X5J5B5_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5B5, Species MOUSE (Mus musculus, Mouse), Gene Ighv4-2, Length 97 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
1S97.3Very high94.4Very high109 Ų10967.6 Ų67.676%0.76244%0.435SS*.  0168.9049.40000108.9L59S1-L59 CarbonylContact C-O 3.44Å; S1-L59 WeakPolarHBondContact CA-O 3.47Å
2C97.8Very high94.3Very high21 Ų2165.9 Ų65.914%0.14241%0.414CS..EExtended strand (participates in β ladder)trans-142.7113.5175.8165.20000109W16 T58 L59 C76C2-W16 HydrophobicContact CB-CH2 3.77Å; C2-W16 HydrophobicContact CB-CZ2 3.99Å; C2-T58 CarbonylContact O-C 3.5Å; C2-T58 WeakPolarHBondContact O-CA 3.36Å; C2-L59 HydrophobicContact CB-CB 4.47Å; C2-L59 PolarHBondContact N-O 2.65Å; C2-L59 PolarHBondContact O-N 2.87Å; C2-C76 HydrophobicContact CB-CB 3.4Å; C2-C76 WeakPolarHBondContact CB-SG 3.09Å; C2-C76 WeakPolarHBondContact SG-CB 3.38Å; C2-C76 CovalentContact SG-SG 2.01Å; C2-C76 PolarHBondContact SG-SG 3.13Å
3A97.6Very high94.5Very high79 Ų7967.2 Ų67.265%0.65341%0.406SS*.EExtended strand (participates in β ladder)trans-85.6128.9174.100000109.4
4A95.4Very high94.7Very high17 Ų1762.6 Ų62.614%0.1438%0.378CS..  trans-95.2146.7178.700000111.2F7 F9 N57A4-F7 HydrophobicContact CB-CE1 3.89Å; A4-F7 HydrophobicContact CB-CE2 4.44Å; A4-F7 HydrophobicContact CB-CZ 3.64Å; A4-F9 HydrophobicContact CB-CB 4.22Å; A4-F9 HydrophobicContact CB-CD2 3.47Å; A4-F9 VanDerWaalsContact CB-CD2 3.47Å; A4-F9 HydrophobicContact CB-CE2 4.18Å; A4-F9 HydrophobicContact CB-CG 4.19Å; A4-N57 PolarHBondContact N-O 3.24Å
5S93.9Very high94.8Very high106 Ų10658.5 Ų58.574%0.74135%0.353SS*.  trans-148.3158.4173.761.10000109.7F7S5-F7 WeakPolarHBondContact O-CD1 3.3Å
6G91.1Very high95.1Very high79 Ų7955.7 Ų55.781%0.81433%0.334SS*.SBendtrans84.9-0.717800000115.9
7F90.3Very high95.2Very high39 Ų3952.6 Ų52.617%0.17132%0.316CS..SBendtrans-152.2163.7174.264.7-83.2000111.3A4 S5 F9 Y12 M14 Y86A4-F7 HydrophobicContact CB-CE1 3.89Å; A4-F7 HydrophobicContact CB-CE2 4.44Å; A4-F7 HydrophobicContact CB-CZ 3.64Å; S5-F7 WeakPolarHBondContact O-CD1 3.3Å; F7-F9 HydrophobicContact CE2-CB 4.35Å; F7-F9 HydrophobicContact CE2-CD2 4.43Å; F7-F9 PolarHBondContact O-N 2.97Å; F7-Y12 AromaticContact CD2-CD2 3.66Å; F7-Y12 HydrophobicContact CD2-CD2 3.66Å; F7-Y12 HydrophobicContact CD2-CE2 4.11Å; F7-Y12 HydrophobicContact CD2-CG 4.49Å; F7-Y12 HydrophobicContact CE2-CD2 4.17Å; F7-M14 HydrophobicContact CE2-SD 4.07Å; F7-M14 HydrophobicContact CZ-CE 4.23Å; F7-M14 HydrophobicContact CZ-SD 4.2Å; F7-Y86 HydrophobicContact CB-CD2 4.47Å; F7-Y86 HydrophobicContact CB-CE2 3.97Å; F7-Y86 AromaticContact CD1-CD2 3.64Å; F7-Y86 HydrophobicContact CD1-CD2 3.64Å; F7-Y86 AromaticContact CD1-CE2 3.95Å; F7-Y86 HydrophobicContact CD1-CE2 3.95Å; F7-Y86 HydrophobicContact CD1-CG 4.14Å; F7-Y86 AromaticContact CE1-CD2 3.93Å; F7-Y86 HydrophobicContact CE1-CD2 3.93Å; F7-Y86 HydrophobicContact CE1-CG 4.19Å; F7-Y86 AromaticContact CG-CD2 3.99Å; F7-Y86 HydrophobicContact CG-CD2 3.99Å; F7-Y86 HydrophobicContact CG-CE2 4Å; F7-Y86 HydrophobicContact CZ-CD2 4.48Å
8D92.4Very high95.4Very high65 Ų6550.9 Ų50.935%0.34830%0.303SS..  trans-75.984.9175.9-174.9-6.1000110.6S10 R11 Y12D8-S10 PolarHBondContact O-N 3.31Å; D8-S10 WeakPolarHBondContact OD1-CB 3.29Å; D8-S10 PolarHBondContact OD1-N 3.41Å; D8-S10 PolarHBondContact OD1-OG 3.19Å; D8-R11 HydrophobicContact CB-CG 4.35Å; D8-R11 PolarHBondContact O-N 3.17Å; D8-R11 WeakPolarHBondContact OD2-CD 3.49Å; D8-R11 VanDerWaalsContact OD2-CG 3.31Å; D8-R11 WeakPolarHBondContact OD2-CG 3.44Å; D8-R11 IonicContact OD2-CZ 3.82Å; D8-R11 IonicContact OD2-NE 3.2Å; D8-R11 PolarHBondContact OD2-NE 3.26Å; D8-R11 IonicContact OD2-NH2 3.95Å; D8-Y12 WeakPolarHBondContact O-CD2 3.35Å; D8-Y12 WeakPolarHBondContact O-CE2 3.43Å
9F94.7Very high95.5Very high0 Ų051.7 Ų51.70%030%0.304CS..G310 helixtrans-46.8-36.7180176.7-96.9000113.1A4 F7 R11 Y12 M14 R52 N54 N57 L59A4-F9 HydrophobicContact CB-CB 4.22Å; A4-F9 HydrophobicContact CB-CD2 3.47Å; A4-F9 VanDerWaalsContact CB-CD2 3.47Å; A4-F9 HydrophobicContact CB-CE2 4.18Å; A4-F9 HydrophobicContact CB-CG 4.19Å; F7-F9 HydrophobicContact CE2-CB 4.35Å; F7-F9 HydrophobicContact CE2-CD2 4.43Å; F7-F9 PolarHBondContact O-N 2.97Å; F9-R11 PolarHBondContact O-N 2.94Å; F9-Y12 PolarHBondContact O-N 2.95Å; F9-M14 HydrophobicContact CD2-CE 4.17Å; F9-M14 HydrophobicContact CD2-CG 4.03Å; F9-M14 HydrophobicContact CD2-SD 3.88Å; F9-M14 HydrophobicContact CE2-CE 3.91Å; F9-M14 HydrophobicContact CE2-CG 3.54Å; F9-M14 HydrophobicContact CE2-SD 3.88Å; F9-M14 HydrophobicContact CZ-CG 4.06Å; F9-R52 VanDerWaalsContact CD1-NH2 3.32Å; F9-R52 HydrophobicContact CE1-CB 4.24Å; F9-R52 VanDerWaalsContact CE1-NH2 3.25Å; F9-R52 HydrophobicContact CZ-CB 4.12Å; F9-R52 PolarHBondContact O-NH2 3.14Å; F9-N54 WeakPolarHBondContact CE1-OD1 3.45Å; F9-N57 HydrophobicContact CB-CB 3.95Å; F9-N57 HydrophobicContact CD1-CB 4.33Å; F9-N57 HydrophobicContact CG-CB 4.14Å; F9-L59 HydrophobicContact CE2-CB 4.22Å; F9-L59 HydrophobicContact CZ-CB 4.21Å
10S94.5Very high95.5Very high46 Ų4650.4 Ų50.432%0.32230%0.298SS..G310 helixtrans-66.2-19.7-17676.60000114D8 P33D8-S10 PolarHBondContact O-N 3.31Å; D8-S10 WeakPolarHBondContact OD1-CB 3.29Å; D8-S10 PolarHBondContact OD1-N 3.41Å; D8-S10 PolarHBondContact OD1-OG 3.19Å; S10-P33 VanDerWaalsContact O-CB 3.28Å; S10-P33 WeakPolarHBondContact O-CB 3.37Å
11R93.1Very high95.5Very high183 Ų18352.9 Ų52.969%0.69132%0.316SS*.G310 helixtrans-92.4-15-178.6-68-176.4-170.9-160.8-5.4114.5D8 F9 P33D8-R11 HydrophobicContact CB-CG 4.35Å; D8-R11 PolarHBondContact O-N 3.17Å; D8-R11 WeakPolarHBondContact OD2-CD 3.49Å; D8-R11 VanDerWaalsContact OD2-CG 3.31Å; D8-R11 WeakPolarHBondContact OD2-CG 3.44Å; D8-R11 IonicContact OD2-CZ 3.82Å; D8-R11 IonicContact OD2-NE 3.2Å; D8-R11 PolarHBondContact OD2-NE 3.26Å; D8-R11 IonicContact OD2-NH2 3.95Å; F9-R11 PolarHBondContact O-N 2.94Å; R11-P33 WeakPolarHBondContact O-CG 3.33Å
12Y93.7Very high95.5Very high47 Ų4751.9 Ų51.918%0.18432%0.323CS..SBendtrans-106.6147.5-172.9-60.7-80.4000112F7 D8 F9 R52 N79 W80F7-Y12 AromaticContact CD2-CD2 3.66Å; F7-Y12 HydrophobicContact CD2-CD2 3.66Å; F7-Y12 HydrophobicContact CD2-CE2 4.11Å; F7-Y12 HydrophobicContact CD2-CG 4.49Å; F7-Y12 HydrophobicContact CE2-CD2 4.17Å; D8-Y12 WeakPolarHBondContact O-CD2 3.35Å; D8-Y12 WeakPolarHBondContact O-CE2 3.43Å; F9-Y12 PolarHBondContact O-N 2.95Å; Y12-R52 PolarHBondContact O-NH1 3.13Å; Y12-N79 WeakPolarHBondContact CD1-O 3.21Å; Y12-W80 AromaticContact CD1-CD1 3.83Å; Y12-W80 HydrophobicContact CD1-CD2 4.09Å; Y12-W80 AromaticContact CD1-CE2 3.83Å; Y12-W80 HydrophobicContact CD1-CG 4.19Å; Y12-W80 HydrophobicContact CD1-CZ2 4.39Å; Y12-W80 AromaticContact CD1-NE1 3.62Å; Y12-W80 AromaticContact CE1-CD1 3.94Å; Y12-W80 AromaticContact CE1-CD2 3.46Å; Y12-W80 HydrophobicContact CE1-CD2 3.46Å; Y12-W80 VanDerWaalsContact CE1-CD2 3.46Å; Y12-W80 AromaticContact CE1-CE2 3.14Å; Y12-W80 AromaticContact CE1-CE3 3.86Å; Y12-W80 HydrophobicContact CE1-CE3 3.86Å; Y12-W80 HydrophobicContact CE1-CG 4.05Å; Y12-W80 AromaticContact CE1-CH2 3.81Å; Y12-W80 HydrophobicContact CE1-CH2 3.81Å; Y12-W80 AromaticContact CE1-CZ2 3.38Å; Y12-W80 HydrophobicContact CE1-CZ2 3.38Å; Y12-W80 HydrophobicContact CE1-CZ3 4.01Å; Y12-W80 AromaticContact CE1-NE1 3.44Å; Y12-W80 HydrophobicContact CE2-CZ2 4.11Å; Y12-W80 AromaticContact CZ-CE2 3.5Å; Y12-W80 AromaticContact CZ-CH2 3.63Å; Y12-W80 AromaticContact CZ-CZ2 3.2Å; Y12-W80 AromaticContact CZ-NE1 3.92Å; Y12-W80 WeakPolarHBondContact OH-CH2 2.93Å; Y12-W80 WeakPolarHBondContact OH-CZ2 2.9Å
13W96Very high95.3Very high82 Ų8257.9 Ų57.931%0.31135%0.347SS..EExtended strand (participates in β ladder)trans-66.4146.6159.8-73.865000108.9E30 I31 N32 P33 T37 N79W13-E30 HydrophobicContact CE3-CB 4.27Å; W13-E30 HydrophobicContact CE3-CG 3.5Å; W13-E30 HydrophobicContact CZ3-CG 3.63Å; W13-E30 WeakPolarHBondContact CZ3-OE1 3.38Å; W13-I31 WeakPolarHBondContact CA-O 3.39Å; W13-N32 HydrophobicContact CD2-CB 3.6Å; W13-N32 HydrophobicContact CE3-CB 3.92Å; W13-N32 HydrophobicContact CG-CB 4.26Å; W13-N32 HydrophobicContact CH2-CB 3.74Å; W13-N32 HydrophobicContact CZ2-CB 3.38Å; W13-N32 HydrophobicContact CZ3-CB 3.99Å; W13-P33 VanDerWaalsContact CD1-CD 3.47Å; W13-T37 HydrophobicContact CH2-CG2 3.93Å; W13-T37 HydrophobicContact CZ3-CG2 4.46Å; W13-N79 HydrophobicContact CB-CB 3.91Å; W13-N79 PolarHBondContact O-N 3.22Å
14M97.3Very high95.3Very high4 Ų456.7 Ų56.72%0.0234%0.342CS..EExtended strand (participates in β ladder)trans-130.6134.3-176.7-63.8-60.7-54.100109.6F7 F9 E30 I31 L59 A77F7-M14 HydrophobicContact CE2-SD 4.07Å; F7-M14 HydrophobicContact CZ-CE 4.23Å; F7-M14 HydrophobicContact CZ-SD 4.2Å; F9-M14 HydrophobicContact CD2-CE 4.17Å; F9-M14 HydrophobicContact CD2-CG 4.03Å; F9-M14 HydrophobicContact CD2-SD 3.88Å; F9-M14 HydrophobicContact CE2-CE 3.91Å; F9-M14 HydrophobicContact CE2-CG 3.54Å; F9-M14 HydrophobicContact CE2-SD 3.88Å; F9-M14 HydrophobicContact CZ-CG 4.06Å; M14-E30 CarbonylContact O-C 3.56Å; M14-E30 WeakPolarHBondContact O-CA 3.34Å; M14-E30 WeakPolarHBondContact O-CB 3.33Å; M14-I31 HydrophobicContact CB-CG2 4.3Å; M14-I31 PolarHBondContact N-O 2.95Å; M14-I31 PolarHBondContact O-N 3.02Å; M14-L59 HydrophobicContact CB-CD1 3.7Å; M14-L59 HydrophobicContact CB-CD2 3.88Å; M14-L59 HydrophobicContact CB-CG 4.32Å; M14-A77 WeakPolarHBondContact CA-O 3.43Å; M14-A77 WeakPolarHBondContact CE-O 3.32Å
15S97.6Very high95.3Very high0 Ų060.7 Ų60.70%036%0.361CS..EExtended strand (participates in β ladder)trans-116.8153.7-175.5-67.60000112.6W27 G29 E30 C76 A77 N79 F84S15-W27 PolarHBondContact OG-NE1 2.87Å; S15-G29 CarbonylContact C-O 3.59Å; S15-G29 VanDerWaalsContact CA-O 3.29Å; S15-G29 WeakPolarHBondContact CA-O 3.36Å; S15-E30 VanDerWaalsContact OG-CB 3.27Å; S15-E30 WeakPolarHBondContact OG-CB 3.5Å; S15-C76 CarbonylContact O-C 3.39Å; S15-C76 VanDerWaalsContact O-CA 3.31Å; S15-C76 WeakPolarHBondContact O-CA 3.42Å; S15-A77 PolarHBondContact N-O 2.95Å; S15-A77 PolarHBondContact O-N 3.48Å; S15-N79 WeakPolarHBondContact CB-OD1 3.38Å; S15-N79 PolarHBondContact OG-ND2 2.8Å; S15-N79 PolarHBondContact OG-OD1 2.62Å; S15-F84 WeakPolarHBondContact OG-CE1 3.34Å
16W98.3Very high95.4Very high14 Ų1458.7 Ų58.75%0.05334%0.34CS..EExtended strand (participates in β ladder)trans-109.2138.2160.8-76.8100.1000110.2C2 I28 G29 L59 Y60 L61 Y75 C76C2-W16 HydrophobicContact CB-CH2 3.77Å; C2-W16 HydrophobicContact CB-CZ2 3.99Å; W16-I28 HydrophobicContact CB-CB 4.1Å; W16-I28 HydrophobicContact CB-CD1 4.13Å; W16-I28 WeakPolarHBondContact O-CB 3.23Å; W16-I28 PolarHBondContact O-N 3.13Å; W16-G29 PolarHBondContact N-O 2.89Å; W16-L59 HydrophobicContact CD2-CD2 4.28Å; W16-L59 HydrophobicContact CG-CD2 4.27Å; W16-L59 HydrophobicContact CZ2-CD2 4.17Å; W16-L59 HydrophobicContact CZ2-CG 4.28Å; W16-L59 VanDerWaalsContact NE1-CG 3.34Å; W16-Y60 PolarHBondContact NE1-O 2.8Å; W16-Y60 VanDerWaalsContact NE1-O 3.13Å; W16-L61 HydrophobicContact CB-CD1 4.21Å; W16-L61 HydrophobicContact CB-CD2 4.39Å; W16-L61 HydrophobicContact CD2-CB 3.85Å; W16-L61 HydrophobicContact CD2-CD1 4.44Å; W16-L61 HydrophobicContact CD2-CD2 4.02Å; W16-L61 HydrophobicContact CD2-CG 4.34Å; W16-L61 HydrophobicContact CE3-CB 4.45Å; W16-L61 HydrophobicContact CE3-CD2 4.17Å; W16-L61 HydrophobicContact CG-CB 4.14Å; W16-L61 HydrophobicContact CG-CD1 3.88Å; W16-L61 HydrophobicContact CG-CD2 4.11Å; W16-L61 HydrophobicContact CG-CG 4.28Å; W16-L61 HydrophobicContact CZ2-CB 3.94Å; W16-Y75 CarbonylContact C-O 3.55Å; W16-Y75 WeakPolarHBondContact CA-O 3.37Å; W16-Y75 VanDerWaalsContact CE3-C 3.49Å; W16-C76 HydrophobicContact CE3-CB 4.33Å; W16-C76 HydrophobicContact CH2-CB 4.12Å; W16-C76 HydrophobicContact CZ2-CB 4.34Å; W16-C76 HydrophobicContact CZ3-CB 4.12Å
17V97.9Very high95.7Very high4 Ų458.4 Ų58.42%0.02431%0.314CS..EExtended strand (participates in β ladder)trans-133.4144.6178.4-177.90000107.4L25 E26 Y75 F84 W87V17-L25 HydrophobicContact CG1-CB 3.92Å; V17-L25 HydrophobicContact CG1-CD2 4.04Å; V17-L25 HydrophobicContact CG1-CG 4.44Å; V17-E26 CarbonylContact C-O 3.57Å; V17-E26 WeakPolarHBondContact CA-O 2.99Å; V17-E26 WeakPolarHBondContact CG1-O 3.24Å; V17-Y75 PolarHBondContact N-O 3.39Å; V17-Y75 PolarHBondContact O-N 3.42Å; V17-F84 HydrophobicContact CG2-CZ 4.44Å; V17-W87 HydrophobicContact CB-CH2 4.06Å; V17-W87 HydrophobicContact CB-CZ3 3.8Å; V17-W87 HydrophobicContact CG1-CH2 4Å; V17-W87 HydrophobicContact CG1-CZ3 4Å; V17-W87 HydrophobicContact CG2-CH2 3.76Å; V17-W87 HydrophobicContact CG2-CZ3 3.89Å
18R97.4Very high96Very high21 Ų2156.5 Ų56.58%0.07931%0.306CS..EExtended strand (participates in β ladder)trans-125158.8171.867177.3-170.5176.22.6112.7E26 I28 L44 D70 A72 L73 Y74R18-E26 HydrophobicContact CG-CB 4.19Å; R18-E26 IonicContact CZ-OE2 3.48Å; R18-E26 PolarHBondContact N-O 3.1Å; R18-E26 IonicContact NE-OE2 2.74Å; R18-E26 PolarHBondContact NE-OE2 2.8Å; R18-E26 IonicContact NH2-OE1 2.82Å; R18-E26 IonicContact NH2-OE2 3.59Å; R18-E26 PolarHBondContact NH2-OE2 2.76Å; R18-E26 PolarHBondContact O-N 2.76Å; R18-I28 HydrophobicContact CB-CD1 3.97Å; R18-I28 HydrophobicContact CB-CG1 4.43Å; R18-I28 HydrophobicContact CG-CD1 4.07Å; R18-I28 HydrophobicContact CG-CG1 4.07Å; R18-L44 VanDerWaalsContact NH2-CD2 3.33Å; R18-D70 IonicContact CZ-OD1 3.71Å; R18-D70 IonicContact NH1-OD1 2.76Å; R18-D70 PolarHBondContact NH1-OD1 3.21Å; R18-A72 HydrophobicContact CB-CB 3.97Å; R18-A72 HydrophobicContact CG-CB 4.47Å; R18-L73 CarbonylContact C-O 3.59Å; R18-L73 WeakPolarHBondContact CA-O 2.97Å; R18-Y74 HydrophobicContact CB-CD1 3.91Å; R18-Y74 HydrophobicContact CB-CE1 3.85Å; R18-Y74 HydrophobicContact CB-CE2 4.48Å; R18-Y74 HydrophobicContact CB-CG 4.28Å; R18-Y74 HydrophobicContact CG-CE1 4.49Å
19Q97.9Very high96.3Very high67 Ų6753.4 Ų53.431%0.31329%0.289SS..EExtended strand (participates in β ladder)trans-135.3105.7173.6-170.117823.900109.8K23 L25 A72 L73 Y75Q19-K23 WeakPolarHBondContact CG-O 3.38Å; Q19-K23 PolarHBondContact NE2-O 3.11Å; Q19-L25 HydrophobicContact CB-CD2 3.95Å; Q19-L25 HydrophobicContact CG-CD2 4.36Å; Q19-A72 WeakPolarHBondContact O-CA 3.12Å; Q19-A72 WeakPolarHBondContact O-CB 3.46Å; Q19-L73 PolarHBondContact N-O 2.86Å; Q19-L73 PolarHBondContact O-N 3.11Å; Q19-Y75 HydrophobicContact CB-CE2 4.03Å
20A96.6Very high96.4Very high24 Ų2455 Ų5520%0.19830%0.297CS..  trans-72.3153.2172.800000110.6G22 K23 A72A20-G22 PolarHBondContact O-N 2.9Å; A20-K23 HydrophobicContact CB-CB 4.12Å; A20-K23 HydrophobicContact CB-CG 3.95Å; A20-K23 WeakPolarHBondContact O-CB 3.4Å; A20-K23 PolarHBondContact O-N 3.15Å; A20-A72 HydrophobicContact CB-CB 4.4Å
21P95.6Very high96.5Very high103 Ų10353 Ų5367%0.66928%0.282SS*.THydrogen-bonded Turntrans-53126.6177.3-26.634.7000112.2K23 T71P21-K23 PolarHBondContact O-N 2.82Å; P21-T71 WeakPolarHBondContact CD-O 3.45Å
22G95.6Very high96.7Very high88 Ų8844.9 Ų44.991%0.90725%0.253SS*.THydrogen-bonded Turntrans7111.4-17900000115.3A20A20-G22 PolarHBondContact O-N 2.9Å
23K95.4Very high96.9Very high147 Ų14744.3 Ų44.364%0.63925%0.254SS*.  trans-114161.4175.8-59-64.5-174.2176.50111.6Q19 A20 P21Q19-K23 WeakPolarHBondContact CG-O 3.38Å; Q19-K23 PolarHBondContact NE2-O 3.11Å; A20-K23 HydrophobicContact CB-CB 4.12Å; A20-K23 HydrophobicContact CB-CG 3.95Å; A20-K23 WeakPolarHBondContact O-CB 3.4Å; A20-K23 PolarHBondContact O-N 3.15Å; P21-K23 PolarHBondContact O-N 2.82Å
24G95.6Very high96.9Very high54 Ų5445.7 Ų45.756%0.55727%0.268SS*.  trans-72.1177.5169.200000112.2
25L96.1Very high96.9Very high102 Ų10247.9 Ų47.953%0.53428%0.284SS..EExtended strand (participates in β ladder)trans-65.6131.4171.8-66.4175.1000110.1V17 Q19 Y75 W87V17-L25 HydrophobicContact CG1-CB 3.92Å; V17-L25 HydrophobicContact CG1-CD2 4.04Å; V17-L25 HydrophobicContact CG1-CG 4.44Å; Q19-L25 HydrophobicContact CB-CD2 3.95Å; Q19-L25 HydrophobicContact CG-CD2 4.36Å; L25-Y75 HydrophobicContact CD2-CD2 4.45Å; L25-Y75 HydrophobicContact CD2-CE2 4.27Å; L25-W87 HydrophobicContact CD1-CH2 3.99Å
26E96.5Very high96.9Very high64 Ų6452 Ų5230%0.29931%0.313SS..EExtended strand (participates in β ladder)trans-118118.7175.3-176.5-177.6-160.300108.7V17 R18 L44V17-E26 CarbonylContact C-O 3.57Å; V17-E26 WeakPolarHBondContact CA-O 2.99Å; V17-E26 WeakPolarHBondContact CG1-O 3.24Å; R18-E26 HydrophobicContact CG-CB 4.19Å; R18-E26 IonicContact CZ-OE2 3.48Å; R18-E26 PolarHBondContact N-O 3.1Å; R18-E26 IonicContact NE-OE2 2.74Å; R18-E26 PolarHBondContact NE-OE2 2.8Å; R18-E26 IonicContact NH2-OE1 2.82Å; R18-E26 IonicContact NH2-OE2 3.59Å; R18-E26 PolarHBondContact NH2-OE2 2.76Å; R18-E26 PolarHBondContact O-N 2.76Å; E26-L44 HydrophobicContact CG-CD1 4.31Å
27W96.9Very high96.8Very high72 Ų7254 Ų5427%0.27333%0.327SS..EExtended strand (participates in β ladder)trans-71.8132.2175.5179.881.4000110.1S15 G29 E30 N39 T41 F84S15-W27 PolarHBondContact OG-NE1 2.87Å; W27-G29 VanDerWaalsContact CE2-C 3.5Å; W27-G29 VanDerWaalsContact CZ2-C 3.4Å; W27-G29 VanDerWaalsContact CZ2-CA 3.41Å; W27-G29 PolarHBondContact NE1-O 2.9Å; W27-E30 HydrophobicContact CH2-CG 4.41Å; W27-E30 HydrophobicContact CZ2-CB 3.76Å; W27-E30 HydrophobicContact CZ2-CG 3.63Å; W27-N39 HydrophobicContact CH2-CB 3.76Å; W27-N39 HydrophobicContact CZ2-CB 4.38Å; W27-T41 VanDerWaalsContact CE3-OG1 3.31Å; W27-T41 WeakPolarHBondContact O-CB 3.03Å; W27-T41 PolarHBondContact O-OG1 2.82Å; W27-F84 AromaticContact CD1-CZ 3.91Å
28I97.4Very high96.8Very high0 Ų057 Ų570%034%0.341CS..EExtended strand (participates in β ladder)trans-91-46.9179.8-64.3171.5000110.1W16 R18 Y40 T41 L44 F48 L61 Y74W16-I28 HydrophobicContact CB-CB 4.1Å; W16-I28 HydrophobicContact CB-CD1 4.13Å; W16-I28 WeakPolarHBondContact O-CB 3.23Å; W16-I28 PolarHBondContact O-N 3.13Å; R18-I28 HydrophobicContact CB-CD1 3.97Å; R18-I28 HydrophobicContact CB-CG1 4.43Å; R18-I28 HydrophobicContact CG-CD1 4.07Å; R18-I28 HydrophobicContact CG-CG1 4.07Å; I28-Y40 WeakPolarHBondContact O-CA 3.49Å; I28-T41 PolarHBondContact O-N 2.78Å; I28-L44 HydrophobicContact CB-CD1 4.47Å; I28-L44 HydrophobicContact CG1-CD1 4.1Å; I28-F48 HydrophobicContact CG2-CB 4.02Å; I28-F48 HydrophobicContact CG2-CD2 3.66Å; I28-F48 HydrophobicContact CG2-CG 4.06Å; I28-L61 HydrophobicContact CD1-CD2 4.06Å; I28-L61 HydrophobicContact CG2-CD1 4.38Å; I28-Y74 HydrophobicContact CD1-CD1 3.64Å; I28-Y74 HydrophobicContact CD1-CE1 3.51Å
29G97.4Very high96.8Very high0 Ų059.2 Ų59.20%036%0.355CS..EExtended strand (participates in β ladder)trans167173.8-172.500000112S15 W16 W27 N39S15-G29 CarbonylContact C-O 3.59Å; S15-G29 VanDerWaalsContact CA-O 3.29Å; S15-G29 WeakPolarHBondContact CA-O 3.36Å; W16-G29 PolarHBondContact N-O 2.89Å; W27-G29 VanDerWaalsContact CE2-C 3.5Å; W27-G29 VanDerWaalsContact CZ2-C 3.4Å; W27-G29 VanDerWaalsContact CZ2-CA 3.41Å; W27-G29 PolarHBondContact NE1-O 2.9Å; G29-N39 CarbonylContact C-O 3.6Å; G29-N39 WeakPolarHBondContact CA-O 3.45Å
30E97.3Very high96.8Very high33 Ų3358 Ų5815%0.15435%0.348CS..EExtended strand (participates in β ladder)trans-144.1158.7179.672.5-170.2166.900111.7W13 M14 S15 W27 I38 N39 N79W13-E30 HydrophobicContact CE3-CB 4.27Å; W13-E30 HydrophobicContact CE3-CG 3.5Å; W13-E30 HydrophobicContact CZ3-CG 3.63Å; W13-E30 WeakPolarHBondContact CZ3-OE1 3.38Å; M14-E30 CarbonylContact O-C 3.56Å; M14-E30 WeakPolarHBondContact O-CA 3.34Å; M14-E30 WeakPolarHBondContact O-CB 3.33Å; S15-E30 VanDerWaalsContact OG-CB 3.27Å; S15-E30 WeakPolarHBondContact OG-CB 3.5Å; W27-E30 HydrophobicContact CH2-CG 4.41Å; W27-E30 HydrophobicContact CZ2-CB 3.76Å; W27-E30 HydrophobicContact CZ2-CG 3.63Å; E30-I38 VanDerWaalsContact O-CA 3.29Å; E30-I38 WeakPolarHBondContact O-CA 3.15Å; E30-I38 WeakPolarHBondContact O-CG2 3.31Å; E30-N39 HydrophobicContact CG-CB 4.05Å; E30-N39 PolarHBondContact N-O 2.8Å; E30-N39 PolarHBondContact O-N 2.74Å; E30-N39 PolarHBondContact OE1-ND2 2.86Å; E30-N79 PolarHBondContact OE2-ND2 2.74Å
31I98.1Very high96.8Very high3 Ų358.3 Ų58.32%0.01535%0.347CS..EExtended strand (participates in β ladder)trans-130.8136.3177-175.2161.3000110.2W13 M14 I38 I50 R52 L59W13-I31 WeakPolarHBondContact CA-O 3.39Å; M14-I31 HydrophobicContact CB-CG2 4.3Å; M14-I31 PolarHBondContact N-O 2.95Å; M14-I31 PolarHBondContact O-N 3.02Å; I31-I38 HydrophobicContact CB-CG1 4.39Å; I31-I38 HydrophobicContact CD1-CD1 3.91Å; I31-I38 HydrophobicContact CD1-CG1 3.94Å; I31-I38 HydrophobicContact CG1-CD1 4.5Å; I31-I38 HydrophobicContact CG1-CG1 3.97Å; I31-I50 HydrophobicContact CB-CG2 3.88Å; I31-I50 HydrophobicContact CG2-CG2 3.63Å; I31-R52 HydrophobicContact CD1-CG 3.94Å; I31-R52 HydrophobicContact CG1-CG 4.38Å; I31-R52 HydrophobicContact CG2-CB 4.45Å; I31-R52 HydrophobicContact CG2-CG 4.5Å; I31-L59 HydrophobicContact CG2-CD1 3.52Å
32N96.6Very high96.8Very high14 Ų1458.9 Ų58.98%0.07535%0.351CS..  trans-78.2167179.978.1-28.6000112.4W13 D34 S35 S36 T37 R52W13-N32 HydrophobicContact CD2-CB 3.6Å; W13-N32 HydrophobicContact CE3-CB 3.92Å; W13-N32 HydrophobicContact CG-CB 4.26Å; W13-N32 HydrophobicContact CH2-CB 3.74Å; W13-N32 HydrophobicContact CZ2-CB 3.38Å; W13-N32 HydrophobicContact CZ3-CB 3.99Å; N32-D34 VanDerWaalsContact C-N 3.34Å; N32-D34 VanDerWaalsContact CG-OD1 3.23Å; N32-D34 PolarHBondContact ND2-OD1 3.1Å; N32-D34 PolarHBondContact O-N 2.76Å; N32-D34 PolarHBondContact OD1-OD1 2.92Å; N32-S35 PolarHBondContact O-N 2.01Å; N32-S35 VanDerWaalsContact OD1-CA 3.28Å; N32-S35 WeakPolarHBondContact OD1-CA 3.29Å; N32-S35 PolarHBondContact OD1-N 2.9Å; N32-S35 VanDerWaalsContact OD1-N 3.09Å; N32-S36 PolarHBondContact ND2-OG 2.86Å; N32-S36 PolarHBondContact OD1-N 3.16Å; N32-T37 PolarHBondContact N-O 3.3Å; N32-T37 VanDerWaalsContact N-O 3.13Å; N32-T37 PolarHBondContact OD1-N 3.46Å; N32-T37 PolarHBondContact OD1-O 2.61Å; N32-T37 VanDerWaalsContact OD1-O 3.11Å; N32-R52 WeakPolarHBondContact O-CD 3.42Å; N32-R52 PolarHBondContact O-NH1 3.18Å; N32-R52 VanDerWaalsContact O-NH1 3.08Å
33P96.7Very high96.6Very high34 Ų3458.7 Ų58.722%0.22134%0.336CS..THydrogen-bonded Turntrans-45.1-47.1180-40.844000116.8S10 R11 W13 R52 N54S10-P33 VanDerWaalsContact O-CB 3.28Å; S10-P33 WeakPolarHBondContact O-CB 3.37Å; R11-P33 WeakPolarHBondContact O-CG 3.33Å; W13-P33 VanDerWaalsContact CD1-CD 3.47Å; P33-R52 VanDerWaalsContact CA-NH1 3.28Å; P33-N54 PolarHBondContact O-ND2 2.81Å
34D96.3Very high96.4Very high111 Ų11151.9 Ų51.959%0.59431%0.306SS*.THydrogen-bonded Turntrans-95.24.2-174.567.28.3000113.4N32 S36N32-D34 VanDerWaalsContact C-N 3.34Å; N32-D34 VanDerWaalsContact CG-OD1 3.23Å; N32-D34 PolarHBondContact ND2-OD1 3.1Å; N32-D34 PolarHBondContact O-N 2.76Å; N32-D34 PolarHBondContact OD1-OD1 2.92Å; D34-S36 PolarHBondContact O-N 2.91Å; D34-S36 VanDerWaalsContact OD1-CB 3.24Å; D34-S36 WeakPolarHBondContact OD1-CB 3.28Å; D34-S36 PolarHBondContact OD1-N 3.06Å; D34-S36 PolarHBondContact OD1-OG 2.9Å; D34-S36 PolarHBondContact OD2-OG 2.86Å
35S97.3Very high96.2Very high51 Ų5155.4 Ų55.436%0.35731%0.306SS..SBendtrans61.811.3-178-46.60000115.5N32 T37 R52N32-S35 PolarHBondContact O-N 2.01Å; N32-S35 VanDerWaalsContact OD1-CA 3.28Å; N32-S35 WeakPolarHBondContact OD1-CA 3.29Å; N32-S35 PolarHBondContact OD1-N 2.9Å; N32-S35 VanDerWaalsContact OD1-N 3.09Å; S35-T37 VanDerWaalsContact C-N 3.29Å; S35-R52 WeakPolarHBondContact OG-CD 3.49Å; S35-R52 WeakPolarHBondContact OG-CG 3.4Å
36S97.6Very high96.1Very high86 Ų8656.7 Ų56.760%0.60131%0.314SS*.SBendtrans-72.9-23.2177.563.60000113N32 D34N32-S36 PolarHBondContact ND2-OG 2.86Å; N32-S36 PolarHBondContact OD1-N 3.16Å; D34-S36 PolarHBondContact O-N 2.91Å; D34-S36 VanDerWaalsContact OD1-CB 3.24Å; D34-S36 WeakPolarHBondContact OD1-CB 3.28Å; D34-S36 PolarHBondContact OD1-N 3.06Å; D34-S36 PolarHBondContact OD1-OG 2.9Å; D34-S36 PolarHBondContact OD2-OG 2.86Å
37T97.7Very high96Very high57 Ų5755.4 Ų55.435%0.3531%0.307SS..  trans-127.8130.9-178.2-560000110.8W13 N32 S35W13-T37 HydrophobicContact CH2-CG2 3.93Å; W13-T37 HydrophobicContact CZ3-CG2 4.46Å; N32-T37 PolarHBondContact N-O 3.3Å; N32-T37 VanDerWaalsContact N-O 3.13Å; N32-T37 PolarHBondContact OD1-N 3.46Å; N32-T37 PolarHBondContact OD1-O 2.61Å; N32-T37 VanDerWaalsContact OD1-O 3.11Å; S35-T37 VanDerWaalsContact C-N 3.29Å
38I97.7Very high95.9Very high65 Ų6552 Ų5233%0.33329%0.294SS..EExtended strand (participates in β ladder)trans-133.4120.3173.1-45.9177.7000108.6E30 I31 Y40 I50E30-I38 VanDerWaalsContact O-CA 3.29Å; E30-I38 WeakPolarHBondContact O-CA 3.15Å; E30-I38 WeakPolarHBondContact O-CG2 3.31Å; I31-I38 HydrophobicContact CB-CG1 4.39Å; I31-I38 HydrophobicContact CD1-CD1 3.91Å; I31-I38 HydrophobicContact CD1-CG1 3.94Å; I31-I38 HydrophobicContact CG1-CD1 4.5Å; I31-I38 HydrophobicContact CG1-CG1 3.97Å; I38-Y40 HydrophobicContact CB-CE2 3.92Å; I38-Y40 HydrophobicContact CG2-CD2 4Å; I38-Y40 HydrophobicContact CG2-CE1 4.39Å; I38-Y40 HydrophobicContact CG2-CE2 3.25Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.49Å; I38-I50 HydrophobicContact CG2-CB 4.19Å
39N97.2Very high95.9Very high68 Ų6855.9 Ų55.936%0.36431%0.314SS..EExtended strand (participates in β ladder)trans-102.2147.7175-58.6-41.8000109.7W27 G29 E30W27-N39 HydrophobicContact CH2-CB 3.76Å; W27-N39 HydrophobicContact CZ2-CB 4.38Å; G29-N39 CarbonylContact C-O 3.6Å; G29-N39 WeakPolarHBondContact CA-O 3.45Å; E30-N39 HydrophobicContact CG-CB 4.05Å; E30-N39 PolarHBondContact N-O 2.8Å; E30-N39 PolarHBondContact O-N 2.74Å; E30-N39 PolarHBondContact OE1-ND2 2.86Å
40Y97.5Very high95.9Very high43 Ų4356 Ų5617%0.16931%0.314CS..EExtended strand (participates in β ladder)trans-137.6153.1-179.4-70.2-88000111I28 I38 K45 F48 I50I28-Y40 WeakPolarHBondContact O-CA 3.49Å; I38-Y40 HydrophobicContact CB-CE2 3.92Å; I38-Y40 HydrophobicContact CG2-CD2 4Å; I38-Y40 HydrophobicContact CG2-CE1 4.39Å; I38-Y40 HydrophobicContact CG2-CE2 3.25Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.49Å; Y40-K45 HydrophobicContact CD2-CD 4.3Å; Y40-K45 HydrophobicContact CD2-CG 3.9Å; Y40-K45 HydrophobicContact CE2-CG 4.47Å; Y40-K45 HydrophobicContact CG-CB 4.06Å; Y40-K45 HydrophobicContact CG-CG 3.96Å; Y40-F48 VanDerWaalsContact CE1-O 3.23Å; Y40-F48 WeakPolarHBondContact CE1-O 3.46Å; Y40-I50 HydrophobicContact CD1-CD1 4.34Å; Y40-I50 HydrophobicContact CE1-CB 4.49Å; Y40-I50 HydrophobicContact CE1-CD1 3.84Å; Y40-I50 HydrophobicContact CE1-CG1 3.82Å; Y40-I50 PolarHBondContact OH-N 2.82Å
41T96.5Very high96Very high30 Ų3056.8 Ų56.818%0.18432%0.324CS..  trans-64.6125157.3-68.10000108.7W27 I28 S43 L44 K45W27-T41 VanDerWaalsContact CE3-OG1 3.31Å; W27-T41 WeakPolarHBondContact O-CB 3.03Å; W27-T41 PolarHBondContact O-OG1 2.82Å; I28-T41 PolarHBondContact O-N 2.78Å; T41-S43 VanDerWaalsContact C-N 3.28Å; T41-S43 WeakPolarHBondContact CG2-OG 3.28Å; T41-S43 PolarHBondContact O-N 2.9Å; T41-S43 VanDerWaalsContact O-N 3.14Å; T41-L44 HydrophobicContact CG2-CD1 4.23Å; T41-L44 HydrophobicContact CG2-CG 4.15Å; T41-L44 PolarHBondContact O-N 3.1Å; T41-K45 PolarHBondContact O-N 3.25Å
42P94.7Very high96Very high115 Ų11557.8 Ų57.875%0.74733%0.328SS*.THydrogen-bonded Turntrans-54.4-38.9-171.3-30.635.7000114.7L44P42-L44 PolarHBondContact O-N 3.43Å
43S91.8Very high96.1Very high84 Ų8459.2 Ų59.259%0.58734%0.335SS*.THydrogen-bonded Turntrans-69.8-13.7179.553.90000114.3T41T41-S43 VanDerWaalsContact C-N 3.28Å; T41-S43 WeakPolarHBondContact CG2-OG 3.28Å; T41-S43 PolarHBondContact O-N 2.9Å; T41-S43 VanDerWaalsContact O-N 3.14Å
44L92.6Very high96.1Very high4 Ų460.3 Ų60.32%0.02134%0.339CS..THydrogen-bonded Turntrans-113.3-13.8-172.3-58.3-176.3000113.4R18 E26 I28 T41 P42 D46 K47 F48R18-L44 VanDerWaalsContact NH2-CD2 3.33Å; E26-L44 HydrophobicContact CG-CD1 4.31Å; I28-L44 HydrophobicContact CB-CD1 4.47Å; I28-L44 HydrophobicContact CG1-CD1 4.1Å; T41-L44 HydrophobicContact CG2-CD1 4.23Å; T41-L44 HydrophobicContact CG2-CG 4.15Å; T41-L44 PolarHBondContact O-N 3.1Å; P42-L44 PolarHBondContact O-N 3.43Å; L44-D46 VanDerWaalsContact C-N 3.29Å; L44-D46 PolarHBondContact O-N 3.24Å; L44-K47 PolarHBondContact O-N 3.04Å; L44-K47 VanDerWaalsContact O-N 3.1Å; L44-F48 HydrophobicContact CB-CD2 3.95Å; L44-F48 HydrophobicContact CB-CE2 4.22Å; L44-F48 HydrophobicContact CD2-CE2 4.2Å; L44-F48 PolarHBondContact O-N 3.26Å; L44-F48 VanDerWaalsContact O-N 3.16Å
45K91.3Very high96.1Very high128 Ų12859.8 Ų59.856%0.55735%0.35SS*.THydrogen-bonded Turntrans-57.4-35.4-176.4-176.4177.9176-178.90114Y40 T41 K47Y40-K45 HydrophobicContact CD2-CD 4.3Å; Y40-K45 HydrophobicContact CD2-CG 3.9Å; Y40-K45 HydrophobicContact CE2-CG 4.47Å; Y40-K45 HydrophobicContact CG-CB 4.06Å; Y40-K45 HydrophobicContact CG-CG 3.96Å; T41-K45 PolarHBondContact O-N 3.25Å; K45-K47 VanDerWaalsContact C-N 3.27Å; K45-K47 PolarHBondContact O-N 2.92Å
46D92.4Very high96.1Very high128 Ų12863.6 Ų63.668%0.68436%0.36SS*.THydrogen-bonded Turntrans-80.6-9.5-177.6-66.7-23.5000113.7L44L44-D46 VanDerWaalsContact C-N 3.29Å; L44-D46 PolarHBondContact O-N 3.24Å
47K94.8Very high96.1Very high37 Ų3762.6 Ų62.616%0.16135%0.348CS..THydrogen-bonded Turntrans-102.3-38.4-179.2-62-175-179.6-170.90111.8L44 K45 S64 D70L44-K47 PolarHBondContact O-N 3.04Å; L44-K47 VanDerWaalsContact O-N 3.1Å; K45-K47 VanDerWaalsContact C-N 3.27Å; K45-K47 PolarHBondContact O-N 2.92Å; K47-S64 CarbonylContact C-O 3.51Å; K47-S64 VanDerWaalsContact CA-O 3.29Å; K47-S64 WeakPolarHBondContact CA-O 3.4Å; K47-S64 WeakPolarHBondContact O-CA 3.39Å; K47-S64 PolarHBondContact O-N 2.98Å; K47-S64 PolarHBondContact O-OG 3.14Å; K47-D70 VanDerWaalsContact NZ-CG 3.26Å; K47-D70 IonicContact NZ-OD1 2.74Å; K47-D70 PolarHBondContact NZ-OD1 3.02Å; K47-D70 IonicContact NZ-OD2 2.8Å; K47-D70 PolarHBondContact NZ-OD2 3.03Å
48F95.9Very high96.2Very high0 Ų060.6 Ų60.60%034%0.336CS..EExtended strand (participates in β ladder)trans-115.2136.7-171-56.6-57.8000112.4I28 Y40 L44 L61 Q62 M63 V66 Y74I28-F48 HydrophobicContact CG2-CB 4.02Å; I28-F48 HydrophobicContact CG2-CD2 3.66Å; I28-F48 HydrophobicContact CG2-CG 4.06Å; Y40-F48 VanDerWaalsContact CE1-O 3.23Å; Y40-F48 WeakPolarHBondContact CE1-O 3.46Å; L44-F48 HydrophobicContact CB-CD2 3.95Å; L44-F48 HydrophobicContact CB-CE2 4.22Å; L44-F48 HydrophobicContact CD2-CE2 4.2Å; L44-F48 PolarHBondContact O-N 3.26Å; L44-F48 VanDerWaalsContact O-N 3.16Å; F48-L61 HydrophobicContact CB-CD1 3.8Å; F48-L61 HydrophobicContact CD1-CD1 4.46Å; F48-L61 HydrophobicContact CD1-CD2 4.35Å; F48-L61 HydrophobicContact CD1-CG 4.32Å; F48-L61 HydrophobicContact CG-CD1 4.28Å; F48-Q62 WeakPolarHBondContact CA-O 3.49Å; F48-M63 HydrophobicContact CD1-CB 3.94Å; F48-M63 HydrophobicContact CD1-CE 4.25Å; F48-M63 HydrophobicContact CD1-CG 3.7Å; F48-M63 HydrophobicContact CE1-CB 3.89Å; F48-M63 HydrophobicContact CE1-CE 3.42Å; F48-M63 VanDerWaalsContact CE1-CE 3.42Å; F48-M63 HydrophobicContact CE1-CG 3.75Å; F48-M63 HydrophobicContact CE1-SD 4.43Å; F48-M63 HydrophobicContact CZ-CE 4.11Å; F48-V66 HydrophobicContact CE1-CG1 4.04Å; F48-Y74 HydrophobicContact CE1-CE1 4.39Å; F48-Y74 HydrophobicContact CZ-CE1 4.25Å
49I96.8Very high96.2Very high82 Ų8257.5 Ų57.542%0.42132%0.32SS..EExtended strand (participates in β ladder)trans-117.9119.4172.4-57.7171.7000107.6Q62I49-Q62 HydrophobicContact CB-CB 4.21Å; I49-Q62 PolarHBondContact N-O 3.12Å; I49-Q62 PolarHBondContact O-N 3.04Å
50I98.1Very high96.3Very high2 Ų257.8 Ų57.81%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-92.8135.5175.6-58.5173.4000108.7I31 I38 Y40 L59 L61I31-I50 HydrophobicContact CB-CG2 3.88Å; I31-I50 HydrophobicContact CG2-CG2 3.63Å; I38-I50 HydrophobicContact CG2-CB 4.19Å; Y40-I50 HydrophobicContact CD1-CD1 4.34Å; Y40-I50 HydrophobicContact CE1-CB 4.49Å; Y40-I50 HydrophobicContact CE1-CD1 3.84Å; Y40-I50 HydrophobicContact CE1-CG1 3.82Å; Y40-I50 PolarHBondContact OH-N 2.82Å; I50-L59 HydrophobicContact CG2-CD1 4.03Å; I50-L61 HydrophobicContact CG1-CD1 3.75Å
51S98.3Very high96.3Very high51 Ų5156.9 Ų56.936%0.35732%0.315SS..EExtended strand (participates in β ladder)trans-146.7164.517162.80000110.5Y60S51-Y60 PolarHBondContact N-O 3.4Å; S51-Y60 PolarHBondContact O-N 2.92Å
52R98.3Very high96.4Very high24 Ų2461 Ų619%0.09133%0.332CS..EExtended strand (participates in β ladder)trans-140.1153.2-178.264.2-176.5-66.5159.33.4111.6F9 Y12 I31 N32 P33 S35 N54 T58 L59F9-R52 VanDerWaalsContact CD1-NH2 3.32Å; F9-R52 HydrophobicContact CE1-CB 4.24Å; F9-R52 VanDerWaalsContact CE1-NH2 3.25Å; F9-R52 HydrophobicContact CZ-CB 4.12Å; F9-R52 PolarHBondContact O-NH2 3.14Å; Y12-R52 PolarHBondContact O-NH1 3.13Å; I31-R52 HydrophobicContact CD1-CG 3.94Å; I31-R52 HydrophobicContact CG1-CG 4.38Å; I31-R52 HydrophobicContact CG2-CB 4.45Å; I31-R52 HydrophobicContact CG2-CG 4.5Å; N32-R52 WeakPolarHBondContact O-CD 3.42Å; N32-R52 PolarHBondContact O-NH1 3.18Å; N32-R52 VanDerWaalsContact O-NH1 3.08Å; P33-R52 VanDerWaalsContact CA-NH1 3.28Å; S35-R52 WeakPolarHBondContact OG-CD 3.49Å; S35-R52 WeakPolarHBondContact OG-CG 3.4Å; R52-N54 PolarHBondContact NE-OD1 2.84Å; R52-N54 PolarHBondContact NH2-OD1 2.78Å; R52-T58 CarbonylContact C-O 3.6Å; R52-T58 WeakPolarHBondContact CA-O 3.46Å; R52-L59 HydrophobicContact CB-CD1 4.15Å
53D98.1Very high96.4Very high43 Ų4358.5 Ų58.523%0.2331%0.311CS..EExtended strand (participates in β ladder)trans-126.7107.4171.4-177.2-22000108.4A55 K56 N57 T58 Y60D53-A55 WeakPolarHBondContact OD1-CB 3.21Å; D53-A55 PolarHBondContact OD1-N 2.76Å; D53-K56 HydrophobicContact CB-CB 4.25Å; D53-K56 PolarHBondContact O-N 2.78Å; D53-K56 PolarHBondContact OD1-N 2.92Å; D53-K56 VanDerWaalsContact OD1-N 3.13Å; D53-K56 WeakPolarHBondContact OD2-CD 3.38Å; D53-K56 WeakPolarHBondContact OD2-CE 3.32Å; D53-K56 WeakPolarHBondContact OD2-CG 3.39Å; D53-K56 IonicContact OD2-NZ 2.9Å; D53-K56 PolarHBondContact OD2-NZ 2.89Å; D53-N57 PolarHBondContact O-N 2.73Å; D53-T58 PolarHBondContact N-O 2.99Å; D53-T58 PolarHBondContact O-N 3.01Å; D53-Y60 HydrophobicContact CB-CE2 3.86Å
54N97.5Very high96.4Very high58 Ų5856.2 Ų56.231%0.3130%0.295SS..THydrogen-bonded Turntrans-72.2-28.4-178.3-71.4-16000112.4F9 P33 R52 K56 N57F9-N54 WeakPolarHBondContact CE1-OD1 3.45Å; P33-N54 PolarHBondContact O-ND2 2.81Å; R52-N54 PolarHBondContact NE-OD1 2.84Å; R52-N54 PolarHBondContact NH2-OD1 2.78Å; N54-K56 PolarHBondContact O-N 2.87Å; N54-N57 PolarHBondContact O-N 3.34Å; N54-N57 PolarHBondContact O-OD1 2.89Å
55A96.7Very high96.2Very high100 Ų10064 Ų6483%0.82633%0.329SS*.THydrogen-bonded Turntrans-70-27.9176.900000111.5D53D53-A55 WeakPolarHBondContact OD1-CB 3.21Å; D53-A55 PolarHBondContact OD1-N 2.76Å
56K97.6Very high96.3Very high130 Ų13060.5 Ų60.557%0.56532%0.318SS*.THydrogen-bonded Turntrans-101.62.4177.7-61-178.2-166.51620114D53 N54 T58D53-K56 HydrophobicContact CB-CB 4.25Å; D53-K56 PolarHBondContact O-N 2.78Å; D53-K56 PolarHBondContact OD1-N 2.92Å; D53-K56 VanDerWaalsContact OD1-N 3.13Å; D53-K56 WeakPolarHBondContact OD2-CD 3.38Å; D53-K56 WeakPolarHBondContact OD2-CE 3.32Å; D53-K56 WeakPolarHBondContact OD2-CG 3.39Å; D53-K56 IonicContact OD2-NZ 2.9Å; D53-K56 PolarHBondContact OD2-NZ 2.89Å; N54-K56 PolarHBondContact O-N 2.87Å; K56-T58 PolarHBondContact O-N 2.78Å; K56-T58 VanDerWaalsContact O-N 3.12Å; K56-T58 PolarHBondContact O-OG1 2.91Å
57N97.3Very high96.4Very high65 Ų6561.7 Ų61.735%0.34831%0.313SS..THydrogen-bonded Turntrans46.640.5-171.9-62.6-36000113A4 F9 D53 N54A4-N57 PolarHBondContact N-O 3.24Å; F9-N57 HydrophobicContact CB-CB 3.95Å; F9-N57 HydrophobicContact CD1-CB 4.33Å; F9-N57 HydrophobicContact CG-CB 4.14Å; D53-N57 PolarHBondContact O-N 2.73Å; N54-N57 PolarHBondContact O-N 3.34Å; N54-N57 PolarHBondContact O-OD1 2.89Å
58T98.4Very high96.4Very high15 Ų1562.9 Ų62.99%0.09233%0.326CS..EExtended strand (participates in β ladder)trans-123.5130.4-169.7-59.80000111.7C2 R52 D53 K56 Y60C2-T58 CarbonylContact O-C 3.5Å; C2-T58 WeakPolarHBondContact O-CA 3.36Å; R52-T58 CarbonylContact C-O 3.6Å; R52-T58 WeakPolarHBondContact CA-O 3.46Å; D53-T58 PolarHBondContact N-O 2.99Å; D53-T58 PolarHBondContact O-N 3.01Å; K56-T58 PolarHBondContact O-N 2.78Å; K56-T58 VanDerWaalsContact O-N 3.12Å; K56-T58 PolarHBondContact O-OG1 2.91Å; T58-Y60 HydrophobicContact CG2-CD1 4.35Å; T58-Y60 HydrophobicContact CG2-CD2 4.28Å; T58-Y60 HydrophobicContact CG2-CE1 3.73Å; T58-Y60 HydrophobicContact CG2-CE2 3.67Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.49Å
59L98.6Very high96.3Very high0 Ų069.1 Ų69.10%036%0.355CS..EExtended strand (participates in β ladder)trans-96.7141.4170.7-170.671.5000110.5S1 C2 F9 M14 W16 I31 I50 R52 C76S1-L59 CarbonylContact C-O 3.44Å; S1-L59 WeakPolarHBondContact CA-O 3.47Å; C2-L59 HydrophobicContact CB-CB 4.47Å; C2-L59 PolarHBondContact N-O 2.65Å; C2-L59 PolarHBondContact O-N 2.87Å; F9-L59 HydrophobicContact CE2-CB 4.22Å; F9-L59 HydrophobicContact CZ-CB 4.21Å; M14-L59 HydrophobicContact CB-CD1 3.7Å; M14-L59 HydrophobicContact CB-CD2 3.88Å; M14-L59 HydrophobicContact CB-CG 4.32Å; W16-L59 HydrophobicContact CD2-CD2 4.28Å; W16-L59 HydrophobicContact CG-CD2 4.27Å; W16-L59 HydrophobicContact CZ2-CD2 4.17Å; W16-L59 HydrophobicContact CZ2-CG 4.28Å; W16-L59 VanDerWaalsContact NE1-CG 3.34Å; I31-L59 HydrophobicContact CG2-CD1 3.52Å; I50-L59 HydrophobicContact CG2-CD1 4.03Å; R52-L59 HydrophobicContact CB-CD1 4.15Å; L59-C76 HydrophobicContact CD2-CB 4.06Å
60Y98.6Very high96.2Very high74 Ų7465.2 Ų65.229%0.2934%0.335SS..EExtended strand (participates in β ladder)trans-122.7146179.5-58-89.1000110.7W16 S51 D53 T58W16-Y60 PolarHBondContact NE1-O 2.8Å; W16-Y60 VanDerWaalsContact NE1-O 3.13Å; S51-Y60 PolarHBondContact N-O 3.4Å; S51-Y60 PolarHBondContact O-N 2.92Å; D53-Y60 HydrophobicContact CB-CE2 3.86Å; T58-Y60 HydrophobicContact CG2-CD1 4.35Å; T58-Y60 HydrophobicContact CG2-CD2 4.28Å; T58-Y60 HydrophobicContact CG2-CE1 3.73Å; T58-Y60 HydrophobicContact CG2-CE2 3.67Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.49Å
61L98.3Very high96.2Very high24 Ų2466.6 Ų66.613%0.12634%0.344CS..EExtended strand (participates in β ladder)trans-127.2105168.6-170.367.7000106.1W16 I28 F48 I50 M63 Y74W16-L61 HydrophobicContact CB-CD1 4.21Å; W16-L61 HydrophobicContact CB-CD2 4.39Å; W16-L61 HydrophobicContact CD2-CB 3.85Å; W16-L61 HydrophobicContact CD2-CD1 4.44Å; W16-L61 HydrophobicContact CD2-CD2 4.02Å; W16-L61 HydrophobicContact CD2-CG 4.34Å; W16-L61 HydrophobicContact CE3-CB 4.45Å; W16-L61 HydrophobicContact CE3-CD2 4.17Å; W16-L61 HydrophobicContact CG-CB 4.14Å; W16-L61 HydrophobicContact CG-CD1 3.88Å; W16-L61 HydrophobicContact CG-CD2 4.11Å; W16-L61 HydrophobicContact CG-CG 4.28Å; W16-L61 HydrophobicContact CZ2-CB 3.94Å; I28-L61 HydrophobicContact CD1-CD2 4.06Å; I28-L61 HydrophobicContact CG2-CD1 4.38Å; F48-L61 HydrophobicContact CB-CD1 3.8Å; F48-L61 HydrophobicContact CD1-CD1 4.46Å; F48-L61 HydrophobicContact CD1-CD2 4.35Å; F48-L61 HydrophobicContact CD1-CG 4.32Å; F48-L61 HydrophobicContact CG-CD1 4.28Å; I50-L61 HydrophobicContact CG1-CD1 3.75Å; L61-M63 HydrophobicContact CD2-CG 4.22Å; L61-M63 HydrophobicContact CD2-SD 4.47Å; L61-M63 HydrophobicContact CG-CG 4.12Å; L61-Y74 HydrophobicContact CD2-CD1 3.7Å; L61-Y74 HydrophobicContact CD2-CE1 4.01Å
62Q97.8Very high96.2Very high118 Ų11864.2 Ų64.255%0.55133%0.327SS*.EExtended strand (participates in β ladder)trans-84.4126.1169.3175.9176.6-1300107.9F48 I49F48-Q62 WeakPolarHBondContact CA-O 3.49Å; I49-Q62 HydrophobicContact CB-CB 4.21Å; I49-Q62 PolarHBondContact N-O 3.12Å; I49-Q62 PolarHBondContact O-N 3.04Å
63M95.4Very high96.2Very high61 Ų6166 Ų6630%0.334%0.338SS..EExtended strand (participates in β ladder)trans-109.3122.4-176.1-52173.883.900108.2F48 L61 V66 Y74 V93F48-M63 HydrophobicContact CD1-CB 3.94Å; F48-M63 HydrophobicContact CD1-CE 4.25Å; F48-M63 HydrophobicContact CD1-CG 3.7Å; F48-M63 HydrophobicContact CE1-CB 3.89Å; F48-M63 HydrophobicContact CE1-CE 3.42Å; F48-M63 VanDerWaalsContact CE1-CE 3.42Å; F48-M63 HydrophobicContact CE1-CG 3.75Å; F48-M63 HydrophobicContact CE1-SD 4.43Å; F48-M63 HydrophobicContact CZ-CE 4.11Å; L61-M63 HydrophobicContact CD2-CG 4.22Å; L61-M63 HydrophobicContact CD2-SD 4.47Å; L61-M63 HydrophobicContact CG-CG 4.12Å; M63-V66 HydrophobicContact CB-CG1 3.74Å; M63-V66 HydrophobicContact CE-CG1 4.32Å; M63-Y74 HydrophobicContact CE-CD1 4.04Å; M63-Y74 HydrophobicContact CE-CD2 4.29Å; M63-Y74 HydrophobicContact CE-CE1 3.36Å; M63-Y74 HydrophobicContact CE-CE2 3.67Å; M63-Y74 HydrophobicContact CE-CG 4.46Å; M63-Y74 VanDerWaalsContact CE-OH 3.24Å; M63-Y74 WeakPolarHBondContact CE-OH 3.23Å; M63-V93 HydrophobicContact CE-CG1 4.37Å
64S91.4Very high96.2Very high37 Ų3764.3 Ų64.326%0.25933%0.328SS..  trans-129.2145-178.368.40000109.5K47 V66K47-S64 CarbonylContact C-O 3.51Å; K47-S64 VanDerWaalsContact CA-O 3.29Å; K47-S64 WeakPolarHBondContact CA-O 3.4Å; K47-S64 WeakPolarHBondContact O-CA 3.39Å; K47-S64 PolarHBondContact O-N 2.98Å; K47-S64 PolarHBondContact O-OG 3.14Å; S64-V66 PolarHBondContact O-N 2.98Å; S64-V66 VanDerWaalsContact O-N 3.13Å
65K89Confident96.2Very high168 Ų16863.3 Ų63.373%0.7332%0.32SS*.SBendtrans54.932.5179.6-52175.2-177.4171.50113.6
66V93.4Very high96.3Very high54 Ų5459 Ų5933%0.32728%0.284SS..  trans-65.2146.2175.6-67.90000110.7F48 M63 S64 D70 V95F48-V66 HydrophobicContact CE1-CG1 4.04Å; M63-V66 HydrophobicContact CB-CG1 3.74Å; M63-V66 HydrophobicContact CE-CG1 4.32Å; S64-V66 PolarHBondContact O-N 2.98Å; S64-V66 VanDerWaalsContact O-N 3.13Å; V66-D70 WeakPolarHBondContact CA-OD2 3.29Å; V66-D70 HydrophobicContact CB-CB 4.36Å; V66-D70 HydrophobicContact CG1-CB 4.49Å; V66-V95 HydrophobicContact CB-CG2 4.24Å; V66-V95 HydrophobicContact CG2-CG1 4.28Å; V66-V95 HydrophobicContact CG2-CG2 4.1Å
67R94.3Very high96.2Very high152 Ų15252.8 Ų52.857%0.57426%0.257SS*.  trans-124.4172.1177.3-58.3-178.8-171.2-178-1109.7E69 D70 V95R67-E69 PolarHBondContact O-N 2.85Å; R67-E69 VanDerWaalsContact O-N 3.11Å; R67-D70 PolarHBondContact N-OD2 2.8Å; R67-D70 WeakPolarHBondContact O-CB 3.27Å; R67-D70 PolarHBondContact O-N 3.21Å; R67-V95 VanDerWaalsContact C-CG1 3.5Å; R67-V95 WeakPolarHBondContact O-CB 3.46Å; R67-V95 WeakPolarHBondContact O-CG1 3.28Å
68S95.1Very high96.1Very high63 Ų6349.8 Ų49.844%0.44124%0.241SC..G310 helixtrans-52.8-34.3176.453.90000113.1D70 T71 V95S68-D70 PolarHBondContact O-N 3.34Å; S68-T71 WeakPolarHBondContact O-CB 3.49Å; S68-T71 PolarHBondContact O-N 3.08Å; S68-T71 VanDerWaalsContact O-N 3.1Å; S68-T71 PolarHBondContact O-OG1 2.84Å; S68-V95 WeakPolarHBondContact CA-O 3.24Å
69E93.3Very high95.6Very high130 Ų13050.4 Ų50.461%0.60724%0.244SC*.G310 helixtrans-58.4-24.2174.3-50.3170.3-113.200114R67 T71R67-E69 PolarHBondContact O-N 2.85Å; R67-E69 VanDerWaalsContact O-N 3.11Å; E69-T71 VanDerWaalsContact C-N 3.28Å
70D95.3Very high94.7Very high1 Ų155.5 Ų55.51%0.00526%0.264CS..G310 helixtrans-885.1-179.5-58.2-57.1000112.2R18 K47 V66 R67 S68 A72 Y74R18-D70 IonicContact CZ-OD1 3.71Å; R18-D70 IonicContact NH1-OD1 2.76Å; R18-D70 PolarHBondContact NH1-OD1 3.21Å; K47-D70 VanDerWaalsContact NZ-CG 3.26Å; K47-D70 IonicContact NZ-OD1 2.74Å; K47-D70 PolarHBondContact NZ-OD1 3.02Å; K47-D70 IonicContact NZ-OD2 2.8Å; K47-D70 PolarHBondContact NZ-OD2 3.03Å; V66-D70 WeakPolarHBondContact CA-OD2 3.29Å; V66-D70 HydrophobicContact CB-CB 4.36Å; V66-D70 HydrophobicContact CG1-CB 4.49Å; R67-D70 PolarHBondContact N-OD2 2.8Å; R67-D70 WeakPolarHBondContact O-CB 3.27Å; R67-D70 PolarHBondContact O-N 3.21Å; S68-D70 PolarHBondContact O-N 3.34Å; D70-A72 PolarHBondContact O-N 2.8Å; D70-Y74 PolarHBondContact O-OH 2.73Å
71T97.4Very high93.3Very high31 Ų3159.9 Ų59.919%0.1929%0.292CS..  trans-63.2115.6171.2-66.10000110.5P21 S68 E69 V93 T94 V95P21-T71 WeakPolarHBondContact CD-O 3.45Å; S68-T71 WeakPolarHBondContact O-CB 3.49Å; S68-T71 PolarHBondContact O-N 3.08Å; S68-T71 VanDerWaalsContact O-N 3.1Å; S68-T71 PolarHBondContact O-OG1 2.84Å; E69-T71 VanDerWaalsContact C-N 3.28Å; T71-V93 WeakPolarHBondContact CA-O 3.46Å; T71-T94 HydrophobicContact CG2-CG2 4.34Å; T71-V95 PolarHBondContact OG1-N 3.04Å; T71-V95 PolarHBondContact OG1-O 3.4Å
72A97.8Very high92Very high0 Ų065.9 Ų65.90%033%0.329CS..EExtended strand (participates in β ladder)trans-163.1165.6-175.100000112R18 Q19 A20 D70 Y74 V93R18-A72 HydrophobicContact CB-CB 3.97Å; R18-A72 HydrophobicContact CG-CB 4.47Å; Q19-A72 WeakPolarHBondContact O-CA 3.12Å; Q19-A72 WeakPolarHBondContact O-CB 3.46Å; A20-A72 HydrophobicContact CB-CB 4.4Å; D70-A72 PolarHBondContact O-N 2.8Å; A72-Y74 HydrophobicContact CB-CD2 4.22Å; A72-Y74 HydrophobicContact CB-CE2 3.72Å; A72-Y74 VanDerWaalsContact O-CD2 3.29Å; A72-Y74 WeakPolarHBondContact O-CD2 3.18Å; A72-V93 PolarHBondContact N-O 2.74Å; A72-V93 VanDerWaalsContact N-O 3.14Å; A72-V93 PolarHBondContact O-N 3.13Å
73L98.3Very high90.8Very high62 Ų6262 Ų6233%0.32532%0.321SS..EExtended strand (participates in β ladder)trans-77.7130.4158.6-77.9160.8000109R18 Q19 Y75 T91 L92R18-L73 CarbonylContact C-O 3.59Å; R18-L73 WeakPolarHBondContact CA-O 2.97Å; Q19-L73 PolarHBondContact N-O 2.86Å; Q19-L73 PolarHBondContact O-N 3.11Å; L73-Y75 HydrophobicContact CB-CD2 4.49Å; L73-Y75 HydrophobicContact CB-CE2 3.54Å; L73-Y75 WeakPolarHBondContact CB-OH 3.29Å; L73-Y75 VanDerWaalsContact CD1-OH 3.3Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.37Å; L73-T91 CarbonylContact C-O 3.47Å; L73-T91 WeakPolarHBondContact CA-O 3.22Å; L73-L92 HydrophobicContact CD2-CB 3.93Å; L73-L92 HydrophobicContact CG-CD1 4.46Å
74Y98.4Very high90Very high7 Ų762.9 Ų62.93%0.02732%0.323CS..EExtended strand (participates in β ladder)trans-112.1126.6179.2-74.6-99.8000110.5R18 I28 F48 L61 M63 D70 A72 G90 T91 V93R18-Y74 HydrophobicContact CB-CD1 3.91Å; R18-Y74 HydrophobicContact CB-CE1 3.85Å; R18-Y74 HydrophobicContact CB-CE2 4.48Å; R18-Y74 HydrophobicContact CB-CG 4.28Å; R18-Y74 HydrophobicContact CG-CE1 4.49Å; I28-Y74 HydrophobicContact CD1-CD1 3.64Å; I28-Y74 HydrophobicContact CD1-CE1 3.51Å; F48-Y74 HydrophobicContact CE1-CE1 4.39Å; F48-Y74 HydrophobicContact CZ-CE1 4.25Å; L61-Y74 HydrophobicContact CD2-CD1 3.7Å; L61-Y74 HydrophobicContact CD2-CE1 4.01Å; M63-Y74 HydrophobicContact CE-CD1 4.04Å; M63-Y74 HydrophobicContact CE-CD2 4.29Å; M63-Y74 HydrophobicContact CE-CE1 3.36Å; M63-Y74 HydrophobicContact CE-CE2 3.67Å; M63-Y74 HydrophobicContact CE-CG 4.46Å; M63-Y74 VanDerWaalsContact CE-OH 3.24Å; M63-Y74 WeakPolarHBondContact CE-OH 3.23Å; D70-Y74 PolarHBondContact O-OH 2.73Å; A72-Y74 HydrophobicContact CB-CD2 4.22Å; A72-Y74 HydrophobicContact CB-CE2 3.72Å; A72-Y74 VanDerWaalsContact O-CD2 3.29Å; A72-Y74 WeakPolarHBondContact O-CD2 3.18Å; Y74-G90 CarbonylContact O-C 3.59Å; Y74-G90 VanDerWaalsContact O-CA 3.23Å; Y74-G90 WeakPolarHBondContact O-CA 3.28Å; Y74-T91 PolarHBondContact N-O 3.15Å; Y74-T91 PolarHBondContact O-N 3.09Å; Y74-V93 HydrophobicContact CD2-CB 3.86Å; Y74-V93 HydrophobicContact CD2-CG2 3.69Å; Y74-V93 HydrophobicContact CE2-CB 3.86Å; Y74-V93 HydrophobicContact CE2-CG2 4.14Å; Y74-V93 HydrophobicContact CG-CG2 4.42Å
75Y98.3Very high89.5Confident37 Ų3763.5 Ų63.515%0.14533%0.331CS..EExtended strand (participates in β ladder)trans-120.1138.2-176.1-53.9-91.9000109.9W16 V17 Q19 L25 L73 W87 G88 G90W16-Y75 CarbonylContact C-O 3.55Å; W16-Y75 WeakPolarHBondContact CA-O 3.37Å; W16-Y75 VanDerWaalsContact CE3-C 3.49Å; V17-Y75 PolarHBondContact N-O 3.39Å; V17-Y75 PolarHBondContact O-N 3.42Å; Q19-Y75 HydrophobicContact CB-CE2 4.03Å; L25-Y75 HydrophobicContact CD2-CD2 4.45Å; L25-Y75 HydrophobicContact CD2-CE2 4.27Å; L73-Y75 HydrophobicContact CB-CD2 4.49Å; L73-Y75 HydrophobicContact CB-CE2 3.54Å; L73-Y75 WeakPolarHBondContact CB-OH 3.29Å; L73-Y75 VanDerWaalsContact CD1-OH 3.3Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.37Å; Y75-W87 HydrophobicContact CG-CE3 4.3Å; Y75-W87 HydrophobicContact CG-CZ3 4.35Å; Y75-G88 WeakPolarHBondContact CD1-O 3.31Å; Y75-G90 VanDerWaalsContact CE1-CA 3.49Å
76C97.4Very high89.5Confident9 Ų960.8 Ų60.86%0.06132%0.317CS..EExtended strand (participates in β ladder)trans-91.2147.2160.153.90000109.2C2 S15 W16 L59 G88C2-C76 HydrophobicContact CB-CB 3.4Å; C2-C76 WeakPolarHBondContact CB-SG 3.09Å; C2-C76 WeakPolarHBondContact SG-CB 3.38Å; C2-C76 CovalentContact SG-SG 2.01Å; C2-C76 PolarHBondContact SG-SG 3.13Å; S15-C76 CarbonylContact O-C 3.39Å; S15-C76 VanDerWaalsContact O-CA 3.31Å; S15-C76 WeakPolarHBondContact O-CA 3.42Å; W16-C76 HydrophobicContact CE3-CB 4.33Å; W16-C76 HydrophobicContact CH2-CB 4.12Å; W16-C76 HydrophobicContact CZ2-CB 4.34Å; W16-C76 HydrophobicContact CZ3-CB 4.12Å; L59-C76 HydrophobicContact CD2-CB 4.06Å; C76-G88 PolarHBondContact O-N 3.17Å
77A96.6Very high89.6Confident1 Ų163 Ų631%0.00832%0.319CS..EExtended strand (participates in β ladder)trans-142.7148.3174.100000111.3M14 S15 F84 Y86 W87M14-A77 WeakPolarHBondContact CA-O 3.43Å; M14-A77 WeakPolarHBondContact CE-O 3.32Å; S15-A77 PolarHBondContact N-O 2.95Å; S15-A77 PolarHBondContact O-N 3.48Å; A77-F84 HydrophobicContact CB-CB 4.21Å; A77-F84 HydrophobicContact CB-CD1 3.65Å; A77-F84 HydrophobicContact CB-CE1 4.25Å; A77-F84 HydrophobicContact CB-CG 3.99Å; A77-Y86 CarbonylContact C-O 3.4Å; A77-Y86 WeakPolarHBondContact CA-O 3.13Å; A77-W87 HydrophobicContact CB-CD2 3.87Å; A77-W87 HydrophobicContact CB-CE3 3.98Å; A77-W87 HydrophobicContact CB-CG 4.35Å; A77-W87 HydrophobicContact CB-CH2 4.48Å; A77-W87 HydrophobicContact CB-CZ2 4.39Å; A77-W87 HydrophobicContact CB-CZ3 4.29Å
78S94.8Very high89.7Confident1 Ų156.9 Ų56.91%0.00730%0.304CS..EExtended strand (participates in β ladder)trans-92138.9171.168.90000110.4F84 A85 Y86S78-F84 VanDerWaalsContact O-CA 3.28Å; S78-F84 WeakPolarHBondContact O-CA 3.35Å; S78-A85 PolarHBondContact O-N 3.18Å; S78-Y86 PolarHBondContact N-O 2.96Å; S78-Y86 WeakPolarHBondContact OG-CB 3.2Å; S78-Y86 WeakPolarHBondContact OG-CD2 3.19Å; S78-Y86 PolarHBondContact OG-N 2.95Å; S78-Y86 VanDerWaalsContact OG-N 3.1Å
79N88.5Confident89.7Confident29 Ų2962.9 Ų62.916%0.15533%0.325CS..EExtended strand (participates in β ladder)trans-95.7139.1175.4-50.223.4000110.5Y12 W13 S15 E30 F84Y12-N79 WeakPolarHBondContact CD1-O 3.21Å; W13-N79 HydrophobicContact CB-CB 3.91Å; W13-N79 PolarHBondContact O-N 3.22Å; S15-N79 WeakPolarHBondContact CB-OD1 3.38Å; S15-N79 PolarHBondContact OG-ND2 2.8Å; S15-N79 PolarHBondContact OG-OD1 2.62Å; E30-N79 PolarHBondContact OE2-ND2 2.74Å; N79-F84 VanDerWaalsContact OD1-CE1 3.28Å; N79-F84 WeakPolarHBondContact OD1-CE1 3.44Å
80W78.8Confident89.9Confident107 Ų10757.9 Ų57.941%0.40531%0.308SS..EExtended strand (participates in β ladder)trans-127.8172.1172.6-83.271.8000109.7Y12 V82 G83 A85 Y86Y12-W80 AromaticContact CD1-CD1 3.83Å; Y12-W80 HydrophobicContact CD1-CD2 4.09Å; Y12-W80 AromaticContact CD1-CE2 3.83Å; Y12-W80 HydrophobicContact CD1-CG 4.19Å; Y12-W80 HydrophobicContact CD1-CZ2 4.39Å; Y12-W80 AromaticContact CD1-NE1 3.62Å; Y12-W80 AromaticContact CE1-CD1 3.94Å; Y12-W80 AromaticContact CE1-CD2 3.46Å; Y12-W80 HydrophobicContact CE1-CD2 3.46Å; Y12-W80 VanDerWaalsContact CE1-CD2 3.46Å; Y12-W80 AromaticContact CE1-CE2 3.14Å; Y12-W80 AromaticContact CE1-CE3 3.86Å; Y12-W80 HydrophobicContact CE1-CE3 3.86Å; Y12-W80 HydrophobicContact CE1-CG 4.05Å; Y12-W80 AromaticContact CE1-CH2 3.81Å; Y12-W80 HydrophobicContact CE1-CH2 3.81Å; Y12-W80 AromaticContact CE1-CZ2 3.38Å; Y12-W80 HydrophobicContact CE1-CZ2 3.38Å; Y12-W80 HydrophobicContact CE1-CZ3 4.01Å; Y12-W80 AromaticContact CE1-NE1 3.44Å; Y12-W80 HydrophobicContact CE2-CZ2 4.11Å; Y12-W80 AromaticContact CZ-CE2 3.5Å; Y12-W80 AromaticContact CZ-CH2 3.63Å; Y12-W80 AromaticContact CZ-CZ2 3.2Å; Y12-W80 AromaticContact CZ-NE1 3.92Å; Y12-W80 WeakPolarHBondContact OH-CH2 2.93Å; Y12-W80 WeakPolarHBondContact OH-CZ2 2.9Å; W80-V82 PolarHBondContact O-N 3.03Å; W80-G83 PolarHBondContact N-O 3.21Å; W80-G83 PolarHBondContact O-N 3.27Å; W80-A85 HydrophobicContact CB-CB 4.19Å; W80-A85 HydrophobicContact CD2-CB 4.4Å; W80-A85 HydrophobicContact CG-CB 3.66Å; W80-Y86 AromaticContact NE1-CE2 3.89Å
81D70.2Confident90Very high165 Ų16562.1 Ų62.188%0.88233%0.334SS*.THydrogen-bonded Turntrans-52.4-21.2-172.4-68.1-29.1000115.6
82V70Confident90Very high151 Ų15165.8 Ų65.892%0.91535%0.352SS*.THydrogen-bonded Turntrans-123.58-178.5-64.30000114.5W80W80-V82 PolarHBondContact O-N 3.03Å
83G73.8Confident90Very high37 Ų3767.7 Ų67.738%0.38136%0.363SS..EExtended strand (participates in β ladder)trans142.1-156.8178.900000114.5W80W80-G83 PolarHBondContact N-O 3.21Å; W80-G83 PolarHBondContact O-N 3.27Å
84F77.6Confident90Very high78 Ų7869.6 Ų69.634%0.34238%0.378SS..EExtended strand (participates in β ladder)trans-83.9119.2178.2-60-61.9000111.5S15 V17 W27 A77 S78 N79 W87S15-F84 WeakPolarHBondContact OG-CE1 3.34Å; V17-F84 HydrophobicContact CG2-CZ 4.44Å; W27-F84 AromaticContact CD1-CZ 3.91Å; A77-F84 HydrophobicContact CB-CB 4.21Å; A77-F84 HydrophobicContact CB-CD1 3.65Å; A77-F84 HydrophobicContact CB-CE1 4.25Å; A77-F84 HydrophobicContact CB-CG 3.99Å; S78-F84 VanDerWaalsContact O-CA 3.28Å; S78-F84 WeakPolarHBondContact O-CA 3.35Å; N79-F84 VanDerWaalsContact OD1-CE1 3.28Å; N79-F84 WeakPolarHBondContact OD1-CE1 3.44Å; F84-W87 HydrophobicContact CB-CZ2 3.9Å; F84-W87 VanDerWaalsContact CB-NE1 3.31Å; F84-W87 HydrophobicContact CD2-CH2 4.09Å; F84-W87 AromaticContact CD2-CZ2 3.37Å; F84-W87 HydrophobicContact CD2-CZ2 3.37Å; F84-W87 HydrophobicContact CE2-CH2 4.37Å; F84-W87 HydrophobicContact CE2-CZ2 4.08Å; F84-W87 AromaticContact CG-CZ2 3.79Å; F84-W87 HydrophobicContact CG-CZ2 3.79Å
85A81.3Confident89.8Confident51 Ų5170.6 Ų70.642%0.42139%0.385SS..EExtended strand (participates in β ladder)trans-88-46.4179.500000113.1S78 W80S78-A85 PolarHBondContact O-N 3.18Å; W80-A85 HydrophobicContact CB-CB 4.19Å; W80-A85 HydrophobicContact CD2-CB 4.4Å; W80-A85 HydrophobicContact CG-CB 3.66Å
86Y89.9Confident89.5Confident111 Ų11173.8 Ų73.844%0.43541%0.412SS..EExtended strand (participates in β ladder)trans-119.1135.5-177.9-57.7-71.7000110.4F7 A77 S78 W80F7-Y86 HydrophobicContact CB-CD2 4.47Å; F7-Y86 HydrophobicContact CB-CE2 3.97Å; F7-Y86 AromaticContact CD1-CD2 3.64Å; F7-Y86 HydrophobicContact CD1-CD2 3.64Å; F7-Y86 AromaticContact CD1-CE2 3.95Å; F7-Y86 HydrophobicContact CD1-CE2 3.95Å; F7-Y86 HydrophobicContact CD1-CG 4.14Å; F7-Y86 AromaticContact CE1-CD2 3.93Å; F7-Y86 HydrophobicContact CE1-CD2 3.93Å; F7-Y86 HydrophobicContact CE1-CG 4.19Å; F7-Y86 AromaticContact CG-CD2 3.99Å; F7-Y86 HydrophobicContact CG-CD2 3.99Å; F7-Y86 HydrophobicContact CG-CE2 4Å; F7-Y86 HydrophobicContact CZ-CD2 4.48Å; A77-Y86 CarbonylContact C-O 3.4Å; A77-Y86 WeakPolarHBondContact CA-O 3.13Å; S78-Y86 PolarHBondContact N-O 2.96Å; S78-Y86 WeakPolarHBondContact OG-CB 3.2Å; S78-Y86 WeakPolarHBondContact OG-CD2 3.19Å; S78-Y86 PolarHBondContact OG-N 2.95Å; S78-Y86 VanDerWaalsContact OG-N 3.1Å; W80-Y86 AromaticContact NE1-CE2 3.89Å
87W94.9Very high88.7Confident100 Ų10080.8 Ų80.838%0.37947%0.471SS..EExtended strand (participates in β ladder)trans-120.4138.3176.6-73.581.3000110.6V17 L25 Y75 A77 F84V17-W87 HydrophobicContact CB-CH2 4.06Å; V17-W87 HydrophobicContact CB-CZ3 3.8Å; V17-W87 HydrophobicContact CG1-CH2 4Å; V17-W87 HydrophobicContact CG1-CZ3 4Å; V17-W87 HydrophobicContact CG2-CH2 3.76Å; V17-W87 HydrophobicContact CG2-CZ3 3.89Å; L25-W87 HydrophobicContact CD1-CH2 3.99Å; Y75-W87 HydrophobicContact CG-CE3 4.3Å; Y75-W87 HydrophobicContact CG-CZ3 4.35Å; A77-W87 HydrophobicContact CB-CD2 3.87Å; A77-W87 HydrophobicContact CB-CE3 3.98Å; A77-W87 HydrophobicContact CB-CG 4.35Å; A77-W87 HydrophobicContact CB-CH2 4.48Å; A77-W87 HydrophobicContact CB-CZ2 4.39Å; A77-W87 HydrophobicContact CB-CZ3 4.29Å; F84-W87 HydrophobicContact CB-CZ2 3.9Å; F84-W87 VanDerWaalsContact CB-NE1 3.31Å; F84-W87 HydrophobicContact CD2-CH2 4.09Å; F84-W87 AromaticContact CD2-CZ2 3.37Å; F84-W87 HydrophobicContact CD2-CZ2 3.37Å; F84-W87 HydrophobicContact CE2-CH2 4.37Å; F84-W87 HydrophobicContact CE2-CZ2 4.08Å; F84-W87 AromaticContact CG-CZ2 3.79Å; F84-W87 HydrophobicContact CG-CZ2 3.79Å
88G95.8Very high88.3Confident24 Ų2484.8 Ų84.825%0.24749%0.494CS..  trans-69.8160.2164.600000111.4Y75 C76 G90Y75-G88 WeakPolarHBondContact CD1-O 3.31Å; C76-G88 PolarHBondContact O-N 3.17Å; G88-G90 PolarHBondContact O-N 3.02Å; G88-G90 VanDerWaalsContact O-N 3.15Å
89Q95.6Very high87.9Confident188 Ų18889.2 Ų89.288%0.87952%0.52SS*.  trans-66-14.8179.1-64.9-63-45.200113.8
90G96.7Very high87.9Confident25 Ų2592.6 Ų92.626%0.25854%0.54SS..  trans89.3158.7-175.900000113Y74 Y75 G88Y74-G90 CarbonylContact O-C 3.59Å; Y74-G90 VanDerWaalsContact O-CA 3.23Å; Y74-G90 WeakPolarHBondContact O-CA 3.28Å; Y75-G90 VanDerWaalsContact CE1-CA 3.49Å; G88-G90 PolarHBondContact O-N 3.02Å; G88-G90 VanDerWaalsContact O-N 3.15Å
91T98.1Very high88.5Confident90 Ų9091.7 Ų91.755%0.55255%0.548SS*.EExtended strand (participates in β ladder)trans-138.2128.2173.3-89.60000109L73 Y74 V93L73-T91 CarbonylContact C-O 3.47Å; L73-T91 WeakPolarHBondContact CA-O 3.22Å; Y74-T91 PolarHBondContact N-O 3.15Å; Y74-T91 PolarHBondContact O-N 3.09Å; T91-V93 HydrophobicContact CG2-CG2 4.13Å; T91-V93 PolarHBondContact O-N 2.59Å
92L97.8Very high89.6Confident109 Ų10987.1 Ų87.157%0.57153%0.527SS*.EExtended strand (participates in β ladder)trans-75.9120.8175.4178.763000108.6L73L73-L92 HydrophobicContact CD2-CB 3.93Å; L73-L92 HydrophobicContact CG-CD1 4.46Å
93V97.5Very high90.9Very high39 Ų3982.9 Ų82.924%0.23650%0.501CS..EExtended strand (participates in β ladder)trans-108.6121.2168.6-178.40000107.2M63 T71 A72 Y74 T91 V95M63-V93 HydrophobicContact CE-CG1 4.37Å; T71-V93 WeakPolarHBondContact CA-O 3.46Å; A72-V93 PolarHBondContact N-O 2.74Å; A72-V93 VanDerWaalsContact N-O 3.14Å; A72-V93 PolarHBondContact O-N 3.13Å; Y74-V93 HydrophobicContact CD2-CB 3.86Å; Y74-V93 HydrophobicContact CD2-CG2 3.69Å; Y74-V93 HydrophobicContact CE2-CB 3.86Å; Y74-V93 HydrophobicContact CE2-CG2 4.14Å; Y74-V93 HydrophobicContact CG-CG2 4.42Å; T91-V93 HydrophobicContact CG2-CG2 4.13Å; T91-V93 PolarHBondContact O-N 2.59Å; V93-V95 HydrophobicContact CG1-CG2 4.33Å
94T97.1Very high92.1Very high102 Ų10286.1 Ų86.163%0.62651%0.51SS*.  trans-109128.3176.3-56.20000109.2T71T71-T94 HydrophobicContact CG2-CG2 4.34Å
95V94.9Very high93.2Very high29 Ų2986.8 Ų86.818%0.17652%0.523CS..  trans-118.7117.5176.4-174.10000107.4V66 R67 S68 T71 V93V66-V95 HydrophobicContact CB-CG2 4.24Å; V66-V95 HydrophobicContact CG2-CG1 4.28Å; V66-V95 HydrophobicContact CG2-CG2 4.1Å; R67-V95 VanDerWaalsContact C-CG1 3.5Å; R67-V95 WeakPolarHBondContact O-CB 3.46Å; R67-V95 WeakPolarHBondContact O-CG1 3.28Å; S68-V95 WeakPolarHBondContact CA-O 3.24Å; T71-V95 PolarHBondContact OG1-N 3.04Å; T71-V95 PolarHBondContact OG1-O 3.4Å; V93-V95 HydrophobicContact CG1-CG2 4.33Å
96S91.8Very high94.2Very high103 Ų10389.8 Ų89.872%0.7253%0.531SS*.  trans-87.5159.8172.856.90000110.9
97A80.8Confident94.6Very high157 Ų15787.8 Ų87.8100%1.29854%0.54SS*.  trans-690173.100000112.3

Retrieved 97 of 97 residues in 22.2 ms (Link to these results)

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