X5J503_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J503, Species MOUSE (Mus musculus, Mouse), Gene Ighv4-2, Length 98 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
1S97.2Very high94.5Very high109 Ų10970.5 Ų70.576%0.76245%0.454SS*.  0168.1049.50000109.1L59S1-L59 CarbonylContact C-O 3.59Å; S1-L59 WeakPolarHBondContact CA-O 3.4Å
2C97.4Very high94.3Very high21 Ų2172.2 Ų72.214%0.14245%0.446CS..EExtended strand (participates in β ladder)trans-142.4115.4174.8164.40000109W16 T58 L59 C76C2-W16 HydrophobicContact CB-CH2 3.8Å; C2-W16 HydrophobicContact CB-CZ2 4.02Å; C2-T58 CarbonylContact O-C 3.54Å; C2-T58 WeakPolarHBondContact O-CA 3.34Å; C2-L59 HydrophobicContact CB-CB 4.45Å; C2-L59 PolarHBondContact N-O 3.27Å; C2-L59 PolarHBondContact O-N 2.91Å; C2-C76 HydrophobicContact CB-CB 3.38Å; C2-C76 WeakPolarHBondContact CB-SG 3.34Å; C2-C76 WeakPolarHBondContact SG-CB 3.35Å; C2-C76 CovalentContact SG-SG 2.01Å; C2-C76 PolarHBondContact SG-SG 3.17Å
3A97.4Very high94.4Very high80 Ų8073.7 Ų73.766%0.66144%0.438SS*.EExtended strand (participates in β ladder)trans-86.3128.9174.700000109.5
4A94.9Very high94.5Very high15 Ų1568.8 Ų68.812%0.12441%0.409CS..  trans-94.6147.4178.200000111.2F7 F9 N57A4-F7 HydrophobicContact CB-CE1 3.85Å; A4-F7 HydrophobicContact CB-CE2 4.43Å; A4-F7 HydrophobicContact CB-CZ 3.62Å; A4-F9 HydrophobicContact CB-CB 4.35Å; A4-F9 HydrophobicContact CB-CD2 3.45Å; A4-F9 VanDerWaalsContact CB-CD2 3.45Å; A4-F9 HydrophobicContact CB-CE2 4.1Å; A4-F9 HydrophobicContact CB-CG 4.25Å; A4-N57 WeakPolarHBondContact CB-O 3.49Å; A4-N57 PolarHBondContact N-O 2.98Å
5S93.9Very high94.6Very high104 Ų10464.5 Ų64.573%0.72738%0.384SS*.  trans-146.6160.1174.2610000110.1F7S5-F7 VanDerWaalsContact C-N 3.34Å; S5-F7 VanDerWaalsContact O-CD1 3.32Å; S5-F7 WeakPolarHBondContact O-CD1 3.45Å; S5-F7 PolarHBondContact O-N 3.3Å
6G92.1Very high94.7Very high91 Ų9161.3 Ų61.394%0.93836%0.363SS*.SBendtrans81.54.8177.700000115.7
7F90.4Very high94.8Very high47 Ų4758.2 Ų58.221%0.20634%0.344CS..SBendtrans-156.5164.2173.164.5-83000111.7A4 S5 F9 Y12 M14 R78A4-F7 HydrophobicContact CB-CE1 3.85Å; A4-F7 HydrophobicContact CB-CE2 4.43Å; A4-F7 HydrophobicContact CB-CZ 3.62Å; S5-F7 VanDerWaalsContact C-N 3.34Å; S5-F7 VanDerWaalsContact O-CD1 3.32Å; S5-F7 WeakPolarHBondContact O-CD1 3.45Å; S5-F7 PolarHBondContact O-N 3.3Å; F7-F9 HydrophobicContact CE2-CB 4.28Å; F7-F9 HydrophobicContact CE2-CD2 4.25Å; F7-F9 HydrophobicContact CZ-CD2 4.34Å; F7-F9 PolarHBondContact O-N 3.26Å; F7-Y12 AromaticContact CD2-CD2 3.69Å; F7-Y12 HydrophobicContact CD2-CD2 3.69Å; F7-Y12 HydrophobicContact CD2-CE2 4.12Å; F7-Y12 HydrophobicContact CE2-CD2 4.2Å; F7-M14 HydrophobicContact CE2-SD 4.09Å; F7-M14 HydrophobicContact CZ-CE 4.23Å; F7-M14 HydrophobicContact CZ-SD 4.04Å; F7-R78 VanDerWaalsContact CB-NH1 3.3Å; F7-R78 HydrophobicContact CE2-CG 4.07Å; F7-R78 HydrophobicContact CZ-CB 4.19Å; F7-R78 HydrophobicContact CZ-CG 4.23Å
8D92.9Very high94.9Very high78 Ų7856 Ų5642%0.41733%0.329SS..  trans-75.290.8173.1-177.6-3.5000110.3S10 R11 Y12D8-S10 PolarHBondContact O-N 2.95Å; D8-S10 VanDerWaalsContact O-N 3.12Å; D8-S10 WeakPolarHBondContact OD1-CB 3.11Å; D8-S10 PolarHBondContact OD1-N 2.8Å; D8-S10 PolarHBondContact OD1-OG 2.93Å; D8-R11 HydrophobicContact CB-CG 4.4Å; D8-R11 PolarHBondContact O-N 2.81Å; D8-R11 VanDerWaalsContact O-N 3.12Å; D8-R11 WeakPolarHBondContact OD2-CD 3.33Å; D8-R11 VanDerWaalsContact OD2-CG 3.24Å; D8-R11 WeakPolarHBondContact OD2-CG 3.31Å; D8-Y12 WeakPolarHBondContact O-CD2 3.36Å
9F94.3Very high95Very high0 Ų056.6 Ų56.60%033%0.329CS..G310 helixtrans-51.5-36.1-178.3178.7-99000112.8A4 F7 R11 Y12 M14 R52 N54 N57 L59A4-F9 HydrophobicContact CB-CB 4.35Å; A4-F9 HydrophobicContact CB-CD2 3.45Å; A4-F9 VanDerWaalsContact CB-CD2 3.45Å; A4-F9 HydrophobicContact CB-CE2 4.1Å; A4-F9 HydrophobicContact CB-CG 4.25Å; F7-F9 HydrophobicContact CE2-CB 4.28Å; F7-F9 HydrophobicContact CE2-CD2 4.25Å; F7-F9 HydrophobicContact CZ-CD2 4.34Å; F7-F9 PolarHBondContact O-N 3.26Å; F9-R11 PolarHBondContact O-N 3.45Å; F9-R11 VanDerWaalsContact O-N 3.12Å; F9-Y12 PolarHBondContact O-N 3.12Å; F9-M14 HydrophobicContact CD2-CE 4.22Å; F9-M14 HydrophobicContact CD2-CG 4.03Å; F9-M14 HydrophobicContact CD2-SD 3.98Å; F9-M14 HydrophobicContact CE2-CB 4.48Å; F9-M14 HydrophobicContact CE2-CE 3.83Å; F9-M14 HydrophobicContact CE2-CG 3.49Å; F9-M14 VanDerWaalsContact CE2-CG 3.49Å; F9-M14 HydrophobicContact CE2-SD 3.87Å; F9-M14 HydrophobicContact CZ-CG 3.99Å; F9-R52 VanDerWaalsContact CD1-NH2 3.28Å; F9-R52 HydrophobicContact CE1-CB 4.14Å; F9-R52 VanDerWaalsContact CE1-NH2 3.26Å; F9-R52 HydrophobicContact CZ-CB 4.16Å; F9-R52 PolarHBondContact O-NH2 2.93Å; F9-N54 WeakPolarHBondContact CE1-OD1 3.43Å; F9-N57 HydrophobicContact CB-CB 3.87Å; F9-N57 WeakPolarHBondContact CB-OD1 3.3Å; F9-N57 HydrophobicContact CD1-CB 4.45Å; F9-N57 HydrophobicContact CG-CB 4.16Å; F9-L59 HydrophobicContact CE2-CB 4.28Å; F9-L59 HydrophobicContact CZ-CB 4.14Å
10S94.9Very high95.1Very high45 Ų4555 Ų5532%0.31532%0.322SS..G310 helixtrans-64.8-17.2-175.777.10000113.8D8 P33D8-S10 PolarHBondContact O-N 2.95Å; D8-S10 VanDerWaalsContact O-N 3.12Å; D8-S10 WeakPolarHBondContact OD1-CB 3.11Å; D8-S10 PolarHBondContact OD1-N 2.8Å; D8-S10 PolarHBondContact OD1-OG 2.93Å; S10-P33 VanDerWaalsContact O-CB 3.27Å; S10-P33 WeakPolarHBondContact O-CB 3.29Å
11R93.5Very high95.1Very high186 Ų18657.3 Ų57.370%0.70234%0.338SS*.G310 helixtrans-97.6-8.6-176.3-66.4-172.971.11753.2115D8 F9D8-R11 HydrophobicContact CB-CG 4.4Å; D8-R11 PolarHBondContact O-N 2.81Å; D8-R11 VanDerWaalsContact O-N 3.12Å; D8-R11 WeakPolarHBondContact OD2-CD 3.33Å; D8-R11 VanDerWaalsContact OD2-CG 3.24Å; D8-R11 WeakPolarHBondContact OD2-CG 3.31Å; F9-R11 PolarHBondContact O-N 3.45Å; F9-R11 VanDerWaalsContact O-N 3.12Å
12Y93.1Very high95Very high90 Ų9056.3 Ų56.335%0.35335%0.346SS..SBendtrans-115.5149.9-173.8-62.7-84.8000112.4F7 D8 F9 R52 R78F7-Y12 AromaticContact CD2-CD2 3.69Å; F7-Y12 HydrophobicContact CD2-CD2 3.69Å; F7-Y12 HydrophobicContact CD2-CE2 4.12Å; F7-Y12 HydrophobicContact CE2-CD2 4.2Å; D8-Y12 WeakPolarHBondContact O-CD2 3.36Å; F9-Y12 PolarHBondContact O-N 3.12Å; Y12-R52 PolarHBondContact O-NH1 2.92Å; Y12-R78 HydrophobicContact CD1-CG 4.43Å; Y12-R78 HydrophobicContact CG-CG 4.13Å
13W94.6Very high94.9Very high92 Ų9262.3 Ų62.335%0.34837%0.369SS..  trans-65.1150160.7-72.270.1000109.4E30 I31 N32 T37 P79W13-E30 HydrophobicContact CE3-CB 4.24Å; W13-E30 VanDerWaalsContact CE3-CD 3.45Å; W13-E30 HydrophobicContact CE3-CG 3.46Å; W13-E30 VanDerWaalsContact CE3-CG 3.46Å; W13-E30 HydrophobicContact CZ3-CG 3.6Å; W13-I31 WeakPolarHBondContact CA-O 3.33Å; W13-N32 HydrophobicContact CD2-CB 3.68Å; W13-N32 VanDerWaalsContact CE2-CB 3.4Å; W13-N32 HydrophobicContact CE3-CB 3.85Å; W13-N32 HydrophobicContact CG-CB 4.45Å; W13-N32 HydrophobicContact CH2-CB 3.63Å; W13-N32 HydrophobicContact CZ2-CB 3.4Å; W13-N32 HydrophobicContact CZ3-CB 3.83Å; W13-T37 HydrophobicContact CH2-CG2 3.97Å; W13-P79 VanDerWaalsContact O-CD 3.3Å; W13-P79 WeakPolarHBondContact O-CD 3.41Å
14M95.9Very high94.7Very high5 Ų561.1 Ų61.13%0.02537%0.365CS..EExtended strand (participates in β ladder)trans-137135.2-178.7-66.1-60.7-58.400109.5F7 F9 E30 I31 L59 R78F7-M14 HydrophobicContact CE2-SD 4.09Å; F7-M14 HydrophobicContact CZ-CE 4.23Å; F7-M14 HydrophobicContact CZ-SD 4.04Å; F9-M14 HydrophobicContact CD2-CE 4.22Å; F9-M14 HydrophobicContact CD2-CG 4.03Å; F9-M14 HydrophobicContact CD2-SD 3.98Å; F9-M14 HydrophobicContact CE2-CB 4.48Å; F9-M14 HydrophobicContact CE2-CE 3.83Å; F9-M14 HydrophobicContact CE2-CG 3.49Å; F9-M14 VanDerWaalsContact CE2-CG 3.49Å; F9-M14 HydrophobicContact CE2-SD 3.87Å; F9-M14 HydrophobicContact CZ-CG 3.99Å; M14-E30 CarbonylContact O-C 3.44Å; M14-E30 WeakPolarHBondContact O-CA 3.19Å; M14-E30 WeakPolarHBondContact O-CB 3.2Å; M14-I31 HydrophobicContact CB-CG2 4.37Å; M14-I31 PolarHBondContact N-O 3.18Å; M14-I31 VanDerWaalsContact N-O 3.08Å; M14-I31 PolarHBondContact O-N 2.88Å; M14-L59 HydrophobicContact CB-CD1 3.75Å; M14-L59 HydrophobicContact CB-CD2 3.92Å; M14-L59 HydrophobicContact CB-CG 4.35Å; M14-R78 HydrophobicContact CE-CB 4.21Å; M14-R78 HydrophobicContact SD-CB 3.83Å; M14-R78 HydrophobicContact SD-CG 3.91Å
15S95.9Very high94.6Very high5 Ų565.1 Ų65.14%0.03538%0.384CS..EExtended strand (participates in β ladder)trans-119152-171.4-58.10000111.7G29 E30 C76 A77 P79S15-G29 CarbonylContact C-O 3.6Å; S15-G29 VanDerWaalsContact CA-O 3.32Å; S15-G29 WeakPolarHBondContact CA-O 3.28Å; S15-E30 VanDerWaalsContact OG-CB 3.28Å; S15-E30 WeakPolarHBondContact OG-CB 3.36Å; S15-C76 CarbonylContact O-C 3.6Å; S15-C76 VanDerWaalsContact O-CA 3.31Å; S15-C76 WeakPolarHBondContact O-CA 3.2Å; S15-A77 PolarHBondContact N-O 3.1Å; S15-A77 PolarHBondContact O-N 2.8Å; S15-P79 WeakPolarHBondContact OG-CG 3.33Å
16W97.3Very high94.7Very high13 Ų1363.4 Ų63.45%0.04936%0.364CS..EExtended strand (participates in β ladder)trans-110.3138.1162.4-77.3101.4000110.1C2 I28 G29 L59 Y60 L61 Y75 C76C2-W16 HydrophobicContact CB-CH2 3.8Å; C2-W16 HydrophobicContact CB-CZ2 4.02Å; W16-I28 HydrophobicContact CB-CB 4.09Å; W16-I28 HydrophobicContact CB-CD1 4.21Å; W16-I28 WeakPolarHBondContact O-CB 3.24Å; W16-I28 PolarHBondContact O-N 2.77Å; W16-G29 PolarHBondContact N-O 3.05Å; W16-G29 PolarHBondContact O-N 2.82Å; W16-L59 HydrophobicContact CD2-CD2 4.25Å; W16-L59 HydrophobicContact CG-CD2 4.24Å; W16-L59 HydrophobicContact CZ2-CD2 4.14Å; W16-L59 HydrophobicContact CZ2-CG 4.25Å; W16-L59 VanDerWaalsContact NE1-CG 3.33Å; W16-Y60 PolarHBondContact NE1-O 3.09Å; W16-Y60 VanDerWaalsContact NE1-O 3.1Å; W16-L61 HydrophobicContact CB-CD1 4.23Å; W16-L61 HydrophobicContact CB-CD2 4.42Å; 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 4.44Å; W16-L61 HydrophobicContact CE3-CD2 4.15Å; W16-L61 HydrophobicContact CG-CB 4.16Å; W16-L61 HydrophobicContact CG-CD1 3.9Å; W16-L61 HydrophobicContact CG-CD2 4.14Å; W16-L61 HydrophobicContact CG-CG 4.31Å; W16-L61 HydrophobicContact CZ2-CB 3.93Å; W16-Y75 WeakPolarHBondContact CA-O 3.41Å; W16-Y75 VanDerWaalsContact CE3-C 3.47Å; W16-C76 HydrophobicContact CE3-CB 4.38Å; W16-C76 HydrophobicContact CH2-CB 4.16Å; W16-C76 HydrophobicContact CZ2-CB 4.38Å; W16-C76 HydrophobicContact CZ3-CB 4.16Å
17V96.3Very high94.8Very high8 Ų863.2 Ų63.25%0.04834%0.335CS..EExtended strand (participates in β ladder)trans-135.4146.3177.9-177.50000107.6L25 E26 Y75 W88V17-L25 HydrophobicContact CG1-CB 3.97Å; V17-L25 HydrophobicContact CG1-CD2 3.92Å; V17-L25 HydrophobicContact CG1-CG 4.5Å; V17-E26 CarbonylContact C-O 3.53Å; V17-E26 WeakPolarHBondContact CA-O 3.42Å; V17-E26 VanDerWaalsContact CG1-O 3.32Å; V17-E26 WeakPolarHBondContact CG1-O 3.38Å; V17-Y75 PolarHBondContact N-O 3.02Å; V17-Y75 PolarHBondContact O-N 2.86Å; V17-W88 HydrophobicContact CB-CH2 3.85Å; V17-W88 HydrophobicContact CB-CZ3 3.62Å; V17-W88 HydrophobicContact CG1-CH2 3.79Å; V17-W88 HydrophobicContact CG1-CZ3 3.82Å; V17-W88 HydrophobicContact CG2-CH2 3.64Å; V17-W88 HydrophobicContact CG2-CZ3 3.81Å
18R96.3Very high95.1Very high19 Ų1961 Ų617%0.07233%0.326CS..EExtended strand (participates in β ladder)trans-125.7158.2172.866.8178.1-169.81742.9112.6E26 I28 L44 D70 A72 L73 Y74R18-E26 HydrophobicContact CG-CB 4.17Å; R18-E26 IonicContact CZ-OE2 3.73Å; R18-E26 PolarHBondContact N-O 3.13Å; R18-E26 IonicContact NE-OE2 3.91Å; R18-E26 PolarHBondContact NE-OE2 2.91Å; R18-E26 IonicContact NH2-OE1 3.71Å; R18-E26 IonicContact NH2-OE2 2.71Å; R18-E26 PolarHBondContact NH2-OE2 2.87Å; R18-E26 PolarHBondContact O-N 3.11Å; R18-I28 HydrophobicContact CB-CD1 4.08Å; R18-I28 HydrophobicContact CB-CG1 4.43Å; R18-I28 HydrophobicContact CG-CD1 4.15Å; R18-I28 HydrophobicContact CG-CG1 4.1Å; R18-L44 VanDerWaalsContact NH2-CD2 3.29Å; R18-D70 IonicContact CZ-OD1 3.64Å; R18-D70 IonicContact NH1-OD1 3.74Å; R18-D70 PolarHBondContact NH1-OD1 3.07Å; R18-D70 IonicContact NH2-OD1 2.85Å; R18-A72 HydrophobicContact CB-CB 4Å; R18-L73 CarbonylContact C-O 3.4Å; R18-L73 WeakPolarHBondContact CA-O 3.13Å; R18-Y74 HydrophobicContact CB-CD1 3.93Å; R18-Y74 HydrophobicContact CB-CE1 3.88Å; R18-Y74 HydrophobicContact CB-CG 4.29Å
19Q97Very high95.2Very high68 Ų6857.3 Ų57.332%0.31831%0.306SS..EExtended strand (participates in β ladder)trans-133.6107.3172.7-169.517723.300109.8K23 L25 A72 L73 Y75Q19-K23 WeakPolarHBondContact CG-O 3.41Å; Q19-K23 PolarHBondContact NE2-O 3.2Å; Q19-L25 HydrophobicContact CB-CD2 4.1Å; Q19-A72 WeakPolarHBondContact O-CA 3.25Å; Q19-A72 VanDerWaalsContact O-CB 3.29Å; Q19-A72 WeakPolarHBondContact O-CB 3.45Å; Q19-L73 PolarHBondContact N-O 2.81Å; Q19-L73 PolarHBondContact O-N 3.12Å; Q19-Y75 HydrophobicContact CB-CE2 4.08Å
20A96.3Very high95.3Very high23 Ų2359.3 Ų59.319%0.1932%0.315CS..  trans-73.6153.3172.600000110.6G22 K23 A72A20-G22 PolarHBondContact O-N 2.84Å; A20-K23 HydrophobicContact CB-CB 4.1Å; A20-K23 HydrophobicContact CB-CG 3.97Å; A20-K23 WeakPolarHBondContact O-CB 3.38Å; A20-K23 PolarHBondContact O-N 3.14Å; A20-A72 HydrophobicContact CB-CB 4.39Å
21P95.1Very high95.5Very high104 Ų10457.2 Ų57.268%0.67530%0.301SS*.THydrogen-bonded Turntrans-53.3127177.2-26.334.7000112.2K23 T71P21-K23 PolarHBondContact O-N 2.72Å; P21-T71 WeakPolarHBondContact CD-O 3.32Å
22G95.1Very high95.6Very high89 Ų8949 Ų4992%0.91827%0.27SS*.THydrogen-bonded Turntrans70.211.7-17900000115.2A20A20-G22 PolarHBondContact O-N 2.84Å
23K94.8Very high95.7Very high146 Ų14646.4 Ų46.464%0.63526%0.264SS*.  trans-114.9161.6176-59.1-64.8-175.1177.60111.5Q19 A20 P21Q19-K23 WeakPolarHBondContact CG-O 3.41Å; Q19-K23 PolarHBondContact NE2-O 3.2Å; A20-K23 HydrophobicContact CB-CB 4.1Å; A20-K23 HydrophobicContact CB-CG 3.97Å; A20-K23 WeakPolarHBondContact O-CB 3.38Å; A20-K23 PolarHBondContact O-N 3.14Å; P21-K23 PolarHBondContact O-N 2.72Å
24G94Very high95.8Very high55 Ų5547.2 Ų47.257%0.56728%0.276SS*.  trans-72.5177.9169.900000112.4
25L93.8Very high95.9Very high100 Ų10049.5 Ų49.552%0.52429%0.292SS..EExtended strand (participates in β ladder)trans-66.7130.6172.3-68.2166.9000110.1V17 Q19 Y75 W88V17-L25 HydrophobicContact CG1-CB 3.97Å; V17-L25 HydrophobicContact CG1-CD2 3.92Å; V17-L25 HydrophobicContact CG1-CG 4.5Å; Q19-L25 HydrophobicContact CB-CD2 4.1Å; L25-Y75 HydrophobicContact CD2-CD2 4.41Å; L25-Y75 HydrophobicContact CD2-CE2 4.29Å; L25-W88 HydrophobicContact CD1-CH2 4.1Å; L25-W88 HydrophobicContact CD2-CH2 4.45Å; L25-W88 HydrophobicContact CD2-CZ3 4.31Å
26E94.8Very high95.9Very high67 Ų6753.4 Ų53.431%0.31332%0.319SS..EExtended strand (participates in β ladder)trans-118117175.7-175.8-177.6-161.600109V17 R18 L44V17-E26 CarbonylContact C-O 3.53Å; V17-E26 WeakPolarHBondContact CA-O 3.42Å; V17-E26 VanDerWaalsContact CG1-O 3.32Å; V17-E26 WeakPolarHBondContact CG1-O 3.38Å; R18-E26 HydrophobicContact CG-CB 4.17Å; R18-E26 IonicContact CZ-OE2 3.73Å; R18-E26 PolarHBondContact N-O 3.13Å; R18-E26 IonicContact NE-OE2 3.91Å; R18-E26 PolarHBondContact NE-OE2 2.91Å; R18-E26 IonicContact NH2-OE1 3.71Å; R18-E26 IonicContact NH2-OE2 2.71Å; R18-E26 PolarHBondContact NH2-OE2 2.87Å; R18-E26 PolarHBondContact O-N 3.11Å; E26-L44 HydrophobicContact CG-CD1 4.25Å
27W95.2Very high95.9Very high88 Ų8855.6 Ų55.633%0.33333%0.334SS..EExtended strand (participates in β ladder)trans-70.6131.8175.7178.982.3000110.2G29 E30 N39 T41W27-G29 VanDerWaalsContact CE2-C 3.48Å; W27-G29 VanDerWaalsContact CE2-CA 3.48Å; W27-G29 VanDerWaalsContact CZ2-C 3.4Å; W27-G29 PolarHBondContact NE1-O 3.34Å; W27-E30 HydrophobicContact CZ2-CB 3.86Å; W27-E30 HydrophobicContact CZ2-CG 3.67Å; W27-N39 HydrophobicContact CH2-CB 3.69Å; W27-N39 HydrophobicContact CZ2-CB 4.26Å; W27-T41 VanDerWaalsContact CE3-OG1 3.26Å; W27-T41 WeakPolarHBondContact O-CB 3.41Å; W27-T41 PolarHBondContact O-OG1 2.9Å
28I96.2Very high96Very high0 Ų058.1 Ų58.10%035%0.347CS..EExtended strand (participates in β ladder)trans-90.4-46.9179.4-59.3-177.5000110.2W16 R18 Y40 T41 L44 F48 L61 Y74W16-I28 HydrophobicContact CB-CB 4.09Å; W16-I28 HydrophobicContact CB-CD1 4.21Å; W16-I28 WeakPolarHBondContact O-CB 3.24Å; W16-I28 PolarHBondContact O-N 2.77Å; R18-I28 HydrophobicContact CB-CD1 4.08Å; R18-I28 HydrophobicContact CB-CG1 4.43Å; R18-I28 HydrophobicContact CG-CD1 4.15Å; R18-I28 HydrophobicContact CG-CG1 4.1Å; I28-Y40 WeakPolarHBondContact O-CA 3.01Å; I28-T41 PolarHBondContact O-N 2.84Å; I28-L44 HydrophobicContact CB-CD1 4.42Å; I28-L44 HydrophobicContact CG1-CD1 4.11Å; I28-L44 HydrophobicContact CG2-CD1 4.47Å; I28-F48 HydrophobicContact CD1-CD2 4.4Å; I28-F48 HydrophobicContact CD1-CE2 4.42Å; I28-F48 HydrophobicContact CG2-CB 4.07Å; I28-F48 HydrophobicContact CG2-CD2 3.65Å; I28-F48 HydrophobicContact CG2-CE2 4.48Å; I28-F48 HydrophobicContact CG2-CG 4.1Å; I28-L61 HydrophobicContact CD1-CD2 3.95Å; I28-L61 HydrophobicContact CG2-CD1 4.4Å; I28-Y74 HydrophobicContact CD1-CD1 3.7Å; I28-Y74 HydrophobicContact CD1-CE1 3.53Å
29G95.9Very high96Very high0 Ų060.4 Ų60.40%036%0.36CS..EExtended strand (participates in β ladder)trans167.8174.2-172.700000111.9S15 W16 W27 N39S15-G29 CarbonylContact C-O 3.6Å; S15-G29 VanDerWaalsContact CA-O 3.32Å; S15-G29 WeakPolarHBondContact CA-O 3.28Å; W16-G29 PolarHBondContact N-O 3.05Å; W16-G29 PolarHBondContact O-N 2.82Å; W27-G29 VanDerWaalsContact CE2-C 3.48Å; W27-G29 VanDerWaalsContact CE2-CA 3.48Å; W27-G29 VanDerWaalsContact CZ2-C 3.4Å; W27-G29 PolarHBondContact NE1-O 3.34Å; G29-N39 CarbonylContact C-O 3.59Å; G29-N39 WeakPolarHBondContact CA-O 2.99Å
30E96.1Very high96Very high42 Ų4259.2 Ų59.220%0.19635%0.353CS..EExtended strand (participates in β ladder)trans-145.6155.6177.572.8-173.1162.600111.2W13 M14 S15 W27 I38 N39W13-E30 HydrophobicContact CE3-CB 4.24Å; W13-E30 VanDerWaalsContact CE3-CD 3.45Å; W13-E30 HydrophobicContact CE3-CG 3.46Å; W13-E30 VanDerWaalsContact CE3-CG 3.46Å; W13-E30 HydrophobicContact CZ3-CG 3.6Å; M14-E30 CarbonylContact O-C 3.44Å; M14-E30 WeakPolarHBondContact O-CA 3.19Å; M14-E30 WeakPolarHBondContact O-CB 3.2Å; S15-E30 VanDerWaalsContact OG-CB 3.28Å; S15-E30 WeakPolarHBondContact OG-CB 3.36Å; W27-E30 HydrophobicContact CZ2-CB 3.86Å; W27-E30 HydrophobicContact CZ2-CG 3.67Å; E30-I38 VanDerWaalsContact O-CA 3.31Å; E30-I38 WeakPolarHBondContact O-CA 3.31Å; E30-I38 VanDerWaalsContact O-CG2 3.27Å; E30-I38 WeakPolarHBondContact O-CG2 3.39Å; E30-N39 HydrophobicContact CG-CB 4.14Å; E30-N39 PolarHBondContact N-O 2.82Å; E30-N39 PolarHBondContact O-N 2.79Å; E30-N39 PolarHBondContact OE1-ND2 2.74Å; E30-N39 VanDerWaalsContact OE1-ND2 3.09Å
31I97.5Very high95.9Very high2 Ų259.5 Ų59.51%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-126.2135.9178.8-175.3161.2000110W13 M14 I38 I50 R52 L59W13-I31 WeakPolarHBondContact CA-O 3.33Å; M14-I31 HydrophobicContact CB-CG2 4.37Å; M14-I31 PolarHBondContact N-O 3.18Å; M14-I31 VanDerWaalsContact N-O 3.08Å; M14-I31 PolarHBondContact O-N 2.88Å; I31-I38 HydrophobicContact CB-CG1 4.37Å; I31-I38 HydrophobicContact CB-CG2 4.49Å; I31-I38 HydrophobicContact CD1-CD1 3.92Å; I31-I38 HydrophobicContact CD1-CG1 3.94Å; I31-I38 HydrophobicContact CG1-CD1 4.5Å; I31-I38 HydrophobicContact CG1-CG1 3.96Å; I31-I50 HydrophobicContact CB-CG2 3.86Å; I31-I50 HydrophobicContact CG2-CG2 3.64Å; I31-R52 HydrophobicContact CD1-CG 3.93Å; I31-R52 HydrophobicContact CG1-CG 4.38Å; I31-R52 HydrophobicContact CG2-CB 4.46Å; I31-L59 HydrophobicContact CG2-CD1 3.52Å
32N96Very high95.9Very high13 Ų1360.1 Ų60.17%0.0736%0.357CS..  trans-77.5166.8-179.878.5-28.5000112W13 D34 S35 S36 T37 R52W13-N32 HydrophobicContact CD2-CB 3.68Å; W13-N32 VanDerWaalsContact CE2-CB 3.4Å; W13-N32 HydrophobicContact CE3-CB 3.85Å; W13-N32 HydrophobicContact CG-CB 4.45Å; W13-N32 HydrophobicContact CH2-CB 3.63Å; W13-N32 HydrophobicContact CZ2-CB 3.4Å; W13-N32 HydrophobicContact CZ3-CB 3.83Å; N32-D34 VanDerWaalsContact C-N 3.34Å; N32-D34 VanDerWaalsContact CG-OD1 3.23Å; N32-D34 PolarHBondContact ND2-OD1 2.01Å; N32-D34 PolarHBondContact O-N 2.79Å; N32-D34 PolarHBondContact OD1-OD1 2.76Å; N32-D34 VanDerWaalsContact OD1-OD1 3.13Å; N32-S35 PolarHBondContact O-N 2.71Å; N32-S35 VanDerWaalsContact OD1-CA 3.28Å; N32-S35 WeakPolarHBondContact OD1-CA 3.3Å; N32-S35 PolarHBondContact OD1-N 3.02Å; N32-S35 VanDerWaalsContact OD1-N 3.07Å; N32-S36 PolarHBondContact ND2-OG 2.88Å; N32-S36 PolarHBondContact OD1-N 2.87Å; N32-T37 PolarHBondContact N-O 2.85Å; N32-T37 VanDerWaalsContact N-O 3.1Å; N32-T37 PolarHBondContact OD1-N 3.04Å; N32-T37 PolarHBondContact OD1-O 2.89Å; N32-T37 VanDerWaalsContact OD1-O 3.11Å; N32-R52 WeakPolarHBondContact O-CD 3.49Å; N32-R52 PolarHBondContact O-NH1 3.14Å
33P96.4Very high95.7Very high35 Ų3559.8 Ų59.823%0.22734%0.341CS..THydrogen-bonded Turntrans-44.5-47.1179.4-4144.3000117S10 R52 N54S10-P33 VanDerWaalsContact O-CB 3.27Å; S10-P33 WeakPolarHBondContact O-CB 3.29Å; P33-R52 VanDerWaalsContact CA-NH1 3.3Å; P33-N54 PolarHBondContact O-ND2 2.82Å
34D96.1Very high95.6Very high110 Ų11053 Ų5359%0.58831%0.311SS*.THydrogen-bonded Turntrans-95.73.8-173.866.111.7000113.5N32 S36N32-D34 VanDerWaalsContact C-N 3.34Å; N32-D34 VanDerWaalsContact CG-OD1 3.23Å; N32-D34 PolarHBondContact ND2-OD1 2.01Å; N32-D34 PolarHBondContact O-N 2.79Å; N32-D34 PolarHBondContact OD1-OD1 2.76Å; N32-D34 VanDerWaalsContact OD1-OD1 3.13Å; D34-S36 PolarHBondContact O-N 2.85Å; D34-S36 VanDerWaalsContact OD1-CB 3.23Å; D34-S36 WeakPolarHBondContact OD1-CB 3.18Å; D34-S36 PolarHBondContact OD1-N 2.86Å; D34-S36 PolarHBondContact OD1-OG 2.88Å; D34-S36 PolarHBondContact OD2-OG 3.28Å
35S97.2Very high95.5Very high53 Ų5356.4 Ų56.437%0.37131%0.311SS..SBendtrans62.89.7-177.8-45.90000115.5N32 T37 R52N32-S35 PolarHBondContact O-N 2.71Å; N32-S35 VanDerWaalsContact OD1-CA 3.28Å; N32-S35 WeakPolarHBondContact OD1-CA 3.3Å; N32-S35 PolarHBondContact OD1-N 3.02Å; N32-S35 VanDerWaalsContact OD1-N 3.07Å; S35-T37 VanDerWaalsContact C-N 3.28Å; S35-T37 PolarHBondContact O-N 3.48Å; S35-R52 WeakPolarHBondContact OG-CD 3.32Å; S35-R52 WeakPolarHBondContact OG-CG 3.43Å
36S97.4Very high95.5Very high86 Ų8657.7 Ų57.760%0.60132%0.318SS*.SBendtrans-72-23.8177.463.50000113N32 D34N32-S36 PolarHBondContact ND2-OG 2.88Å; N32-S36 PolarHBondContact OD1-N 2.87Å; D34-S36 PolarHBondContact O-N 2.85Å; D34-S36 VanDerWaalsContact OD1-CB 3.23Å; D34-S36 WeakPolarHBondContact OD1-CB 3.18Å; D34-S36 PolarHBondContact OD1-N 2.86Å; D34-S36 PolarHBondContact OD1-OG 2.88Å; D34-S36 PolarHBondContact OD2-OG 3.28Å
37T97.4Very high95.5Very high59 Ų5955.2 Ų55.236%0.36231%0.306SS..  trans-127.6130.6-177.8-54.60000110.9W13 N32 S35W13-T37 HydrophobicContact CH2-CG2 3.97Å; N32-T37 PolarHBondContact N-O 2.85Å; N32-T37 VanDerWaalsContact N-O 3.1Å; N32-T37 PolarHBondContact OD1-N 3.04Å; N32-T37 PolarHBondContact OD1-O 2.89Å; N32-T37 VanDerWaalsContact OD1-O 3.11Å; S35-T37 VanDerWaalsContact C-N 3.28Å; S35-T37 PolarHBondContact O-N 3.48Å
38I97.2Very high95.5Very high62 Ų6251 Ų5132%0.31829%0.29SS..EExtended strand (participates in β ladder)trans-132.5120.1172.5-45.4176.8000108.7E30 I31 Y40 I50E30-I38 VanDerWaalsContact O-CA 3.31Å; E30-I38 WeakPolarHBondContact O-CA 3.31Å; E30-I38 VanDerWaalsContact O-CG2 3.27Å; E30-I38 WeakPolarHBondContact O-CG2 3.39Å; I31-I38 HydrophobicContact CB-CG1 4.37Å; I31-I38 HydrophobicContact CB-CG2 4.49Å; I31-I38 HydrophobicContact CD1-CD1 3.92Å; I31-I38 HydrophobicContact CD1-CG1 3.94Å; I31-I38 HydrophobicContact CG1-CD1 4.5Å; I31-I38 HydrophobicContact CG1-CG1 3.96Å; I38-Y40 HydrophobicContact CB-CE2 3.83Å; I38-Y40 HydrophobicContact CG2-CD2 3.94Å; I38-Y40 HydrophobicContact CG2-CE1 4.38Å; I38-Y40 HydrophobicContact CG2-CE2 3.23Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.49Å; I38-I50 HydrophobicContact CG2-CB 4.18Å; I38-I50 HydrophobicContact CG2-CD1 4.45Å
39N96.1Very high95.5Very high66 Ų6654.9 Ų54.935%0.35331%0.31SS..EExtended strand (participates in β ladder)trans-98.3145.8173.8-58.2-41.3000109.3W27 G29 E30W27-N39 HydrophobicContact CH2-CB 3.69Å; W27-N39 HydrophobicContact CZ2-CB 4.26Å; G29-N39 CarbonylContact C-O 3.59Å; G29-N39 WeakPolarHBondContact CA-O 2.99Å; E30-N39 HydrophobicContact CG-CB 4.14Å; E30-N39 PolarHBondContact N-O 2.82Å; E30-N39 PolarHBondContact O-N 2.79Å; E30-N39 PolarHBondContact OE1-ND2 2.74Å; E30-N39 VanDerWaalsContact OE1-ND2 3.09Å
40Y96.4Very high95.6Very high43 Ų4355 Ų5517%0.16931%0.311CS..EExtended strand (participates in β ladder)trans-136.2152.7179.8-71.5-88.2000110.9I28 I38 P42 K45 F48 I50I28-Y40 WeakPolarHBondContact O-CA 3.01Å; I38-Y40 HydrophobicContact CB-CE2 3.83Å; I38-Y40 HydrophobicContact CG2-CD2 3.94Å; I38-Y40 HydrophobicContact CG2-CE1 4.38Å; I38-Y40 HydrophobicContact CG2-CE2 3.23Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.49Å; Y40-P42 WeakPolarHBondContact O-CD 3.42Å; Y40-K45 HydrophobicContact CD1-CB 4.47Å; Y40-K45 HydrophobicContact CD1-CG 4.49Å; Y40-K45 HydrophobicContact CD2-CD 4.33Å; Y40-K45 HydrophobicContact CD2-CG 3.92Å; Y40-K45 HydrophobicContact CE2-CG 4.47Å; Y40-K45 HydrophobicContact CG-CB 4.08Å; Y40-K45 HydrophobicContact CG-CG 3.93Å; Y40-F48 WeakPolarHBondContact CE1-O 3.36Å; Y40-I50 HydrophobicContact CD1-CD1 4.36Å; Y40-I50 HydrophobicContact CE1-CD1 3.87Å; Y40-I50 HydrophobicContact CE1-CG1 3.84Å; Y40-I50 PolarHBondContact OH-N 2.6Å
41T95.4Very high95.7Very high29 Ų2955.4 Ų55.418%0.17832%0.318CS..  trans-65.6124.4157.2-68.20000108.7W27 I28 S43 L44 K45W27-T41 VanDerWaalsContact CE3-OG1 3.26Å; W27-T41 WeakPolarHBondContact O-CB 3.41Å; W27-T41 PolarHBondContact O-OG1 2.9Å; I28-T41 PolarHBondContact O-N 2.84Å; T41-S43 VanDerWaalsContact C-N 3.28Å; T41-S43 WeakPolarHBondContact CG2-OG 3.06Å; T41-S43 PolarHBondContact O-N 3.04Å; T41-S43 VanDerWaalsContact O-N 3.14Å; T41-L44 HydrophobicContact CG2-CD1 4.35Å; T41-L44 HydrophobicContact CG2-CG 4.16Å; T41-L44 PolarHBondContact O-N 3.49Å; T41-K45 PolarHBondContact O-N 3.23Å
42P94.6Very high95.8Very high118 Ų11856.5 Ų56.577%0.76632%0.322SS*.THydrogen-bonded Turntrans-54.3-38.6-171.8-30.636000114.7Y40 L44Y40-P42 WeakPolarHBondContact O-CD 3.42Å; P42-L44 PolarHBondContact O-N 3.19Å
43S91.9Very high95.9Very high82 Ų8257.9 Ų57.957%0.57333%0.329SS*.THydrogen-bonded Turntrans-69-15.7179.154.60000114.3T41T41-S43 VanDerWaalsContact C-N 3.28Å; T41-S43 WeakPolarHBondContact CG2-OG 3.06Å; T41-S43 PolarHBondContact O-N 3.04Å; T41-S43 VanDerWaalsContact O-N 3.14Å
44L92.6Very high95.9Very high4 Ų459 Ų592%0.02133%0.333CS..THydrogen-bonded Turntrans-111.3-14-172.6-57.9-173.5000113.7R18 E26 I28 T41 P42 D46 K47 F48R18-L44 VanDerWaalsContact NH2-CD2 3.29Å; E26-L44 HydrophobicContact CG-CD1 4.25Å; I28-L44 HydrophobicContact CB-CD1 4.42Å; I28-L44 HydrophobicContact CG1-CD1 4.11Å; I28-L44 HydrophobicContact CG2-CD1 4.47Å; T41-L44 HydrophobicContact CG2-CD1 4.35Å; T41-L44 HydrophobicContact CG2-CG 4.16Å; T41-L44 PolarHBondContact O-N 3.49Å; P42-L44 PolarHBondContact O-N 3.19Å; L44-D46 VanDerWaalsContact C-N 3.26Å; L44-D46 PolarHBondContact O-N 3.44Å; L44-K47 PolarHBondContact O-N 3.05Å; L44-F48 HydrophobicContact CB-CD2 3.97Å; L44-F48 HydrophobicContact CB-CE2 4.21Å; L44-F48 HydrophobicContact CD1-CE2 4.48Å; L44-F48 HydrophobicContact CD2-CE2 4.25Å; L44-F48 PolarHBondContact O-N 3.03Å
45K91.6Very high95.9Very high126 Ų12658.3 Ų58.355%0.54834%0.343SS..THydrogen-bonded Turntrans-56.2-34.7-175.7-175.1179.4177-176.90113.8Y40 T41 K47Y40-K45 HydrophobicContact CD1-CB 4.47Å; Y40-K45 HydrophobicContact CD1-CG 4.49Å; Y40-K45 HydrophobicContact CD2-CD 4.33Å; Y40-K45 HydrophobicContact CD2-CG 3.92Å; Y40-K45 HydrophobicContact CE2-CG 4.47Å; Y40-K45 HydrophobicContact CG-CB 4.08Å; Y40-K45 HydrophobicContact CG-CG 3.93Å; T41-K45 PolarHBondContact O-N 3.23Å; K45-K47 VanDerWaalsContact C-N 3.31Å; K45-K47 PolarHBondContact O-N 2.96Å
46D92.8Very high96Very high126 Ų12662 Ų6267%0.67435%0.353SS*.THydrogen-bonded Turntrans-81.8-11.4-177.9-66.3-25.7000113.7L44L44-D46 VanDerWaalsContact C-N 3.26Å; L44-D46 PolarHBondContact O-N 3.44Å
47K94.9Very high95.9Very high15 Ų1560.9 Ų60.97%0.06534%0.34CS..THydrogen-bonded Turntrans-98.4-32.7-177.1-63.4-175.1175.6-165.50112.5L44 K45 S64 E69 D70L44-K47 PolarHBondContact O-N 3.05Å; K45-K47 VanDerWaalsContact C-N 3.31Å; K45-K47 PolarHBondContact O-N 2.96Å; K47-S64 PolarHBondContact O-N 3.42Å; K47-E69 IonicContact NZ-OE1 2.74Å; K47-E69 PolarHBondContact NZ-OE1 3.05Å; K47-D70 IonicContact NZ-OD1 3.33Å; K47-D70 PolarHBondContact NZ-OD1 3.4Å; K47-D70 IonicContact NZ-OD2 2.79Å; K47-D70 PolarHBondContact NZ-OD2 3.12Å
48F95.8Very high96Very high0 Ų058.7 Ų58.70%033%0.327CS..EExtended strand (participates in β ladder)trans-125.5139.1-170-55.1-60.1000112.3I28 Y40 L44 L61 Q62 M63 V66 D70 Y74I28-F48 HydrophobicContact CD1-CD2 4.4Å; I28-F48 HydrophobicContact CD1-CE2 4.42Å; I28-F48 HydrophobicContact CG2-CB 4.07Å; I28-F48 HydrophobicContact CG2-CD2 3.65Å; I28-F48 HydrophobicContact CG2-CE2 4.48Å; I28-F48 HydrophobicContact CG2-CG 4.1Å; Y40-F48 WeakPolarHBondContact CE1-O 3.36Å; L44-F48 HydrophobicContact CB-CD2 3.97Å; L44-F48 HydrophobicContact CB-CE2 4.21Å; L44-F48 HydrophobicContact CD1-CE2 4.48Å; L44-F48 HydrophobicContact CD2-CE2 4.25Å; L44-F48 PolarHBondContact O-N 3.03Å; F48-L61 HydrophobicContact CB-CD1 3.79Å; F48-L61 HydrophobicContact CB-CG 4.47Å; F48-L61 HydrophobicContact CD1-CD2 4.37Å; F48-L61 HydrophobicContact CD1-CG 4.36Å; F48-L61 HydrophobicContact CG-CD1 4.31Å; F48-Q62 CarbonylContact C-O 3.38Å; F48-Q62 WeakPolarHBondContact CA-O 3.31Å; F48-M63 HydrophobicContact CD1-CB 4.12Å; F48-M63 HydrophobicContact CD1-CE 4.28Å; F48-M63 HydrophobicContact CD1-CG 3.78Å; F48-M63 HydrophobicContact CE1-CB 4.15Å; F48-M63 HydrophobicContact CE1-CE 3.5Å; F48-M63 HydrophobicContact CE1-CG 3.86Å; F48-M63 HydrophobicContact CZ-CE 4.28Å; F48-V66 HydrophobicContact CE1-CG1 3.72Å; F48-V66 HydrophobicContact CZ-CG1 4.28Å; F48-D70 HydrophobicContact CZ-CB 4.49Å; F48-Y74 HydrophobicContact CE1-CE1 4.28Å; F48-Y74 HydrophobicContact CZ-CE1 4.2Å; F48-Y74 WeakPolarHBondContact CZ-OH 3.36Å
49I96.7Very high96Very high82 Ų8255.8 Ų55.842%0.42131%0.312SS..EExtended strand (participates in β ladder)trans-119.3120.5173.1-57.2170.3000107.8Q62I49-Q62 HydrophobicContact CB-CB 4.23Å; I49-Q62 PolarHBondContact N-O 3.44Å; I49-Q62 PolarHBondContact O-N 3.08Å
50I97.7Very high96.2Very high2 Ų256.2 Ų56.21%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-92.1134.8175.8-58.1173.9000108.7I31 I38 Y40 L59 L61I31-I50 HydrophobicContact CB-CG2 3.86Å; I31-I50 HydrophobicContact CG2-CG2 3.64Å; I38-I50 HydrophobicContact CG2-CB 4.18Å; I38-I50 HydrophobicContact CG2-CD1 4.45Å; Y40-I50 HydrophobicContact CD1-CD1 4.36Å; Y40-I50 HydrophobicContact CE1-CD1 3.87Å; Y40-I50 HydrophobicContact CE1-CG1 3.84Å; Y40-I50 PolarHBondContact OH-N 2.6Å; I50-L59 HydrophobicContact CG2-CD1 4.09Å; I50-L61 HydrophobicContact CG1-CD1 3.75Å
51S98.2Very high96.2Very high51 Ų5155.3 Ų55.336%0.35731%0.307SS..EExtended strand (participates in β ladder)trans-146.7166.8171.262.90000110.5Y60S51-Y60 PolarHBondContact N-O 3.12Å; S51-Y60 VanDerWaalsContact N-O 3.17Å; S51-Y60 PolarHBondContact O-N 3.31Å; S51-Y60 WeakPolarHBondContact OG-CB 3.27Å
52R98.3Very high96.3Very high24 Ų2459.3 Ų59.39%0.09132%0.323CS..EExtended strand (participates in β ladder)trans-142.8152.3-177.363.7-176.1-66.7158.63.5111.6F9 Y12 I31 N32 P33 S35 N54 T58 L59F9-R52 VanDerWaalsContact CD1-NH2 3.28Å; F9-R52 HydrophobicContact CE1-CB 4.14Å; F9-R52 VanDerWaalsContact CE1-NH2 3.26Å; F9-R52 HydrophobicContact CZ-CB 4.16Å; F9-R52 PolarHBondContact O-NH2 2.93Å; Y12-R52 PolarHBondContact O-NH1 2.92Å; I31-R52 HydrophobicContact CD1-CG 3.93Å; I31-R52 HydrophobicContact CG1-CG 4.38Å; I31-R52 HydrophobicContact CG2-CB 4.46Å; N32-R52 WeakPolarHBondContact O-CD 3.49Å; N32-R52 PolarHBondContact O-NH1 3.14Å; P33-R52 VanDerWaalsContact CA-NH1 3.3Å; S35-R52 WeakPolarHBondContact OG-CD 3.32Å; S35-R52 WeakPolarHBondContact OG-CG 3.43Å; R52-N54 PolarHBondContact NE-OD1 3.27Å; R52-N54 PolarHBondContact NH2-OD1 2.8Å; R52-T58 CarbonylContact C-O 3.5Å; R52-T58 WeakPolarHBondContact CA-O 3.28Å; R52-L59 HydrophobicContact CB-CD1 4.16Å
53D98.1Very high96.4Very high42 Ų4256.5 Ų56.523%0.22530%0.301CS..EExtended strand (participates in β ladder)trans-124.7107.9170.9-176.5-25.1000108.2A55 K56 N57 T58 Y60D53-A55 WeakPolarHBondContact OD1-CB 3.49Å; D53-A55 PolarHBondContact OD1-N 3.47Å; D53-K56 HydrophobicContact CB-CB 4.21Å; D53-K56 PolarHBondContact O-N 2.84Å; D53-K56 PolarHBondContact OD1-N 2.78Å; D53-K56 VanDerWaalsContact OD1-N 3.08Å; D53-K56 WeakPolarHBondContact OD2-CD 3.46Å; D53-K56 WeakPolarHBondContact OD2-CE 3.36Å; D53-K56 WeakPolarHBondContact OD2-CG 3.39Å; D53-K56 IonicContact OD2-NZ 3.68Å; D53-K56 PolarHBondContact OD2-NZ 3.17Å; D53-N57 PolarHBondContact O-N 2.94Å; D53-T58 PolarHBondContact N-O 2.93Å; D53-T58 PolarHBondContact O-N 2.97Å; D53-Y60 HydrophobicContact CB-CE2 3.86Å
54N97.6Very high96.3Very high58 Ų5855.9 Ų55.931%0.3130%0.296SS..THydrogen-bonded Turntrans-72.3-29.3-178.1-72.5-15.9000112.5F9 P33 R52 K56 N57F9-N54 WeakPolarHBondContact CE1-OD1 3.43Å; P33-N54 PolarHBondContact O-ND2 2.82Å; R52-N54 PolarHBondContact NE-OD1 3.27Å; R52-N54 PolarHBondContact NH2-OD1 2.8Å; N54-K56 VanDerWaalsContact C-N 3.26Å; N54-K56 PolarHBondContact O-N 2.82Å; N54-N57 PolarHBondContact O-N 2.81Å; N54-N57 PolarHBondContact O-OD1 3.08Å
55A96.8Very high96.1Very high97 Ų9762.2 Ų62.280%0.80232%0.324SS*.THydrogen-bonded Turntrans-70.1-29.1177.200000111.5D53D53-A55 WeakPolarHBondContact OD1-CB 3.49Å; D53-A55 PolarHBondContact OD1-N 3.47Å
56K97.6Very high96.2Very high130 Ų13058.6 Ų58.657%0.56531%0.312SS*.THydrogen-bonded Turntrans-992.4177.6-61.5-178.9-166.2157.10114.1D53 N54 T58D53-K56 HydrophobicContact CB-CB 4.21Å; D53-K56 PolarHBondContact O-N 2.84Å; D53-K56 PolarHBondContact OD1-N 2.78Å; D53-K56 VanDerWaalsContact OD1-N 3.08Å; D53-K56 WeakPolarHBondContact OD2-CD 3.46Å; D53-K56 WeakPolarHBondContact OD2-CE 3.36Å; D53-K56 WeakPolarHBondContact OD2-CG 3.39Å; D53-K56 IonicContact OD2-NZ 3.68Å; D53-K56 PolarHBondContact OD2-NZ 3.17Å; N54-K56 VanDerWaalsContact C-N 3.26Å; N54-K56 PolarHBondContact O-N 2.82Å; K56-T58 PolarHBondContact O-N 3.1Å; K56-T58 VanDerWaalsContact O-N 3.12Å; K56-T58 PolarHBondContact O-OG1 3.41Å
57N97.3Very high96.3Very high62 Ų6259.5 Ų59.533%0.33231%0.306SS..THydrogen-bonded Turntrans47.339.5-172.1-61.5-38000112.8A4 F9 D53 N54A4-N57 WeakPolarHBondContact CB-O 3.49Å; A4-N57 PolarHBondContact N-O 2.98Å; F9-N57 HydrophobicContact CB-CB 3.87Å; F9-N57 WeakPolarHBondContact CB-OD1 3.3Å; F9-N57 HydrophobicContact CD1-CB 4.45Å; F9-N57 HydrophobicContact CG-CB 4.16Å; D53-N57 PolarHBondContact O-N 2.94Å; N54-N57 PolarHBondContact O-N 2.81Å; N54-N57 PolarHBondContact O-OD1 3.08Å
58T98.3Very high96.3Very high14 Ų1462 Ų629%0.08633%0.326CS..EExtended strand (participates in β ladder)trans-123.1131.1-169.1-60.90000111.8C2 R52 D53 K56 Y60C2-T58 CarbonylContact O-C 3.54Å; C2-T58 WeakPolarHBondContact O-CA 3.34Å; R52-T58 CarbonylContact C-O 3.5Å; R52-T58 WeakPolarHBondContact CA-O 3.28Å; D53-T58 PolarHBondContact N-O 2.93Å; D53-T58 PolarHBondContact O-N 2.97Å; K56-T58 PolarHBondContact O-N 3.1Å; K56-T58 VanDerWaalsContact O-N 3.12Å; K56-T58 PolarHBondContact O-OG1 3.41Å; T58-Y60 HydrophobicContact CG2-CD1 4.38Å; T58-Y60 HydrophobicContact CG2-CD2 4.27Å; T58-Y60 HydrophobicContact CG2-CE1 3.77Å; T58-Y60 HydrophobicContact CG2-CE2 3.65Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.32Å
59L98.4Very high96.1Very high0 Ų067.2 Ų67.20%035%0.35CS..EExtended strand (participates in β ladder)trans-97.2141.6171.4-170.371.2000110.5S1 C2 F9 M14 W16 I31 I50 R52 C76S1-L59 CarbonylContact C-O 3.59Å; S1-L59 WeakPolarHBondContact CA-O 3.4Å; C2-L59 HydrophobicContact CB-CB 4.45Å; C2-L59 PolarHBondContact N-O 3.27Å; C2-L59 PolarHBondContact O-N 2.91Å; F9-L59 HydrophobicContact CE2-CB 4.28Å; F9-L59 HydrophobicContact CZ-CB 4.14Å; M14-L59 HydrophobicContact CB-CD1 3.75Å; M14-L59 HydrophobicContact CB-CD2 3.92Å; M14-L59 HydrophobicContact CB-CG 4.35Å; W16-L59 HydrophobicContact CD2-CD2 4.25Å; W16-L59 HydrophobicContact CG-CD2 4.24Å; W16-L59 HydrophobicContact CZ2-CD2 4.14Å; W16-L59 HydrophobicContact CZ2-CG 4.25Å; W16-L59 VanDerWaalsContact NE1-CG 3.33Å; I31-L59 HydrophobicContact CG2-CD1 3.52Å; I50-L59 HydrophobicContact CG2-CD1 4.09Å; R52-L59 HydrophobicContact CB-CD1 4.16Å; L59-C76 HydrophobicContact CD2-CB 4.06Å
60Y98.5Very high96Very high76 Ų7663.4 Ų63.430%0.29833%0.33SS..EExtended strand (participates in β ladder)trans-123.1146.1179.9-60.2-86.5000110.9W16 S51 D53 T58W16-Y60 PolarHBondContact NE1-O 3.09Å; W16-Y60 VanDerWaalsContact NE1-O 3.1Å; S51-Y60 PolarHBondContact N-O 3.12Å; S51-Y60 VanDerWaalsContact N-O 3.17Å; S51-Y60 PolarHBondContact O-N 3.31Å; S51-Y60 WeakPolarHBondContact OG-CB 3.27Å; D53-Y60 HydrophobicContact CB-CE2 3.86Å; T58-Y60 HydrophobicContact CG2-CD1 4.38Å; T58-Y60 HydrophobicContact CG2-CD2 4.27Å; T58-Y60 HydrophobicContact CG2-CE1 3.77Å; T58-Y60 HydrophobicContact CG2-CE2 3.65Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.32Å
61L98.1Very high96Very high24 Ų2464.7 Ų64.713%0.12634%0.339CS..EExtended strand (participates in β ladder)trans-129.1106.7169.1-170.768.3000106.2W16 I28 F48 I50 M63 Y74W16-L61 HydrophobicContact CB-CD1 4.23Å; W16-L61 HydrophobicContact CB-CD2 4.42Å; 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 4.44Å; W16-L61 HydrophobicContact CE3-CD2 4.15Å; W16-L61 HydrophobicContact CG-CB 4.16Å; W16-L61 HydrophobicContact CG-CD1 3.9Å; W16-L61 HydrophobicContact CG-CD2 4.14Å; W16-L61 HydrophobicContact CG-CG 4.31Å; W16-L61 HydrophobicContact CZ2-CB 3.93Å; I28-L61 HydrophobicContact CD1-CD2 3.95Å; I28-L61 HydrophobicContact CG2-CD1 4.4Å; F48-L61 HydrophobicContact CB-CD1 3.79Å; F48-L61 HydrophobicContact CB-CG 4.47Å; F48-L61 HydrophobicContact CD1-CD2 4.37Å; F48-L61 HydrophobicContact CD1-CG 4.36Å; F48-L61 HydrophobicContact CG-CD1 4.31Å; I50-L61 HydrophobicContact CG1-CD1 3.75Å; L61-M63 HydrophobicContact CD2-CG 4.45Å; L61-M63 HydrophobicContact CG-CG 4.33Å; L61-Y74 HydrophobicContact CD2-CD1 3.66Å; L61-Y74 HydrophobicContact CD2-CE1 3.97Å
62Q97.6Very high96Very high112 Ų11262.3 Ų62.352%0.52332%0.322SS..EExtended strand (participates in β ladder)trans-86.9131.3171.1177.3177.7-13.700108.5F48 I49F48-Q62 CarbonylContact C-O 3.38Å; F48-Q62 WeakPolarHBondContact CA-O 3.31Å; I49-Q62 HydrophobicContact CB-CB 4.23Å; I49-Q62 PolarHBondContact N-O 3.44Å; I49-Q62 PolarHBondContact O-N 3.08Å
63M95.1Very high96Very high59 Ų5964.1 Ų64.129%0.29133%0.333SS..EExtended strand (participates in β ladder)trans-116.2113.8-174.7-53.8174.593.300107.8F48 L61 V66 Y74 V94F48-M63 HydrophobicContact CD1-CB 4.12Å; F48-M63 HydrophobicContact CD1-CE 4.28Å; F48-M63 HydrophobicContact CD1-CG 3.78Å; F48-M63 HydrophobicContact CE1-CB 4.15Å; F48-M63 HydrophobicContact CE1-CE 3.5Å; F48-M63 HydrophobicContact CE1-CG 3.86Å; F48-M63 HydrophobicContact CZ-CE 4.28Å; L61-M63 HydrophobicContact CD2-CG 4.45Å; L61-M63 HydrophobicContact CG-CG 4.33Å; M63-V66 HydrophobicContact CB-CG1 3.76Å; M63-V66 HydrophobicContact CE-CG1 4.16Å; M63-Y74 HydrophobicContact CE-CD1 4.08Å; M63-Y74 HydrophobicContact CE-CD2 4.29Å; M63-Y74 HydrophobicContact CE-CE1 3.41Å; M63-Y74 VanDerWaalsContact CE-CE1 3.41Å; M63-Y74 HydrophobicContact CE-CE2 3.67Å; M63-Y74 HydrophobicContact CE-CG 4.48Å; M63-Y74 VanDerWaalsContact CE-OH 3.25Å; M63-Y74 WeakPolarHBondContact CE-OH 3.17Å; M63-V94 HydrophobicContact CE-CG1 4.23Å; M63-V94 HydrophobicContact SD-CG1 4.41Å; M63-V94 HydrophobicContact SD-CG2 4.5Å
64S90Very high96Very high69 Ų6962.5 Ų62.548%0.48332%0.324SS..  trans-114.5-42.4-168.6-54.50000113.7K47K47-S64 PolarHBondContact O-N 3.42Å
65K89.2Confident96Very high138 Ų13861.4 Ų61.460%0.632%0.315SS*.SBendtrans-117.442.2-175.6-62.4-179.3-176.4170.80111.6
66V93.3Very high95.9Very high49 Ų4957.3 Ų57.330%0.29728%0.281SS..  trans-72.2145.2-179-700000111.4F48 M63 D70 V96F48-V66 HydrophobicContact CE1-CG1 3.72Å; F48-V66 HydrophobicContact CZ-CG1 4.28Å; M63-V66 HydrophobicContact CB-CG1 3.76Å; M63-V66 HydrophobicContact CE-CG1 4.16Å; V66-D70 WeakPolarHBondContact CA-OD2 3.19Å; V66-D70 HydrophobicContact CB-CB 4.28Å; V66-D70 HydrophobicContact CG1-CB 4.28Å; V66-V96 HydrophobicContact CB-CG2 4.26Å; V66-V96 HydrophobicContact CG2-CG1 4.38Å; V66-V96 HydrophobicContact CG2-CG2 4.2Å
67R94.4Very high95.8Very high145 Ų14551.3 Ų51.355%0.54726%0.255SS..  trans-125.2171.2176.8-74.6178.1-102.6175.7-7.2109.2E69 D70R67-E69 HydrophobicContact CB-CG 3.81Å; R67-E69 IonicContact CZ-OE1 2.72Å; R67-E69 IonicContact NE-OE1 3.19Å; R67-E69 IonicContact NH1-OE1 2.84Å; R67-E69 PolarHBondContact O-N 3.33Å; R67-E69 VanDerWaalsContact O-N 3.14Å; R67-D70 PolarHBondContact N-OD2 3.19Å; R67-D70 WeakPolarHBondContact O-CB 3.46Å; R67-D70 PolarHBondContact O-N 3.26Å
68S94.7Very high95.6Very high68 Ų6849.7 Ų49.748%0.47625%0.245SC..G310 helixtrans-54.3-34.3178.654.50000113.3D70 T71 V96S68-D70 PolarHBondContact O-N 2.85Å; S68-T71 WeakPolarHBondContact O-CB 2.96Å; S68-T71 PolarHBondContact O-N 3.12Å; S68-T71 VanDerWaalsContact O-N 3.11Å; S68-T71 PolarHBondContact O-OG1 3.34Å; S68-T71 VanDerWaalsContact O-OG1 3.05Å; S68-V96 WeakPolarHBondContact CA-O 3.23Å
69E92.8Very high94.7Very high110 Ų11050.4 Ų50.451%0.51425%0.25SC..G310 helixtrans-60.7-18.5173.166.5-168.7-154.900114.6K47 R67 T71K47-E69 IonicContact NZ-OE1 2.74Å; K47-E69 PolarHBondContact NZ-OE1 3.05Å; R67-E69 HydrophobicContact CB-CG 3.81Å; R67-E69 IonicContact CZ-OE1 2.72Å; R67-E69 IonicContact NE-OE1 3.19Å; R67-E69 IonicContact NH1-OE1 2.84Å; R67-E69 PolarHBondContact O-N 3.33Å; R67-E69 VanDerWaalsContact O-N 3.14Å; E69-T71 VanDerWaalsContact C-N 3.3Å
70D95.2Very high93.3Very high1 Ų153.8 Ų53.81%0.00527%0.268CS..G310 helixtrans-88.84.6177.9-58.1-56.6000112.3R18 K47 F48 V66 R67 S68 A72 Y74R18-D70 IonicContact CZ-OD1 3.64Å; R18-D70 IonicContact NH1-OD1 3.74Å; R18-D70 PolarHBondContact NH1-OD1 3.07Å; R18-D70 IonicContact NH2-OD1 2.85Å; K47-D70 IonicContact NZ-OD1 3.33Å; K47-D70 PolarHBondContact NZ-OD1 3.4Å; K47-D70 IonicContact NZ-OD2 2.79Å; K47-D70 PolarHBondContact NZ-OD2 3.12Å; F48-D70 HydrophobicContact CZ-CB 4.49Å; V66-D70 WeakPolarHBondContact CA-OD2 3.19Å; V66-D70 HydrophobicContact CB-CB 4.28Å; V66-D70 HydrophobicContact CG1-CB 4.28Å; R67-D70 PolarHBondContact N-OD2 3.19Å; R67-D70 WeakPolarHBondContact O-CB 3.46Å; R67-D70 PolarHBondContact O-N 3.26Å; S68-D70 PolarHBondContact O-N 2.85Å; D70-A72 PolarHBondContact O-N 2.74Å; D70-Y74 PolarHBondContact O-OH 2.98Å
71T97.2Very high91.8Very high30 Ų3054.2 Ų54.218%0.18430%0.295CS..  trans-62.1116.3170.6-66.90000110.5P21 S68 E69 V94 T95 V96P21-T71 WeakPolarHBondContact CD-O 3.32Å; S68-T71 WeakPolarHBondContact O-CB 2.96Å; S68-T71 PolarHBondContact O-N 3.12Å; S68-T71 VanDerWaalsContact O-N 3.11Å; S68-T71 PolarHBondContact O-OG1 3.34Å; S68-T71 VanDerWaalsContact O-OG1 3.05Å; E69-T71 VanDerWaalsContact C-N 3.3Å; T71-V94 WeakPolarHBondContact CA-O 3.28Å; T71-T95 HydrophobicContact CG2-CG2 4.31Å; T71-V96 PolarHBondContact OG1-N 3.13Å; T71-V96 PolarHBondContact OG1-O 2.74Å
72A97.6Very high89.9Confident1 Ų155.9 Ų55.91%0.00831%0.305CS..EExtended strand (participates in β ladder)trans-163.8165.4-174.400000111.9R18 Q19 A20 D70 Y74 V94R18-A72 HydrophobicContact CB-CB 4Å; Q19-A72 WeakPolarHBondContact O-CA 3.25Å; Q19-A72 VanDerWaalsContact O-CB 3.29Å; Q19-A72 WeakPolarHBondContact O-CB 3.45Å; A20-A72 HydrophobicContact CB-CB 4.39Å; D70-A72 PolarHBondContact O-N 2.74Å; A72-Y74 HydrophobicContact CB-CD2 4.24Å; A72-Y74 HydrophobicContact CB-CE2 3.73Å; A72-Y74 VanDerWaalsContact O-CD2 3.28Å; A72-Y74 WeakPolarHBondContact O-CD2 3.49Å; A72-V94 PolarHBondContact N-O 3.07Å; A72-V94 VanDerWaalsContact N-O 3.12Å; A72-V94 PolarHBondContact O-N 3.04Å
73L98.1Very high87.9Confident61 Ų6155.1 Ų55.132%0.31931%0.309SS..EExtended strand (participates in β ladder)trans-77.5131.4158.8-78.6159.9000109.1R18 Q19 Y75 T92 L93R18-L73 CarbonylContact C-O 3.4Å; R18-L73 WeakPolarHBondContact CA-O 3.13Å; Q19-L73 PolarHBondContact N-O 2.81Å; Q19-L73 PolarHBondContact O-N 3.12Å; L73-Y75 HydrophobicContact CB-CE2 3.56Å; L73-Y75 WeakPolarHBondContact CB-OH 3.41Å; L73-Y75 VanDerWaalsContact CD1-OH 3.31Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.45Å; L73-T92 CarbonylContact C-O 3.58Å; L73-T92 WeakPolarHBondContact CA-O 3.44Å; L73-L93 HydrophobicContact CD2-CB 3.94Å; L73-L93 HydrophobicContact CG-CD1 4.43Å
74Y98Very high86.1Confident8 Ų862.8 Ų62.83%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-113.8126.6180-75-100000110.3R18 I28 F48 L61 M63 D70 A72 G91 T92 V94R18-Y74 HydrophobicContact CB-CD1 3.93Å; R18-Y74 HydrophobicContact CB-CE1 3.88Å; R18-Y74 HydrophobicContact CB-CG 4.29Å; I28-Y74 HydrophobicContact CD1-CD1 3.7Å; I28-Y74 HydrophobicContact CD1-CE1 3.53Å; F48-Y74 HydrophobicContact CE1-CE1 4.28Å; F48-Y74 HydrophobicContact CZ-CE1 4.2Å; F48-Y74 WeakPolarHBondContact CZ-OH 3.36Å; L61-Y74 HydrophobicContact CD2-CD1 3.66Å; L61-Y74 HydrophobicContact CD2-CE1 3.97Å; M63-Y74 HydrophobicContact CE-CD1 4.08Å; M63-Y74 HydrophobicContact CE-CD2 4.29Å; M63-Y74 HydrophobicContact CE-CE1 3.41Å; M63-Y74 VanDerWaalsContact CE-CE1 3.41Å; M63-Y74 HydrophobicContact CE-CE2 3.67Å; M63-Y74 HydrophobicContact CE-CG 4.48Å; M63-Y74 VanDerWaalsContact CE-OH 3.25Å; M63-Y74 WeakPolarHBondContact CE-OH 3.17Å; D70-Y74 PolarHBondContact O-OH 2.98Å; A72-Y74 HydrophobicContact CB-CD2 4.24Å; A72-Y74 HydrophobicContact CB-CE2 3.73Å; A72-Y74 VanDerWaalsContact O-CD2 3.28Å; A72-Y74 WeakPolarHBondContact O-CD2 3.49Å; Y74-G91 CarbonylContact O-C 3.54Å; Y74-G91 VanDerWaalsContact O-CA 3.24Å; Y74-G91 WeakPolarHBondContact O-CA 3.27Å; Y74-T92 PolarHBondContact N-O 3.43Å; Y74-T92 PolarHBondContact O-N 3.06Å; Y74-V94 HydrophobicContact CD2-CB 3.83Å; Y74-V94 HydrophobicContact CD2-CG2 3.66Å; Y74-V94 HydrophobicContact CE2-CB 3.82Å; Y74-V94 HydrophobicContact CE2-CG2 4.1Å; Y74-V94 HydrophobicContact CG-CG2 4.39Å
75Y97.4Very high84.6Confident35 Ų3566 Ų6614%0.13734%0.341CS..EExtended strand (participates in β ladder)trans-120.8136.9-176.2-53.3-91.4000110.1W16 V17 Q19 L25 L73 W88 G91W16-Y75 WeakPolarHBondContact CA-O 3.41Å; W16-Y75 VanDerWaalsContact CE3-C 3.47Å; V17-Y75 PolarHBondContact N-O 3.02Å; V17-Y75 PolarHBondContact O-N 2.86Å; Q19-Y75 HydrophobicContact CB-CE2 4.08Å; L25-Y75 HydrophobicContact CD2-CD2 4.41Å; L25-Y75 HydrophobicContact CD2-CE2 4.29Å; L73-Y75 HydrophobicContact CB-CE2 3.56Å; L73-Y75 WeakPolarHBondContact CB-OH 3.41Å; L73-Y75 VanDerWaalsContact CD1-OH 3.31Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.45Å; Y75-W88 HydrophobicContact CD1-CE3 4.4Å; Y75-W88 HydrophobicContact CD2-CZ3 4.47Å; Y75-W88 HydrophobicContact CG-CE3 4.03Å; Y75-W88 HydrophobicContact CG-CZ3 4.2Å; Y75-G91 VanDerWaalsContact CE1-CA 3.5Å
76C96.1Very high83.7Confident11 Ų1160.2 Ų60.27%0.07432%0.318CS..EExtended strand (participates in β ladder)trans-86.9145.5158.454.60000109.1C2 S15 W16 L59 G89C2-C76 HydrophobicContact CB-CB 3.38Å; C2-C76 WeakPolarHBondContact CB-SG 3.34Å; C2-C76 WeakPolarHBondContact SG-CB 3.35Å; C2-C76 CovalentContact SG-SG 2.01Å; C2-C76 PolarHBondContact SG-SG 3.17Å; S15-C76 CarbonylContact O-C 3.6Å; S15-C76 VanDerWaalsContact O-CA 3.31Å; S15-C76 WeakPolarHBondContact O-CA 3.2Å; W16-C76 HydrophobicContact CE3-CB 4.38Å; W16-C76 HydrophobicContact CH2-CB 4.16Å; W16-C76 HydrophobicContact CZ2-CB 4.38Å; W16-C76 HydrophobicContact CZ3-CB 4.16Å; L59-C76 HydrophobicContact CD2-CB 4.06Å; C76-G89 PolarHBondContact O-N 3.48Å
77A94.7Very high83.5Confident4 Ų464.6 Ų64.63%0.03333%0.331CS..EExtended strand (participates in β ladder)trans-140.1145.8176.700000111.2S15 A86 Y87 W88S15-A77 PolarHBondContact N-O 3.1Å; S15-A77 PolarHBondContact O-N 2.8Å; A77-A86 HydrophobicContact CB-CB 4.21Å; A77-Y87 CarbonylContact C-O 3.57Å; A77-Y87 WeakPolarHBondContact CA-O 3.24Å; A77-W88 HydrophobicContact CB-CD2 3.98Å; A77-W88 HydrophobicContact CB-CE3 4.07Å; A77-W88 HydrophobicContact CB-CH2 4.47Å; A77-W88 HydrophobicContact CB-CZ2 4.39Å; A77-W88 HydrophobicContact CB-CZ3 4.33Å
78R92Very high83.4Confident28 Ų2862.6 Ų62.611%0.10632%0.323CS..EExtended strand (participates in β ladder)trans-102.3107.7167.6-174.3-165.686.3-171.610.5108.6F7 Y12 M14 A86 Y87F7-R78 VanDerWaalsContact CB-NH1 3.3Å; F7-R78 HydrophobicContact CE2-CG 4.07Å; F7-R78 HydrophobicContact CZ-CB 4.19Å; F7-R78 HydrophobicContact CZ-CG 4.23Å; Y12-R78 HydrophobicContact CD1-CG 4.43Å; Y12-R78 HydrophobicContact CG-CG 4.13Å; M14-R78 HydrophobicContact CE-CB 4.21Å; M14-R78 HydrophobicContact SD-CB 3.83Å; M14-R78 HydrophobicContact SD-CG 3.91Å; R78-A86 WeakPolarHBondContact O-CA 3.46Å; R78-A86 VanDerWaalsContact O-CB 3.3Å; R78-A86 WeakPolarHBondContact O-CB 3.08Å; R78-Y87 VanDerWaalsContact CZ-CD2 3.44Å; R78-Y87 PolarHBondContact N-O 3.18Å; R78-Y87 VanDerWaalsContact NH2-CD2 3.27Å; R78-Y87 PolarHBondContact O-N 3.04Å
79P79.9Confident83.4Confident30 Ų3060.5 Ų60.520%0.19531%0.312CS..  trans-63137.7173.4-14.929.1000110W13 S15W13-P79 VanDerWaalsContact O-CD 3.3Å; W13-P79 WeakPolarHBondContact O-CD 3.41Å; S15-P79 WeakPolarHBondContact OG-CG 3.33Å
80D70Confident83.5Confident71 Ų7164.3 Ų64.338%0.3833%0.33SS..  trans-107.135.6175.769.8-25.3000111.7N82 F85D80-N82 PolarHBondContact O-N 3.11Å; D80-N82 PolarHBondContact OD1-N 3.2Å; D80-F85 VanDerWaalsContact CG-C 3.49Å; D80-F85 WeakPolarHBondContact OD1-CB 3.22Å; D80-F85 WeakPolarHBondContact OD2-CB 3.4Å; D80-F85 VanDerWaalsContact OD2-O 3.05Å
81G65.9Low83.5Confident85 Ų8565.6 Ų65.688%0.87634%0.343SS*.SBendtrans79.4-9.9-172.400000113.5
82N59.2Low83.6Confident59 Ų5968.4 Ų68.432%0.31636%0.361SS..SBendtrans-132.8119.2170.1-174.8-23.3000109.9D80 W84 F85D80-N82 PolarHBondContact O-N 3.11Å; D80-N82 PolarHBondContact OD1-N 3.2Å; N82-W84 PolarHBondContact O-N 3.27Å; N82-W84 WeakPolarHBondContact OD1-CB 3.35Å; N82-W84 PolarHBondContact OD1-N 2.95Å; N82-F85 HydrophobicContact CB-CD2 4.04Å; N82-F85 PolarHBondContact O-N 2.63Å
83P55.2Low83.6Confident96 Ų9673.5 Ų73.562%0.62339%0.387SS*.G310 helixtrans-59.2-18.7-177.923.1-32.8000114.1
84W57Low83.5Confident219 Ų21972.3 Ų72.383%0.8338%0.383SS*.G310 helixtrans-79.1-20.6178.3-57.5108.2000114.3N82N82-W84 PolarHBondContact O-N 3.27Å; N82-W84 WeakPolarHBondContact OD1-CB 3.35Å; N82-W84 PolarHBondContact OD1-N 2.95Å
85F58.2Low83.5Confident138 Ų13876.9 Ų76.961%0.60541%0.411SS*.G310 helixtrans-113.522.3-178.2-63.3-80.1000112.6D80 N82D80-F85 VanDerWaalsContact CG-C 3.49Å; D80-F85 WeakPolarHBondContact OD1-CB 3.22Å; D80-F85 WeakPolarHBondContact OD2-CB 3.4Å; D80-F85 VanDerWaalsContact OD2-O 3.05Å; N82-F85 HydrophobicContact CB-CD2 4.04Å; N82-F85 PolarHBondContact O-N 2.63Å
86A71.4Confident83.3Confident15 Ų1576.7 Ų76.712%0.12441%0.414CS..  trans-64.5149.7177.100000112.4A77 R78 W88A77-A86 HydrophobicContact CB-CB 4.21Å; R78-A86 WeakPolarHBondContact O-CA 3.46Å; R78-A86 VanDerWaalsContact O-CB 3.3Å; R78-A86 WeakPolarHBondContact O-CB 3.08Å; A86-W88 PolarHBondContact O-NE1 2.96Å
87Y88.4Confident83.1Confident142 Ų14281.1 Ų81.156%0.55745%0.445SS*.EExtended strand (participates in β ladder)trans-83.5121.7169.5-68.3-104.5000108.3A77 R78A77-Y87 CarbonylContact C-O 3.57Å; A77-Y87 WeakPolarHBondContact CA-O 3.24Å; R78-Y87 VanDerWaalsContact CZ-CD2 3.44Å; R78-Y87 PolarHBondContact N-O 3.18Å; R78-Y87 VanDerWaalsContact NH2-CD2 3.27Å; R78-Y87 PolarHBondContact O-N 3.04Å
88W92.8Very high82.4Confident102 Ų10288.3 Ų88.339%0.38650%0.504SS..EExtended strand (participates in β ladder)trans-104.5140.6-174.9-66.581.6000112.2V17 L25 Y75 A77 A86V17-W88 HydrophobicContact CB-CH2 3.85Å; V17-W88 HydrophobicContact CB-CZ3 3.62Å; V17-W88 HydrophobicContact CG1-CH2 3.79Å; V17-W88 HydrophobicContact CG1-CZ3 3.82Å; V17-W88 HydrophobicContact CG2-CH2 3.64Å; V17-W88 HydrophobicContact CG2-CZ3 3.81Å; L25-W88 HydrophobicContact CD1-CH2 4.1Å; L25-W88 HydrophobicContact CD2-CH2 4.45Å; L25-W88 HydrophobicContact CD2-CZ3 4.31Å; Y75-W88 HydrophobicContact CD1-CE3 4.4Å; Y75-W88 HydrophobicContact CD2-CZ3 4.47Å; Y75-W88 HydrophobicContact CG-CE3 4.03Å; Y75-W88 HydrophobicContact CG-CZ3 4.2Å; A77-W88 HydrophobicContact CB-CD2 3.98Å; A77-W88 HydrophobicContact CB-CE3 4.07Å; A77-W88 HydrophobicContact CB-CH2 4.47Å; A77-W88 HydrophobicContact CB-CZ2 4.39Å; A77-W88 HydrophobicContact CB-CZ3 4.33Å; A86-W88 PolarHBondContact O-NE1 2.96Å
89G94.5Very high81.9Confident25 Ų2591.4 Ų91.426%0.25852%0.524SS..  trans-68.7162.6160.200000111.2C76 G91C76-G89 PolarHBondContact O-N 3.48Å; G89-G91 PolarHBondContact O-N 2.58Å; G89-G91 VanDerWaalsContact O-N 3.13Å
90Q94.8Very high82Confident190 Ų19094.6 Ų94.689%0.88854%0.542SS*.  trans-64.4-17.6-179.8-65.7-63.5-51.700113.8
91G95.9Very high82.6Confident27 Ų2795.9 Ų95.928%0.27855%0.551SS.*  trans86.8153.2-176.500000112.9Y74 Y75 G89Y74-G91 CarbonylContact O-C 3.54Å; Y74-G91 VanDerWaalsContact O-CA 3.24Å; Y74-G91 WeakPolarHBondContact O-CA 3.27Å; Y75-G91 VanDerWaalsContact CE1-CA 3.5Å; G89-G91 PolarHBondContact O-N 2.58Å; G89-G91 VanDerWaalsContact O-N 3.13Å
92T97.8Very high83.6Confident90 Ų9096.5 Ų96.555%0.55253%0.532SS*.EExtended strand (participates in β ladder)trans-129.8129174.2-89.70000109L73 Y74 V94L73-T92 CarbonylContact C-O 3.58Å; L73-T92 WeakPolarHBondContact CA-O 3.44Å; Y74-T92 PolarHBondContact N-O 3.43Å; Y74-T92 PolarHBondContact O-N 3.06Å; T92-V94 HydrophobicContact CG2-CG2 4.06Å; T92-V94 PolarHBondContact O-N 2.94Å
93L97.7Very high85.2Confident107 Ų10798.9 Ų98.956%0.5655%0.545SS*.EExtended strand (participates in β ladder)trans-74.7124.1172.417963.1000108.8L73L73-L93 HydrophobicContact CD2-CB 3.94Å; L73-L93 HydrophobicContact CG-CD1 4.43Å
94V97.3Very high87.2Confident37 Ų3799.1 Ų99.122%0.22454%0.54CS..EExtended strand (participates in β ladder)trans-112.4121.6168.7-178.50000107.4M63 T71 A72 Y74 T92 V96M63-V94 HydrophobicContact CE-CG1 4.23Å; M63-V94 HydrophobicContact SD-CG1 4.41Å; M63-V94 HydrophobicContact SD-CG2 4.5Å; T71-V94 WeakPolarHBondContact CA-O 3.28Å; A72-V94 PolarHBondContact N-O 3.07Å; A72-V94 VanDerWaalsContact N-O 3.12Å; A72-V94 PolarHBondContact O-N 3.04Å; Y74-V94 HydrophobicContact CD2-CB 3.83Å; Y74-V94 HydrophobicContact CD2-CG2 3.66Å; Y74-V94 HydrophobicContact CE2-CB 3.82Å; Y74-V94 HydrophobicContact CE2-CG2 4.1Å; Y74-V94 HydrophobicContact CG-CG2 4.39Å; T92-V94 HydrophobicContact CG2-CG2 4.06Å; T92-V94 PolarHBondContact O-N 2.94Å; V94-V96 HydrophobicContact CG1-CG2 4.29Å
95T96.8Very high89.3Confident103 Ų10390.5 Ų90.563%0.63252%0.519SS*.  trans-109.1126.9176.2-55.30000109.3T71T71-T95 HydrophobicContact CG2-CG2 4.31Å
96V94.1Very high91.7Very high31 Ų3186.8 Ų86.819%0.18851%0.513CS..  trans-117.1116.6177.4-174.60000107.5V66 S68 T71 V94V66-V96 HydrophobicContact CB-CG2 4.26Å; V66-V96 HydrophobicContact CG2-CG1 4.38Å; V66-V96 HydrophobicContact CG2-CG2 4.2Å; S68-V96 WeakPolarHBondContact CA-O 3.23Å; T71-V96 PolarHBondContact OG1-N 3.13Å; T71-V96 PolarHBondContact OG1-O 2.74Å; V94-V96 HydrophobicContact CG1-CG2 4.29Å
97S90.8Very high93.4Very high105 Ų10592.8 Ų92.873%0.73455%0.545SS*.  trans-84.3159.3173.556.30000111.1
98A79.8Confident93.8Very high155 Ų15588.4 Ų88.4100%1.28154%0.544SS*.  trans-70.40172.200000112.1

Retrieved 98 of 98 residues in 50.1 ms (Link to these results)

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