydrophobicContact CG-CB 4.3Å; W16-L61 HydrophobicContact CG-CD1 4.04Å; W16-L61 HydrophobicContact CG-CD2 4.07Å; W16-L61 HydrophobicContact CG-CG 4.39Å; W16-L61 HydrophobicContact CH2-CB 4.47Å; W16-L61 HydrophobicContact CZ2-CB 3.88Å; I28-L61 HydrophobicContact CD1-CD2 4Å; I28-L61 HydrophobicContact CG2-CD1 4.35Å; F48-L61 HydrophobicContact CB-CD1 3.84Å; F48-L61 HydrophobicContact CD1-CG 4.44Å; F48-L61 HydrophobicContact CG-CD1 4.32Å; I50-L61 HydrophobicContact CG1-CD1 3.78Å; L61-M63 HydrophobicContact CD2-CE 3.5Å; L61-M63 HydrophobicContact CG-CE 4.06Å; L61-M63 HydrophobicContact CG-CG 4.49Å; L61-Y74 HydrophobicContact CD2-CD1 3.68Å; L61-Y74 HydrophobicContact CD2-CE1 4.13Å
62Q97.5Very high95.3Very high115 Ų11569.5 Ų69.554%0.53738%0.383SS..EExtended strand (participates in β ladder)trans-85.2134.1173.4176.1178.4-13.800108.9F48 I49F48-Q62 WeakPolarHBondContact CA-O 3.47Å; I49-Q62 HydrophobicContact CB-CB 4.24Å; I49-Q62 PolarHBondContact N-O 3.27Å; I49-Q62 PolarHBondContact O-N 3.08Å
63M95.3Very high95.3Very high82 Ų8273.4 Ų73.440%0.40441%0.405SS..EExtended strand (participates in β ladder)trans-120.7118.3-176-50.2-173.317200108.7F48 L61 V66 Y74F48-M63 HydrophobicContact CD1-CB 4.1Å; F48-M63 HydrophobicContact CD1-CG 3.71Å; F48-M63 HydrophobicContact CD1-SD 4.47Å; F48-M63 HydrophobicContact CE1-CB 4.12Å; F48-M63 HydrophobicContact CE1-CE 4.21Å; F48-M63 HydrophobicContact CE1-CG 3.74Å; F48-M63 HydrophobicContact CE1-SD 3.95Å; L61-M63 HydrophobicContact CD2-CE 3.5Å; L61-M63 HydrophobicContact CG-CE 4.06Å; L61-M63 HydrophobicContact CG-CG 4.49Å; M63-V66 HydrophobicContact CB-CG1 3.71Å; M63-V66 HydrophobicContact CG-CG1 4.42Å; M63-V66 HydrophobicContact SD-CG1 4.2Å; M63-Y74 HydrophobicContact CE-CD1 3.67Å; M63-Y74 HydrophobicContact CE-CD2 4.22Å; M63-Y74 HydrophobicContact CE-CE1 3.6Å; M63-Y74 HydrophobicContact CE-CE2 4.19Å; M63-Y74 HydrophobicContact CE-CG 3.99Å
64S88.3Confident95.3Very high72 Ų7274.2 Ų74.250%0.50341%0.406SS..SBendtrans-122.1-18.1-170.8530000114.8K47K47-S64 PolarHBondContact O-N 3.16Å; K47-S64 VanDerWaalsContact O-N 3.1Å
65K87.4Confident95.3Very high140 Ų14075.9 Ų75.961%0.60941%0.408SS*.SBendtrans-136.646.5180-61.3-178.7-174168.60112K47K47-K65 HydrophobicContact CG-CB 4.28Å
66V90.8Very high95.3Very high81 Ų8173.4 Ų73.449%0.49138%0.384SS..  trans-76.3139-179.1-730000111.7F48 M63 D70F48-V66 HydrophobicContact CE1-CG1 3.83Å; F48-V66 HydrophobicContact CZ-CG1 4.39Å; M63-V66 HydrophobicContact CB-CG1 3.71Å; M63-V66 HydrophobicContact CG-CG1 4.42Å; M63-V66 HydrophobicContact SD-CG1 4.2Å; V66-D70 WeakPolarHBondContact CA-OD2 3.28Å; V66-D70 HydrophobicContact CB-CB 4.41Å; V66-D70 HydrophobicContact CG1-CB 4.32Å
67S92.8Very high94.9Very high54 Ų5477.4 Ų77.438%0.37840%0.396SS..  trans-119.7178.2171.869.30000110.9E69 D70S67-E69 PolarHBondContact O-N 3.05Å; S67-D70 PolarHBondContact N-OD2 3.11Å; S67-D70 WeakPolarHBondContact O-CB 3.47Å; S67-D70 PolarHBondContact O-N 3.48Å; S67-D70 PolarHBondContact OG-OD2 3.27Å
68S93.1Very high94.8Very high103 Ų10378.1 Ų78.172%0.7240%0.398SS*.G310 helixtrans-56.6-30.5175.750.80000113.1D70 T71S68-D70 PolarHBondContact O-N 3.04Å; S68-T71 VanDerWaalsContact O-CB 3.31Å; S68-T71 WeakPolarHBondContact O-CB 3.48Å; S68-T71 PolarHBondContact O-N 3.49Å; S68-T71 VanDerWaalsContact O-N 3.16Å; S68-T71 PolarHBondContact O-OG1 2.62Å
69E90.9Very high94.6Very high154 Ų15481.4 Ų81.472%0.7241%0.414SS*.G310 helixtrans-65.9-20.5176.8-61176.9171.400113.4S67 T71S67-E69 PolarHBondContact O-N 3.05Å; E69-T71 VanDerWaalsContact C-N 3.27Å
70D93.7Very high94.4Very high8 Ų885.9 Ų85.94%0.04344%0.437CS..G310 helixtrans-88.25.5177.9-58.2-55.5000112.3R18 K47 F48 V66 S67 S68 A72 Y74R18-D70 IonicContact CZ-OD1 3.06Å; R18-D70 IonicContact NH1-OD1 2.75Å; R18-D70 PolarHBondContact NH1-OD1 3.36Å; K47-D70 WeakPolarHBondContact CD-OD2 3.43Å; K47-D70 VanDerWaalsContact NZ-CG 3.28Å; K47-D70 IonicContact NZ-OD1 2.73Å; K47-D70 PolarHBondContact NZ-OD1 3.11Å; K47-D70 IonicContact NZ-OD2 3.22Å; K47-D70 PolarHBondContact NZ-OD2 2.73Å; F48-D70 HydrophobicContact CZ-CB 4.36Å; V66-D70 WeakPolarHBondContact CA-OD2 3.28Å; V66-D70 HydrophobicContact CB-CB 4.41Å; V66-D70 HydrophobicContact CG1-CB 4.32Å; S67-D70 PolarHBondContact N-OD2 3.11Å; S67-D70 WeakPolarHBondContact O-CB 3.47Å; S67-D70 PolarHBondContact O-N 3.48Å; S67-D70 PolarHBondContact OG-OD2 3.27Å; S68-D70 PolarHBondContact O-N 3.04Å; D70-A72 PolarHBondContact O-N 3.19Å; D70-A72 VanDerWaalsContact O-N 3.1Å; D70-Y74 PolarHBondContact O-OH 3.22Å
71T95.6Very high94.1Very high95 Ų9586.5 Ų86.558%0.58345%0.445SS*.  trans-66.2109.9175.2-55.20000110.2P21 S68 E69P21-T71 WeakPolarHBondContact CD-O 3.35Å; S68-T71 VanDerWaalsContact O-CB 3.31Å; S68-T71 WeakPolarHBondContact O-CB 3.48Å; S68-T71 PolarHBondContact O-N 3.49Å; S68-T71 VanDerWaalsContact O-N 3.16Å; S68-T71 PolarHBondContact O-OG1 2.62Å; E69-T71 VanDerWaalsContact C-N 3.27Å
72A96.7Very high93.9Very high23 Ų2390.4 Ų90.419%0.1947%0.466CS..SBendtrans-158.4165.3-175.700000110.8R18 Q19 A20 D70 Y74R18-A72 HydrophobicContact CB-CB 3.92Å; R18-A72 HydrophobicContact CG-CB 4.32Å; Q19-A72 CarbonylContact O-C 3.56Å; Q19-A72 WeakPolarHBondContact O-CA 3.42Å; Q19-A72 WeakPolarHBondContact O-CB 3.5Å; A20-A72 HydrophobicContact CB-CB 4.35Å; D70-A72 PolarHBondContact O-N 3.19Å; D70-A72 VanDerWaalsContact O-N 3.1Å; A72-Y74 HydrophobicContact CB-CD2 4.45Å; A72-Y74 HydrophobicContact CB-CE2 3.92Å; A72-Y74 WeakPolarHBondContact O-CD2 3.21Å; A72-Y74 VanDerWaalsContact O-CE2 3.29Å; A72-Y74 WeakPolarHBondContact O-CE2 3.27Å
73L97.6Very high93.6Very high106 Ų10688.8 Ų88.856%0.55546%0.461SS*.EExtended strand (participates in β ladder)trans-79.2137.3160.1-65.3174.7000108.8R18 Q19 Y75R18-L73 CarbonylContact C-O 3.6Å; R18-L73 WeakPolarHBondContact CA-O 3.42Å; R18-L73 WeakPolarHBondContact CB-O 3.31Å; Q19-L73 PolarHBondContact N-O 3.1Å; Q19-L73 PolarHBondContact O-N 2.95Å; L73-Y75 HydrophobicContact CB-CE2 3.75Å; L73-Y75 VanDerWaalsContact CD1-OH 3.25Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.44Å
74Y97.8Very high93.5Very high58 Ų5889.3 Ų89.323%0.22747%0.465CS..EExtended strand (participates in β ladder)trans-116.5128.9-177.6-70.8-100000109.7R18 I28 F48 L61 M63 D70 A72R18-Y74 HydrophobicContact CB-CD1 3.88Å; R18-Y74 HydrophobicContact CB-CE1 3.89Å; R18-Y74 HydrophobicContact CB-CG 4.31Å; I28-Y74 HydrophobicContact CD1-CD1 3.61Å; I28-Y74 HydrophobicContact CD1-CE1 3.63Å; F48-Y74 HydrophobicContact CE1-CE1 4.23Å; F48-Y74 AromaticContact CZ-CE1 4Å; F48-Y74 HydrophobicContact CZ-CE1 4Å; F48-Y74 WeakPolarHBondContact CZ-OH 3.33Å; L61-Y74 HydrophobicContact CD2-CD1 3.68Å; L61-Y74 HydrophobicContact CD2-CE1 4.13Å; M63-Y74 HydrophobicContact CE-CD1 3.67Å; M63-Y74 HydrophobicContact CE-CD2 4.22Å; M63-Y74 HydrophobicContact CE-CE1 3.6Å; M63-Y74 HydrophobicContact CE-CE2 4.19Å; M63-Y74 HydrophobicContact CE-CG 3.99Å; D70-Y74 PolarHBondContact O-OH 3.22Å; A72-Y74 HydrophobicContact CB-CD2 4.45Å; A72-Y74 HydrophobicContact CB-CE2 3.92Å; A72-Y74 WeakPolarHBondContact O-CD2 3.21Å; A72-Y74 VanDerWaalsContact O-CE2 3.29Å; A72-Y74 WeakPolarHBondContact O-CE2 3.27Å
75Y97.9Very high93.9Very high95 Ų9590.6 Ų90.637%0.37346%0.462SS..EExtended strand (participates in β ladder)trans-125.3139.2-177.2-47.8-89.6000110.3W16 V17 Q19 L25 L73W16-Y75 WeakPolarHBondContact CA-O 3.46Å; W16-Y75 VanDerWaalsContact CE3-C 3.45Å; V17-Y75 HydrophobicContact CG2-CD2 4.1Å; V17-Y75 HydrophobicContact CG2-CG 4.37Å; V17-Y75 PolarHBondContact N-O 2.72Å; V17-Y75 PolarHBondContact O-N 3.03Å; Q19-Y75 HydrophobicContact CB-CE2 3.97Å; Q19-Y75 PolarHBondContact OE1-OH 2.6Å; L25-Y75 HydrophobicContact CD2-CD2 4.27Å; L25-Y75 HydrophobicContact CD2-CE2 4.22Å; L73-Y75 HydrophobicContact CB-CE2 3.75Å; L73-Y75 VanDerWaalsContact CD1-OH 3.25Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.44Å
76C96.4Very high94.5Very high45 Ų4586.5 Ų86.530%0.30445%0.45SS..EExtended strand (participates in β ladder)trans-102.8147.8170.351.40000109.4C2 T15 W16 L59C2-C76 HydrophobicContact CB-CB 3.37Å; C2-C76 WeakPolarHBondContact CB-SG 3.25Å; C2-C76 WeakPolarHBondContact SG-CB 3.25Å; C2-C76 CovalentContact SG-SG 1.99Å; C2-C76 PolarHBondContact SG-SG 2.95Å; T15-C76 CarbonylContact O-C 3.46Å; T15-C76 VanDerWaalsContact O-CA 3.32Å; T15-C76 WeakPolarHBondContact O-CA 3.08Å; W16-C76 HydrophobicContact CD2-CB 4.31Å; W16-C76 HydrophobicContact CE3-CB 4.15Å; W16-C76 HydrophobicContact CH2-CB 3.84Å; W16-C76 HydrophobicContact CZ2-CB 4.01Å; W16-C76 HydrophobicContact CZ3-CB 3.91Å; L59-C76 HydrophobicContact CD2-CB 3.99Å
77R90.5Very high94.8Very high216 Ų21687 Ų8782%0.81545%0.446SS*.  trans-140.80170171.7-178.9179.8-173.61.1110.5M14 T15M14-R77 CarbonylContact C-O 3.58Å; M14-R77 WeakPolarHBondContact CA-O 3.34Å; M14-R77 VanDerWaalsContact CE-O 3.23Å; M14-R77 WeakPolarHBondContact CE-O 3.44Å; M14-R77 WeakPolarHBondContact CE-OXT 3.25Å; T15-R77 HydrophobicContact CG2-CB 3.75Å; T15-R77 HydrophobicContact CG2-CG 4.4Å; T15-R77 PolarHBondContact N-O 3.38Å; T15-R77 PolarHBondContact O-N 3.17Å

Retrieved 77 of 77 residues in 18.5 ms (Link to these results)

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