A0A060YWL3_ONCMY Loading...

Nucleotide triphosphate diphosphatase NUDT15

May catalyze the hydrolysis of nucleoside triphosphates including dGTP, dTTP, dCTP, their oxidized forms like 8-oxo-dGTP and the prodrug thiopurine derivatives 6-thio-dGTP and 6-thio-GTP. Could also catalyze the hydrolysis of some nucleoside diphosphate derivatives. Hydrolyzes oxidized nucleosides triphosphates like 8-oxo-dGTP in vitro, but the specificity and efficiency towards these substrates are low. Therefore, the potential in vivo sanitizing role of this enzyme, that would consist in removing oxidatively damaged forms of nucleosides to prevent their incorporation into DNA, is unclear. Through the hydrolysis of thioguanosine triphosphates may participate in the catabolism of thiopurine drugs. May also have a role in DNA synthesis and cell cycle progression by stabilizing PCNA. Exhibits decapping activity towards dpCoA-capped RNAs in vitro.

AlphaFold DB , UniProt , Accession A0A060YWL3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110527216, Length 151 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
1M44.3Very low68.9Low243 Ų243159.1 Ų159.1100%1.19780%0.796SS**  091.20-72.2-175.9-88.700107.7Q3M1-Q3 PolarHBondContact O-N 2.87Å
2T47.4Very low71.3Confident137 Ų137147.5 Ų147.584%0.8475%0.747SS**  trans-73113.1175.236.70000107.8N4T2-N4 PolarHBondContact O-N 3.32Å
3Q56Low73.4Confident177 Ų177141.2 Ų141.283%0.82772%0.719SS**  trans-61.3109.9168.7-77.4-175.6-0.700107.5M1 C5M1-Q3 PolarHBondContact O-N 2.87Å; Q3-C5 VanDerWaalsContact C-N 3.26Å; Q3-C5 PolarHBondContact O-N 3.02Å
4N55.3Low75.2Confident152 Ų152131.5 Ų131.581%0.81367%0.672SS**  trans-62.391.8166.4-108.7-9.3000107.4T2 R6T2-N4 PolarHBondContact O-N 3.32Å; N4-R6 PolarHBondContact O-N 3.24Å
5C59.4Low76.8Confident113 Ų113122.9 Ų122.976%0.76463%0.629SS**  trans-66.689.3167-75.90000107.4Q3Q3-C5 VanDerWaalsContact C-N 3.26Å; Q3-C5 PolarHBondContact O-N 3.02Å
6R61.9Low78.2Confident224 Ų224115.8 Ų115.885%0.84560%0.595SS**PPolyproline II helixtrans-59125.5163.4-74.7-176.1179.4-178.2-0.1106.4N4 L8N4-R6 PolarHBondContact O-N 3.24Å; R6-L8 PolarHBondContact O-N 2.86Å
7P67.9Low79.4Confident123 Ų123108.9 Ų108.980%0.79956%0.56SS**PPolyproline II helixtrans-56.2131.1177.321.4-30.2000108.7K9P7-K9 PolarHBondContact O-N 2.82Å
8L80.9Confident80.4Confident160 Ų160102.9 Ų102.984%0.83853%0.529SS*.PPolyproline II helixtrans-57.8124.9176.5-72.4167.6000108.3R6 R10R6-L8 PolarHBondContact O-N 2.86Å; L8-R10 PolarHBondContact O-N 3.35Å
9K91Very high81.4Confident150 Ų15097.5 Ų97.565%0.65250%0.501SS*.PPolyproline II helixtrans-64127.6175-167.3177-171.21790108.2P7 Q88P7-K9 PolarHBondContact O-N 2.82Å; K9-Q88 PolarHBondContact NZ-O 3.46Å
10R95.5Very high82.2Confident214 Ų21493.5 Ų93.581%0.80848%0.481SS*.  trans-107.5156.2176-70.8-179177.1153.8-1.1110L8L8-R10 PolarHBondContact O-N 3.35Å
11P97.8Very high82.9Confident57 Ų5789.3 Ų89.337%0.3746%0.46SS..  trans-60.4146.5172.8-17.230.1000110.8H90 I92P11-H90 WeakPolarHBondContact CA-O 3.31Å; P11-H90 HydrophobicContact CB-CB 4.49Å; P11-H90 VanDerWaalsContact CG-CE1 3.48Å; P11-H90 WeakPolarHBondContact CG-CE1 3.31Å; P11-I92 HydrophobicContact CB-CG1 4.3Å
12G98.1Very high85.4Confident20 Ų2081 Ų8121%0.20643%0.426CS..EExtended strand (participates in β ladder)trans-75.4163.5162.800000111.3H90 Y91 I92G12-H90 PolarHBondContact N-O 3.44Å; G12-Y91 WeakPolarHBondContact O-CA 3.21Å; G12-I92 PolarHBondContact O-N 2.98Å
13V98.8Very high87.7Confident65 Ų6576.7 Ų76.739%0.39440%0.404SS..EExtended strand (participates in β ladder)trans-118.4127.7170.8-175.20000108.2L49 I92 I94V13-L49 HydrophobicContact CG1-CB 4.07Å; V13-L49 HydrophobicContact CG1-CD2 3.97Å; V13-L49 PolarHBondContact O-N 3.35Å; V13-I92 WeakPolarHBondContact CA-O 3.24Å; V13-I94 HydrophobicContact CG1-CD1 3.5Å
14G98.6Very high89.5Confident6 Ų671.1 Ų71.16%0.06238%0.377CS..EExtended strand (participates in β ladder)trans-132.7165.4174.800000111.9G47 I92 T93 I94G14-G47 CarbonylContact C-O 3.45Å; G14-G47 WeakPolarHBondContact CA-O 3.45Å; G14-I92 PolarHBondContact N-O 3.35Å; G14-T93 CarbonylContact O-C 3.54Å; G14-T93 VanDerWaalsContact O-CA 3.31Å; G14-T93 WeakPolarHBondContact O-CA 3.21Å; G14-I94 PolarHBondContact O-N 3.33Å
15V98.9Very high91.3Very high3 Ų368.3 Ų68.32%0.01837%0.37CS..EExtended strand (participates in β ladder)trans-120128.6173.8-179.10000108.2V17 G46 G47 L49 C58 A59 I94 M96V15-V17 HydrophobicContact CG1-CG2 4.36Å; V15-G46 CarbonylContact O-C 3.55Å; V15-G46 WeakPolarHBondContact O-CA 3.5Å; V15-G47 PolarHBondContact N-O 3.22Å; V15-G47 PolarHBondContact O-N 3.48Å; V15-G47 VanDerWaalsContact O-N 3.08Å; V15-L49 HydrophobicContact CG2-CB 4.34Å; V15-L49 HydrophobicContact CG2-CD1 4.18Å; V15-C58 HydrophobicContact CB-CB 4.26Å; V15-C58 VanDerWaalsContact CB-SG 3.57Å; V15-C58 HydrophobicContact CG2-CB 3.86Å; V15-C58 VanDerWaalsContact CG2-SG 3.52Å; V15-A59 HydrophobicContact CG1-CB 4.27Å; V15-I94 CarbonylContact C-O 3.55Å; V15-I94 VanDerWaalsContact CA-O 3.28Å; V15-I94 WeakPolarHBondContact CA-O 3.2Å; V15-I94 HydrophobicContact CG2-CB 4.44Å; V15-M96 HydrophobicContact CG1-CB 4.4Å; V15-M96 HydrophobicContact CG1-CG 3.66Å
16G98.8Very high93Very high8 Ų866 Ų668%0.08236%0.355CS..EExtended strand (participates in β ladder)trans-113.1142.6169.500000110I94 I95 M96G16-I94 PolarHBondContact N-O 2.92Å; G16-I95 WeakPolarHBondContact O-CA 3.35Å; G16-M96 PolarHBondContact O-N 3.11Å
17V98.9Very high94.8Very high0 Ų055.8 Ų55.80%032%0.318CS..EExtended strand (participates in β ladder)trans-118.4117.7-171.7-166.10000111.8V15 V19 P45 A59 V63 L71 M96V15-V17 HydrophobicContact CG1-CG2 4.36Å; V17-V19 VanDerWaalsContact C-N 3.32Å; V17-V19 HydrophobicContact CB-CG2 4.16Å; V17-V19 HydrophobicContact CG1-CG2 3.81Å; V17-V19 PolarHBondContact O-N 3.28Å; V17-P45 PolarHBondContact N-O 3.06Å; V17-A59 HydrophobicContact CG1-CB 4.38Å; V17-A59 HydrophobicContact CG2-CB 3.58Å; V17-V63 HydrophobicContact CB-CG2 3.76Å; V17-V63 HydrophobicContact CG1-CG2 3.94Å; V17-V63 HydrophobicContact CG2-CG2 3.83Å; V17-L71 HydrophobicContact CG1-CD1 3.86Å; V17-M96 CarbonylContact C-O 3.58Å; V17-M96 WeakPolarHBondContact CA-O 3.25Å
18L98.6Very high96.2Very high0 Ų050 Ų500%028%0.28CS..EExtended strand (participates in β ladder)trans-74.787.5165.6-65.6164.4000108.4V28 L44 A77 I95 M96 Q97 G98 W124 L140 F145 P147L18-V28 HydrophobicContact CD2-CG1 3.97Å; L18-V28 HydrophobicContact CD2-CG2 4.34Å; L18-L44 HydrophobicContact CD2-CD1 3.88Å; L18-L44 HydrophobicContact CD2-CD2 3.86Å; L18-L44 HydrophobicContact CG-CD1 4.07Å; L18-A77 HydrophobicContact CD1-CB 4.13Å; L18-I95 HydrophobicContact CD1-CG2 3.63Å; L18-I95 HydrophobicContact CG-CG2 3.79Å; L18-M96 PolarHBondContact N-O 3.04Å; L18-Q97 HydrophobicContact CB-CB 4.08Å; L18-Q97 HydrophobicContact CB-CG 4.07Å; L18-Q97 HydrophobicContact CD1-CB 4.48Å; L18-Q97 WeakPolarHBondContact O-CA 3.28Å; L18-Q97 WeakPolarHBondContact O-CG 3.47Å; L18-G98 PolarHBondContact O-N 3.28Å; L18-G98 VanDerWaalsContact O-N 3.11Å; L18-W124 HydrophobicContact CD2-CH2 4.42Å; L18-W124 HydrophobicContact CD2-CZ3 3.83Å; L18-L140 HydrophobicContact CD1-CD2 4.28Å; L18-L140 HydrophobicContact CD2-CD2 4.33Å; L18-F145 HydrophobicContact CD1-CD1 4.32Å; L18-F145 HydrophobicContact CD1-CE1 3.46Å; L18-F145 VanDerWaalsContact CD1-CE1 3.46Å; L18-F145 HydrophobicContact CD1-CZ 4.02Å; L18-P147 HydrophobicContact CD1-CB 4.35Å
19V98.6Very high97Very high1 Ų142.4 Ų42.41%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-79.4121.4175.8-177.10000109.1V17 V28 L29 P45 V63 L71 G98 V100 W121V17-V19 VanDerWaalsContact C-N 3.32Å; V17-V19 HydrophobicContact CB-CG2 4.16Å; V17-V19 HydrophobicContact CG1-CG2 3.81Å; V17-V19 PolarHBondContact O-N 3.28Å; V19-V28 VanDerWaalsContact O-CA 3.28Å; V19-V28 WeakPolarHBondContact O-CA 3.43Å; V19-L29 HydrophobicContact CB-CB 3.89Å; V19-L29 HydrophobicContact CG1-CB 4.36Å; V19-L29 PolarHBondContact O-N 3.19Å; V19-P45 HydrophobicContact CG2-CG 4.04Å; V19-V63 HydrophobicContact CG2-CG1 4.07Å; V19-V63 HydrophobicContact CG2-CG2 3.7Å; V19-L71 HydrophobicContact CB-CD2 4.49Å; V19-L71 HydrophobicContact CG1-CD2 3.81Å; V19-L71 HydrophobicContact CG2-CD2 4.13Å; V19-G98 WeakPolarHBondContact CA-O 3.38Å; V19-V100 HydrophobicContact CG1-CG2 3.79Å; V19-W121 HydrophobicContact CG1-CH2 3.93Å; V19-W121 HydrophobicContact CG1-CZ3 4.34Å; V19-W121 WeakPolarHBondContact O-CZ3 3.28Å
20T98.1Very high97.4Very high16 Ų1635.3 Ų35.310%0.09821%0.21CC..EExtended strand (participates in β ladder)trans-114.7156176.359.20000110.8V28 G98 E99 V100 F148T20-V28 HydrophobicContact CG2-CG2 4.26Å; T20-G98 PolarHBondContact N-O 3.44Å; T20-G98 PolarHBondContact OG1-O 3.21Å; T20-E99 CarbonylContact O-C 3.54Å; T20-E99 VanDerWaalsContact O-CA 3.28Å; T20-E99 WeakPolarHBondContact O-CA 3.43Å; T20-V100 PolarHBondContact O-N 2.76Å; T20-F148 HydrophobicContact CG2-CE1 3.58Å; T20-F148 HydrophobicContact CG2-CZ 3.71Å
21D96.9Very high97.5Very high6 Ų625.2 Ų25.23%0.03217%0.172CC..EExtended strand (participates in β ladder)trans-136.8135.5174.2-18014.3000111.5A23 H24 V100 R102 W121D21-A23 VanDerWaalsContact CG-N 3.32Å; D21-A23 PolarHBondContact O-N 3.32Å; D21-A23 PolarHBondContact OD1-N 3.32Å; D21-A23 WeakPolarHBondContact OD2-CB 3.46Å; D21-H24 HydrophobicContact CB-CB 4.43Å; D21-H24 CarbonylContact O-C 3.37Å; D21-H24 VanDerWaalsContact O-C 3.22Å; D21-H24 PolarHBondContact O-N 2.97Å; D21-H24 IonicContact OD2-CD2 3.34Å; D21-H24 PolarHBondContact OD2-CD2 3.33Å; D21-V100 HydrophobicContact CB-CB 4.18Å; D21-V100 HydrophobicContact CB-CG2 3.98Å; D21-R102 WeakPolarHBondContact OD1-CD 3.48Å; D21-W121 HydrophobicContact CB-CH2 3.48Å; D21-W121 VanDerWaalsContact CB-CH2 3.48Å; D21-W121 HydrophobicContact CB-CZ2 3.78Å; D21-W121 HydrophobicContact CB-CZ3 3.91Å
22S95.1Very high97.5Very high69 Ų6925.5 Ų25.548%0.48317%0.167SC..THydrogen-bonded Turntrans-48.7-32.3166.964.10000114.2H24 R102S22-H24 VanDerWaalsContact C-N 3.35Å; S22-R102 WeakPolarHBondContact OG-CD 3.48Å
23A96.2Very high97.4Very high46 Ų4626.2 Ų26.238%0.3816%0.164SC..THydrogen-bonded Turntrans-75.5-22.6176.500000113.6D21D21-A23 VanDerWaalsContact CG-N 3.32Å; D21-A23 PolarHBondContact O-N 3.32Å; D21-A23 PolarHBondContact OD1-N 3.32Å; D21-A23 WeakPolarHBondContact OD2-CB 3.46Å
24H94.8Very high97.2Very high60 Ų6026.9 Ų26.928%0.27816%0.161SC..EExtended strand (participates in β ladder)trans-124.272.2-173.9-62.3-75.2000109.2D21 S22 S26 C27 W121D21-H24 HydrophobicContact CB-CB 4.43Å; D21-H24 CarbonylContact O-C 3.37Å; D21-H24 VanDerWaalsContact O-C 3.22Å; D21-H24 PolarHBondContact O-N 2.97Å; D21-H24 IonicContact OD2-CD2 3.34Å; D21-H24 PolarHBondContact OD2-CD2 3.33Å; S22-H24 VanDerWaalsContact C-N 3.35Å; H24-S26 PolarHBondContact O-N 3.02Å; H24-C27 HydrophobicContact CB-CB 3.79Å; H24-C27 VanDerWaalsContact O-CB 3.29Å; H24-C27 WeakPolarHBondContact O-CB 3.47Å; H24-C27 PolarHBondContact O-N 2.92Å; H24-W121 HydrophobicContact CB-CB 4.18Å; H24-W121 HydrophobicContact CB-CD2 4.04Å; H24-W121 HydrophobicContact CB-CE3 4.2Å; H24-W121 HydrophobicContact CB-CG 4.04Å; H24-W121 AromaticContact CD2-CD1 3.34Å; H24-W121 AromaticContact CD2-CD2 3.68Å; H24-W121 AromaticContact CD2-CE2 3.5Å; H24-W121 AromaticContact CD2-CG 3.59Å; H24-W121 AromaticContact CD2-NE1 3.26Å; H24-W121 PolarHBondContact CD2-NE1 2.95Å; H24-W121 VanDerWaalsContact CD2-NE1 3.26Å; H24-W121 AromaticContact CE1-CD1 3.6Å; H24-W121 AromaticContact CG-CD1 3.72Å; H24-W121 AromaticContact CG-CD2 3.87Å; H24-W121 AromaticContact CG-CG 3.58Å; H24-W121 AromaticContact ND1-CD1 3.86Å; H24-W121 AromaticContact ND1-CG 3.91Å; H24-W121 AromaticContact NE2-CD1 3.27Å; H24-W121 VanDerWaalsContact NE2-CD1 3.27Å; H24-W121 AromaticContact NE2-CG 3.95Å; H24-W121 AromaticContact NE2-NE1 3.33Å; H24-W121 PolarHBondContact NE2-NE1 2.88Å
25S93.2Very high96.7Very high93 Ų9328.3 Ų28.365%0.6517%0.17SC*.EExtended strand (participates in β ladder)trans-54.5133.1-177.3-55.40000112C27S25-C27 PolarHBondContact O-N 3.04Å; S25-C27 VanDerWaalsContact O-N 3.12Å
26S95.4Very high96.1Very high64 Ų6432.4 Ų32.445%0.44821%0.205SC..EExtended strand (participates in β ladder)trans60.113.8-178.1-52.10000115.1H24 Q123 W124 F148H24-S26 PolarHBondContact O-N 3.02Å; S26-Q123 WeakPolarHBondContact O-CA 3.2Å; S26-W124 PolarHBondContact O-N 3.29Å; S26-F148 VanDerWaalsContact C-CZ 3.44Å; S26-F148 VanDerWaalsContact O-CE2 3.26Å; S26-F148 WeakPolarHBondContact O-CE2 3.46Å
27C97.8Very high95.4Very high11 Ų1135.8 Ų35.87%0.07422%0.219CC..EExtended strand (participates in β ladder)trans-98.6149.2174.7-63.10000112.1H24 S25 W121 T122 Q123 F148H24-C27 HydrophobicContact CB-CB 3.79Å; H24-C27 VanDerWaalsContact O-CB 3.29Å; H24-C27 WeakPolarHBondContact O-CB 3.47Å; H24-C27 PolarHBondContact O-N 2.92Å; S25-C27 PolarHBondContact O-N 3.04Å; S25-C27 VanDerWaalsContact O-N 3.12Å; C27-W121 HydrophobicContact CB-CB 4.07Å; C27-W121 HydrophobicContact CB-CE3 4.26Å; C27-T122 CarbonylContact C-O 3.37Å; C27-T122 WeakPolarHBondContact CA-O 3.13Å; C27-Q123 VanDerWaalsContact SG-CG 3.56Å; C27-F148 WeakPolarHBondContact O-CZ 3.26Å
28V98.3Very high94.8Very high0 Ų036.5 Ų36.50%023%0.227CC..EExtended strand (participates in β ladder)trans-121.7146.5168.7171.50000108.7L18 V19 T20 L30 L44 T122 W124 F127 F148L18-V28 HydrophobicContact CD2-CG1 3.97Å; L18-V28 HydrophobicContact CD2-CG2 4.34Å; V19-V28 VanDerWaalsContact O-CA 3.28Å; V19-V28 WeakPolarHBondContact O-CA 3.43Å; T20-V28 HydrophobicContact CG2-CG2 4.26Å; V28-L30 PolarHBondContact O-N 2.87Å; V28-L44 HydrophobicContact CG1-CD2 3.79Å; V28-T122 PolarHBondContact N-O 2.97Å; V28-T122 PolarHBondContact O-N 2.94Å; V28-W124 HydrophobicContact CG2-CE3 4.17Å; V28-F127 HydrophobicContact CB-CE1 4.14Å; V28-F127 HydrophobicContact CB-CZ 3.76Å; V28-F127 HydrophobicContact CG1-CZ 4.02Å; V28-F127 HydrophobicContact CG2-CZ 4.5Å; V28-F148 HydrophobicContact CG2-CE2 4.08Å; V28-F148 HydrophobicContact CG2-CZ 3.9Å
29L98.4Very high94.5Very high1 Ų144 Ų441%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-72.3121.7176.2-160.871.8000111.1V19 P45 A67 P108 W119 W121V19-L29 HydrophobicContact CB-CB 3.89Å; V19-L29 HydrophobicContact CG1-CB 4.36Å; V19-L29 PolarHBondContact O-N 3.19Å; L29-P45 HydrophobicContact CD2-CG 4.05Å; L29-A67 HydrophobicContact CD2-CB 4.08Å; L29-P108 HydrophobicContact CD1-CB 4.09Å; L29-P108 HydrophobicContact CD1-CG 3.71Å; L29-P108 HydrophobicContact CD2-CB 4Å; L29-W119 HydrophobicContact CD1-CB 3.92Å; L29-W119 HydrophobicContact CD2-CB 4.15Å; L29-W119 HydrophobicContact CD2-CD2 4.01Å; L29-W119 HydrophobicContact CD2-CE3 3.95Å; L29-W119 HydrophobicContact CD2-CG 4.11Å; L29-W119 HydrophobicContact CG-CB 4.07Å; L29-W119 HydrophobicContact CG-CD2 4.33Å; L29-W119 HydrophobicContact CG-CE3 3.91Å; L29-W119 HydrophobicContact CG-CG 4.43Å; L29-W121 HydrophobicContact CB-CE3 4.24Å; L29-W121 HydrophobicContact CB-CH2 4.38Å; L29-W121 HydrophobicContact CB-CZ3 4Å; L29-W121 HydrophobicContact CD1-CD2 3.84Å; L29-W121 HydrophobicContact CD1-CE3 4.05Å; L29-W121 HydrophobicContact CD1-CG 4.37Å; L29-W121 HydrophobicContact CD1-CH2 4.23Å; L29-W121 HydrophobicContact CD1-CZ2 4.04Å; L29-W121 HydrophobicContact CD1-CZ3 4.25Å
30L98.2Very high94.4Very high2 Ų245.5 Ų45.51%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-118.7141.6174.3-69-172.9000111.6V28 Y42 Q43 L44 W119 T120 T122 F127 L137V28-L30 PolarHBondContact O-N 2.87Å; L30-Y42 HydrophobicContact CB-CD1 4.36Å; L30-Q43 WeakPolarHBondContact CA-O 3.46Å; L30-L44 HydrophobicContact CD2-CD2 3.97Å; L30-W119 VanDerWaalsContact C-CE3 3.49Å; L30-W119 CarbonylContact O-C 3.46Å; L30-W119 WeakPolarHBondContact O-CA 3.38Å; L30-T120 PolarHBondContact N-O 3.04Å; L30-T120 PolarHBondContact O-N 3.49Å; L30-T122 HydrophobicContact CD1-CG2 4.11Å; L30-F127 HydrophobicContact CD1-CD1 3.92Å; L30-F127 HydrophobicContact CD1-CD2 4.16Å; L30-F127 HydrophobicContact CD1-CE1 3.66Å; L30-F127 HydrophobicContact CD1-CE2 3.92Å; L30-F127 HydrophobicContact CD1-CG 4.15Å; L30-F127 HydrophobicContact CD1-CZ 3.65Å; L30-F127 HydrophobicContact CD2-CE1 4.42Å; L30-F127 HydrophobicContact CD2-CE2 3.81Å; L30-F127 HydrophobicContact CD2-CZ 3.63Å; L30-F127 HydrophobicContact CG-CE1 3.98Å; L30-F127 HydrophobicContact CG-CE2 4.22Å; L30-F127 HydrophobicContact CG-CZ 3.69Å; L30-L137 HydrophobicContact CD2-CD2 3.75Å
31G97.9Very high94.4Very high1 Ų145.8 Ų45.81%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-120.8153.3171.600000111.2Y42 Q43 N116 G118 W119G31-Y42 CarbonylContact O-C 3.57Å; G31-Y42 VanDerWaalsContact O-CA 3.24Å; G31-Y42 WeakPolarHBondContact O-CA 3.33Å; G31-Q43 PolarHBondContact N-O 3.04Å; G31-Q43 PolarHBondContact O-N 2.86Å; G31-N116 VanDerWaalsContact C-OD1 3.29Å; G31-N116 VanDerWaalsContact CA-OD1 3.32Å; G31-N116 WeakPolarHBondContact CA-OD1 3.41Å; G31-G118 VanDerWaalsContact CA-O 3.24Å; G31-G118 WeakPolarHBondContact CA-O 3.48Å; G31-W119 VanDerWaalsContact CA-CE3 3.49Å; G31-W119 VanDerWaalsContact CA-CZ3 3.49Å; G31-W119 VanDerWaalsContact N-CE3 3.35Å; G31-W119 VanDerWaalsContact N-CZ3 3.29Å
32K97.5Very high94.4Very high64 Ų6448.9 Ų48.928%0.27829%0.289SS..EExtended strand (participates in β ladder)trans-105118177.2-169.6175.2175.6-168.50110.9G40 Y42 N116 E117K32-G40 WeakPolarHBondContact CE-O 3.34Å; K32-Y42 HydrophobicContact CB-CD1 4.24Å; K32-Y42 HydrophobicContact CB-CE1 4.13Å; K32-Y42 HydrophobicContact CD-CE1 4.37Å; K32-Y42 HydrophobicContact CG-CE1 4.47Å; K32-N116 PolarHBondContact N-OD1 3.12Å; K32-N116 PolarHBondContact O-OD1 3.02Å; K32-E117 HydrophobicContact CB-CB 4.2Å; K32-E117 WeakPolarHBondContact CD-OE2 3.39Å; K32-E117 IonicContact NZ-OE2 3.73Å; K32-E117 PolarHBondContact O-N 3.38Å
33R96.9Very high94.6Very high34 Ų3446 Ų4613%0.12827%0.268CS..EExtended strand (participates in β ladder)trans-65.2131.9-171.7-73-179.866.485.8-2.1112.9M37 G38 G40 T41 Q43R33-M37 VanDerWaalsContact CZ-O 3.27Å; R33-M37 PolarHBondContact NE-O 3.15Å; R33-M37 PolarHBondContact NH2-O 2.74Å; R33-G38 WeakPolarHBondContact CB-O 3.37Å; R33-G40 PolarHBondContact O-N 3.19Å; R33-T41 PolarHBondContact N-O 3.25Å; R33-Q43 HydrophobicContact CG-CB 3.94Å; R33-Q43 HydrophobicContact CG-CG 3.81Å
34K95.1Very high94.7Very high79 Ų7944.5 Ų44.534%0.34325%0.253SS..  trans-99.9-16164.4-65.8-179.8-179.7166.20113.1P113 E114 K115 N116 E117K34-P113 VanDerWaalsContact CD-O 3.32Å; K34-P113 WeakPolarHBondContact CD-O 3.32Å; K34-P113 PolarHBondContact NZ-O 3.31Å; K34-E114 WeakPolarHBondContact CB-O 3.49Å; K34-K115 PolarHBondContact N-O 2.81Å; K34-N116 WeakPolarHBondContact CE-O 3.28Å; K34-N116 PolarHBondContact NZ-O 2.72Å; K34-E117 HydrophobicContact CD-CG 4.22Å; K34-E117 HydrophobicContact CG-CG 3.89Å
35S88.2Confident94.9Very high36 Ų3641.7 Ų41.725%0.25224%0.24SC..SBendtrans-57.3150.6178.1-49.40000112.4M37 K39S35-M37 VanDerWaalsContact C-N 3.29Å; S35-M37 PolarHBondContact O-N 2.92Å; S35-K39 VanDerWaalsContact O-CA 3.29Å; S35-K39 WeakPolarHBondContact O-CA 3.01Å; S35-K39 VanDerWaalsContact O-CB 3.25Å; S35-K39 WeakPolarHBondContact O-CB 3.5Å; S35-K39 PolarHBondContact O-N 3.46Å
36A84.6Confident95.1Very high90 Ų9038 Ų3874%0.74422%0.217SC*.SBendtrans-57-40.9-178.200000113.1
37M85.3Confident95.2Very high78 Ų7836 Ų3638%0.38421%0.206SC..THydrogen-bonded Turntrans-80.8121.8174.7-61.1-75.967.800110.6R33 S35 K39 E87R33-M37 VanDerWaalsContact CZ-O 3.27Å; R33-M37 PolarHBondContact NE-O 3.15Å; R33-M37 PolarHBondContact NH2-O 2.74Å; S35-M37 VanDerWaalsContact C-N 3.29Å; S35-M37 PolarHBondContact O-N 2.92Å; M37-K39 VanDerWaalsContact C-N 3.33Å; M37-E87 HydrophobicContact CE-CB 4.5Å
38G85.5Confident95.3Very high16 Ų1640.6 Ų40.617%0.16523%0.227CC..THydrogen-bonded Turntrans67.428-177.500000114R33 G40 T41R33-G38 WeakPolarHBondContact CB-O 3.37Å; G38-G40 PolarHBondContact O-N 3.02Å; G38-T41 WeakPolarHBondContact O-CB 3.45Å; G38-T41 PolarHBondContact O-N 3.25Å; G38-T41 PolarHBondContact O-OG1 3.13Å
39K93.5Very high95.3Very high158 Ų15842.7 Ų42.769%0.68724%0.238SC*.THydrogen-bonded Turntrans-53.1130.6179.3-170.8174.2177.2178.30111.2S35 M37 T41S35-K39 VanDerWaalsContact O-CA 3.29Å; S35-K39 WeakPolarHBondContact O-CA 3.01Å; S35-K39 VanDerWaalsContact O-CB 3.25Å; S35-K39 WeakPolarHBondContact O-CB 3.5Å; S35-K39 PolarHBondContact O-N 3.46Å; M37-K39 VanDerWaalsContact C-N 3.33Å; K39-T41 VanDerWaalsContact C-N 3.27Å; K39-T41 PolarHBondContact O-N 2.94Å
40G95.4Very high95.3Very high32 Ų3248.1 Ų48.133%0.3326%0.263SS..THydrogen-bonded Turntrans82.8-5.7179.800000115K32 R33 G38K32-G40 WeakPolarHBondContact CE-O 3.34Å; R33-G40 PolarHBondContact O-N 3.19Å; G38-G40 PolarHBondContact O-N 3.02Å
41T97.6Very high95.3Very high22 Ų2258.4 Ų58.414%0.13531%0.308CS..  trans-83.8157.5174.565.80000111.9R33 G38 K39 Q132 F134R33-T41 PolarHBondContact N-O 3.25Å; G38-T41 WeakPolarHBondContact O-CB 3.45Å; G38-T41 PolarHBondContact O-N 3.25Å; G38-T41 PolarHBondContact O-OG1 3.13Å; K39-T41 VanDerWaalsContact C-N 3.27Å; K39-T41 PolarHBondContact O-N 2.94Å; T41-Q132 CarbonylContact C-O 3.43Å; T41-Q132 WeakPolarHBondContact CA-O 3.39Å; T41-Q132 VanDerWaalsContact CB-O 3.31Å; T41-Q132 WeakPolarHBondContact CB-O 3.25Å; T41-F134 WeakPolarHBondContact OG1-CA 3.24Å
42Y98.4Very high95.3Very high71 Ų7162 Ų6228%0.27835%0.345SS..EExtended strand (participates in β ladder)trans-88.2135.4176-68.9-90.3000111.7L30 G31 K32 P128 Q132 F134L30-Y42 HydrophobicContact CB-CD1 4.36Å; G31-Y42 CarbonylContact O-C 3.57Å; G31-Y42 VanDerWaalsContact O-CA 3.24Å; G31-Y42 WeakPolarHBondContact O-CA 3.33Å; K32-Y42 HydrophobicContact CB-CD1 4.24Å; K32-Y42 HydrophobicContact CB-CE1 4.13Å; K32-Y42 HydrophobicContact CD-CE1 4.37Å; K32-Y42 HydrophobicContact CG-CE1 4.47Å; Y42-P128 HydrophobicContact CD1-CG 4.47Å; Y42-P128 HydrophobicContact CD2-CB 3.99Å; Y42-P128 HydrophobicContact CD2-CG 3.48Å; Y42-P128 VanDerWaalsContact CD2-CG 3.48Å; Y42-P128 HydrophobicContact CE2-CB 4.3Å; Y42-P128 HydrophobicContact CE2-CG 3.74Å; Y42-P128 HydrophobicContact CG-CG 3.87Å; Y42-Q132 PolarHBondContact N-O 2.99Å; Y42-F134 WeakPolarHBondContact O-CB 3.32Å; Y42-F134 PolarHBondContact O-N 3.41Å
43Q98.2Very high95.4Very high8 Ų860.8 Ų60.84%0.03734%0.34CS..EExtended strand (participates in β ladder)trans-127.5160-177.271.8169.231.400112.3L30 G31 R33 F134L30-Q43 WeakPolarHBondContact CA-O 3.46Å; G31-Q43 PolarHBondContact N-O 3.04Å; G31-Q43 PolarHBondContact O-N 2.86Å; R33-Q43 HydrophobicContact CG-CB 3.94Å; R33-Q43 HydrophobicContact CG-CG 3.81Å; Q43-F134 HydrophobicContact CB-CB 4.1Å; Q43-F134 HydrophobicContact CB-CD1 4.49Å
44L98.5Very high95.5Very high15 Ų1562.1 Ų62.18%0.07935%0.352CS..  trans-76.5155.8157.6-57.8-180000109.6L18 V28 L30 I95 L137L18-L44 HydrophobicContact CD2-CD1 3.88Å; L18-L44 HydrophobicContact CD2-CD2 3.86Å; L18-L44 HydrophobicContact CG-CD1 4.07Å; V28-L44 HydrophobicContact CG1-CD2 3.79Å; L30-L44 HydrophobicContact CD2-CD2 3.97Å; L44-I95 HydrophobicContact CD1-CD1 4.4Å; L44-I95 HydrophobicContact CD1-CG2 4.41Å; L44-L137 HydrophobicContact CD1-CD1 4.11Å; L44-L137 HydrophobicContact CD2-CD1 4.12Å; L44-L137 HydrophobicContact CD2-CD2 4.23Å; L44-L137 HydrophobicContact CG-CD1 4.03Å; L44-L137 HydrophobicContact CG-CD2 4.23Å
45P98.5Very high95.7Very high0 Ų063.4 Ų63.40%036%0.355CS..SBendtrans-54.9147.7158.3-20.130.8000111.4V17 V19 L29 V63 E66 W119V17-P45 PolarHBondContact N-O 3.06Å; V19-P45 HydrophobicContact CG2-CG 4.04Å; L29-P45 HydrophobicContact CD2-CG 4.05Å; P45-V63 HydrophobicContact CB-CG2 3.75Å; P45-V63 HydrophobicContact CG-CG2 4.38Å; P45-E66 WeakPolarHBondContact CA-OE2 3.44Å; P45-W119 HydrophobicContact CB-CH2 3.9Å; P45-W119 HydrophobicContact CB-CZ2 4.41Å; P45-W119 HydrophobicContact CB-CZ3 4.33Å; P45-W119 HydrophobicContact CG-CE3 4.2Å; P45-W119 HydrophobicContact CG-CH2 3.64Å; P45-W119 HydrophobicContact CG-CZ2 4.28Å; P45-W119 HydrophobicContact CG-CZ3 3.57Å
46G98.3Very high96.2Very high17 Ų1765.1 Ų65.118%0.17536%0.359CS..EExtended strand (participates in β ladder)trans143.2166.617800000114.6V15 E66V15-G46 CarbonylContact O-C 3.55Å; V15-G46 WeakPolarHBondContact O-CA 3.5Å; G46-E66 PolarHBondContact N-OE2 3.21Å
47G98.1Very high96.8Very high21 Ų2165.1 Ų65.122%0.21635%0.347CS..EExtended strand (participates in β ladder)trans-160.3-147.9-176.200000112.7G14 V15 E62G14-G47 CarbonylContact C-O 3.45Å; G14-G47 WeakPolarHBondContact CA-O 3.45Å; V15-G47 PolarHBondContact N-O 3.22Å; V15-G47 PolarHBondContact O-N 3.48Å; V15-G47 VanDerWaalsContact O-N 3.08Å; G47-E62 VanDerWaalsContact CA-CD 3.41Å; G47-E62 VanDerWaalsContact CA-OE1 3.25Å; G47-E62 WeakPolarHBondContact CA-OE1 3.31Å; G47-E62 VanDerWaalsContact N-CD 3.32Å
48H98.5Very high97.5Very high108 Ų10861.4 Ų61.450%0.533%0.328SS..EExtended strand (participates in β ladder)trans-80.4138.1-175.3-71.385.4000110.7E50 R61 E62 Y91H48-E50 PolarHBondContact O-N 3.01Å; H48-R61 PolarHBondContact O-NH2 2.86Å; H48-E62 PolarHBondContact N-OE1 2.87Å; H48-Y91 AromaticContact CD2-CE1 3.77Å; H48-Y91 AromaticContact NE2-CE1 3.42Å; H48-Y91 WeakPolarHBondContact NE2-CE1 3.36Å; H48-Y91 AromaticContact NE2-CZ 3.5Å; H48-Y91 PolarHBondContact NE2-OH 3.5Å
49L98.8Very high98.1Very high44 Ų4460.6 Ų60.623%0.2332%0.32CS..PPolyproline II helixtrans-72.8122.3168.9-177.166000108.9V13 V15 E53 C58V13-L49 HydrophobicContact CG1-CB 4.07Å; V13-L49 HydrophobicContact CG1-CD2 3.97Å; V13-L49 PolarHBondContact O-N 3.35Å; V15-L49 HydrophobicContact CG2-CB 4.34Å; V15-L49 HydrophobicContact CG2-CD1 4.18Å; L49-E53 HydrophobicContact CD1-CB 4.01Å; L49-E53 HydrophobicContact CD1-CG 4.35Å; L49-C58 HydrophobicContact CD1-CB 3.71Å
50E98.6Very high98.4Very high114 Ų11456.5 Ų56.553%0.53330%0.304SS..PPolyproline II helixtrans-82.2161.6179.9-64.7-167.1163.900112.7H48 G52 E53H48-E50 PolarHBondContact O-N 3.01Å; E50-G52 PolarHBondContact O-N 2.85Å; E50-E53 HydrophobicContact CB-CB 4.13Å; E50-E53 PolarHBondContact N-OE2 3.39Å; E50-E53 WeakPolarHBondContact O-CB 3.36Å; E50-E53 PolarHBondContact O-N 2.79Å
51F98.3Very high98.5Very high219 Ų21957.1 Ų57.196%0.96130%0.296SS*.THydrogen-bonded Turntrans-67.3121.7-179.8-179.1-88.9000111E53F51-E53 VanDerWaalsContact C-N 3.29Å
52G98.3Very high98.6Very high77 Ų7757 Ų5779%0.79429%0.294SS*.THydrogen-bonded Turntrans85.21.2-179.500000114.1E50E50-G52 PolarHBondContact O-N 2.85Å
53E98.4Very high98.6Very high38 Ų3853.6 Ų53.618%0.17828%0.28CS..  trans-82.6140.9178.9-161.8176.2-143.200111.4L49 E50 F51 D57 C58 R61L49-E53 HydrophobicContact CD1-CB 4.01Å; L49-E53 HydrophobicContact CD1-CG 4.35Å; E50-E53 HydrophobicContact CB-CB 4.13Å; E50-E53 PolarHBondContact N-OE2 3.39Å; E50-E53 WeakPolarHBondContact O-CB 3.36Å; E50-E53 PolarHBondContact O-N 2.79Å; F51-E53 VanDerWaalsContact C-N 3.29Å; E53-D57 HydrophobicContact CG-CB 3.7Å; E53-C58 VanDerWaalsContact CD-CA 3.42Å; E53-C58 VanDerWaalsContact CD-CB 3.49Å; E53-C58 HydrophobicContact CG-CB 4.09Å; E53-C58 WeakPolarHBondContact OE1-CA 3.49Å; E53-C58 PolarHBondContact OE1-N 2.64Å; E53-C58 VanDerWaalsContact OE2-CB 3.23Å; E53-C58 WeakPolarHBondContact OE2-CB 3.42Å; E53-R61 IonicContact OE1-CZ 2.8Å; E53-R61 IonicContact OE1-NE 3.3Å; E53-R61 PolarHBondContact OE1-NE 3Å; E53-R61 IonicContact OE1-NH2 2.72Å; E53-R61 PolarHBondContact OE1-NH2 3.34Å; E53-R61 IonicContact OE2-CZ 3.38Å; E53-R61 IonicContact OE2-NE 2.72Å; E53-R61 IonicContact OE2-NH2 3.18Å; E53-R61 PolarHBondContact OE2-NH2 3.46Å
54T98.8Very high98.6Very high62 Ų6256.5 Ų56.538%0.3830%0.295SS..  trans-77.8164.9167.869.50000110.5E56 D57 C58T54-E56 VanDerWaalsContact C-N 3.28Å; T54-E56 PolarHBondContact O-N 3.24Å; T54-D57 WeakPolarHBondContact CG2-OD2 3.11Å; T54-D57 PolarHBondContact O-N 2.86Å; T54-D57 WeakPolarHBondContact OG1-CB 3.44Å; T54-D57 PolarHBondContact OG1-N 2.88Å; T54-D57 PolarHBondContact OG1-OD2 3.01Å; T54-C58 PolarHBondContact O-N 3.21Å; T54-C58 VanDerWaalsContact O-N 3.11Å
55W98.8Very high98.6Very high105 Ų10560 Ų6040%0.39831%0.311SS..Hα-helixtrans-68.3-35.3178.2-56.6-16.2000111.4A59 F76 I94 M96W55-A59 WeakPolarHBondContact O-CB 3.33Å; W55-A59 PolarHBondContact O-N 3.4Å; W55-F76 AromaticContact CE3-CD2 3.98Å; W55-F76 HydrophobicContact CE3-CD2 3.98Å; W55-F76 AromaticContact CZ3-CD2 3.6Å; W55-F76 HydrophobicContact CZ3-CD2 3.6Å; W55-F76 HydrophobicContact CZ3-CE2 4.08Å; W55-F76 HydrophobicContact CZ3-CG 4.34Å; W55-I94 HydrophobicContact CB-CG2 4.48Å; W55-I94 HydrophobicContact CD2-CG1 4.31Å; W55-I94 HydrophobicContact CD2-CG2 3.89Å; W55-I94 HydrophobicContact CE3-CG2 3.8Å; W55-I94 HydrophobicContact CG-CG2 4.2Å; W55-I94 HydrophobicContact CZ2-CG1 4.32Å; W55-I94 HydrophobicContact CZ3-CG2 4.32Å; W55-M96 HydrophobicContact CB-CE 3.84Å; W55-M96 HydrophobicContact CB-CG 4.34Å; W55-M96 HydrophobicContact CB-SD 3.74Å; W55-M96 HydrophobicContact CE3-SD 4.21Å
56E98.8Very high98.6Very high73 Ų7360.9 Ų60.934%0.34132%0.315SS..Hα-helixtrans-64.8-47.2175.3-65.378.3-176.800111.2T54 C58 A59 H60 V74 M96T54-E56 VanDerWaalsContact C-N 3.28Å; T54-E56 PolarHBondContact O-N 3.24Å; E56-C58 VanDerWaalsContact C-N 3.33Å; E56-C58 PolarHBondContact O-N 2.89Å; E56-A59 PolarHBondContact O-N 2.8Å; E56-H60 PolarHBondContact O-CD2 3.27Å; E56-H60 PolarHBondContact O-N 2.91Å; E56-V74 HydrophobicContact CB-CG1 4.33Å; E56-V74 HydrophobicContact CG-CG1 4.16Å; E56-M96 HydrophobicContact CG-CE 3.89Å
57D98.8Very high98.6Very high89 Ų8960 Ų6048%0.47631%0.306SS..Hα-helixtrans-60.2-44177.5-68.3-37.7000111.1E53 T54 A59 H60 R61E53-D57 HydrophobicContact CG-CB 3.7Å; T54-D57 WeakPolarHBondContact CG2-OD2 3.11Å; T54-D57 PolarHBondContact O-N 2.86Å; T54-D57 WeakPolarHBondContact OG1-CB 3.44Å; T54-D57 PolarHBondContact OG1-N 2.88Å; T54-D57 PolarHBondContact OG1-OD2 3.01Å; D57-A59 PolarHBondContact O-N 3.25Å; D57-H60 PolarHBondContact O-N 3.05Å; D57-R61 WeakPolarHBondContact O-CB 3.31Å; D57-R61 PolarHBondContact O-N 2.9Å
58C98.9Very high98.6Very high0 Ų060.2 Ų60.20%031%0.308CS..Hα-helixtrans-61.2-44.9175.7-175.70000111.8V15 L49 E53 T54 E56 H60 R61 E62V15-C58 HydrophobicContact CB-CB 4.26Å; V15-C58 VanDerWaalsContact CB-SG 3.57Å; V15-C58 HydrophobicContact CG2-CB 3.86Å; V15-C58 VanDerWaalsContact CG2-SG 3.52Å; L49-C58 HydrophobicContact CD1-CB 3.71Å; E53-C58 VanDerWaalsContact CD-CA 3.42Å; E53-C58 VanDerWaalsContact CD-CB 3.49Å; E53-C58 HydrophobicContact CG-CB 4.09Å; E53-C58 WeakPolarHBondContact OE1-CA 3.49Å; E53-C58 PolarHBondContact OE1-N 2.64Å; E53-C58 VanDerWaalsContact OE2-CB 3.23Å; E53-C58 WeakPolarHBondContact OE2-CB 3.42Å; T54-C58 PolarHBondContact O-N 3.21Å; T54-C58 VanDerWaalsContact O-N 3.11Å; E56-C58 VanDerWaalsContact C-N 3.33Å; E56-C58 PolarHBondContact O-N 2.89Å; C58-H60 VanDerWaalsContact C-N 3.34Å; C58-H60 PolarHBondContact O-N 3.22Å; C58-R61 PolarHBondContact O-N 2.84Å; C58-R61 PolarHBondContact SG-NH2 3.25Å; C58-R61 VanDerWaalsContact SG-NH2 3.42Å; C58-E62 WeakPolarHBondContact O-CB 3.42Å; C58-E62 VanDerWaalsContact O-CG 3.28Å; C58-E62 WeakPolarHBondContact O-CG 3.26Å; C58-E62 PolarHBondContact O-N 3.35Å
59A98.9Very high98.6Very high0 Ų055.2 Ų55.20%029%0.285CS..Hα-helixtrans-61.7-41.8177.300000112.2V15 V17 W55 E56 D57 V63 V74 M96V15-A59 HydrophobicContact CG1-CB 4.27Å; V17-A59 HydrophobicContact CG1-CB 4.38Å; V17-A59 HydrophobicContact CG2-CB 3.58Å; W55-A59 WeakPolarHBondContact O-CB 3.33Å; W55-A59 PolarHBondContact O-N 3.4Å; E56-A59 PolarHBondContact O-N 2.8Å; D57-A59 PolarHBondContact O-N 3.25Å; A59-V63 WeakPolarHBondContact O-CB 3.28Å; A59-V63 VanDerWaalsContact O-CG2 3.31Å; A59-V63 WeakPolarHBondContact O-CG2 3.42Å; A59-V63 PolarHBondContact O-N 3.09Å; A59-V74 HydrophobicContact CB-CG1 3.99Å; A59-M96 HydrophobicContact CB-CB 4.01Å; A59-M96 HydrophobicContact CB-CG 4.12Å
60H98.8Very high98.6Very high72 Ų7258.9 Ų58.933%0.33330%0.296SS..Hα-helixtrans-65.1-46.9175.6-79.8-66.8000112.3E56 D57 C58 M64 L71 V74E56-H60 PolarHBondContact O-CD2 3.27Å; E56-H60 PolarHBondContact O-N 2.91Å; D57-H60 PolarHBondContact O-N 3.05Å; C58-H60 VanDerWaalsContact C-N 3.34Å; C58-H60 PolarHBondContact O-N 3.22Å; H60-M64 VanDerWaalsContact O-CB 3.25Å; H60-M64 WeakPolarHBondContact O-CB 3.31Å; H60-M64 PolarHBondContact O-N 3.44Å; H60-M64 VanDerWaalsContact O-N 3.08Å; H60-L71 PolarHBondContact CE1-O 3.44Å; H60-L71 VanDerWaalsContact CE1-O 3.25Å; H60-V74 VanDerWaalsContact CE1-CG2 3.5Å; H60-V74 WeakPolarHBondContact CE1-CG2 3.45Å; H60-V74 WeakPolarHBondContact NE2-CG2 3.49Å
61R98.8Very high98.6Very high44 Ų4453.9 Ų53.917%0.16627%0.273CS..Hα-helixtrans-61.4-55-179.3176.9178.45370.52.5111H48 E53 D57 C58 V63 M64 E65H48-R61 PolarHBondContact O-NH2 2.86Å; E53-R61 IonicContact OE1-CZ 2.8Å; E53-R61 IonicContact OE1-NE 3.3Å; E53-R61 PolarHBondContact OE1-NE 3Å; E53-R61 IonicContact OE1-NH2 2.72Å; E53-R61 PolarHBondContact OE1-NH2 3.34Å; E53-R61 IonicContact OE2-CZ 3.38Å; E53-R61 IonicContact OE2-NE 2.72Å; E53-R61 IonicContact OE2-NH2 3.18Å; E53-R61 PolarHBondContact OE2-NH2 3.46Å; D57-R61 WeakPolarHBondContact O-CB 3.31Å; D57-R61 PolarHBondContact O-N 2.9Å; C58-R61 PolarHBondContact O-N 2.84Å; C58-R61 PolarHBondContact SG-NH2 3.25Å; C58-R61 VanDerWaalsContact SG-NH2 3.42Å; R61-V63 PolarHBondContact O-N 2.67Å; R61-M64 WeakPolarHBondContact O-CB 3.49Å; R61-M64 PolarHBondContact O-N 2.79Å; R61-E65 WeakPolarHBondContact CD-OE1 3.17Å; R61-E65 VanDerWaalsContact CG-CD 3.45Å; R61-E65 HydrophobicContact CG-CG 4.21Å; R61-E65 WeakPolarHBondContact CG-OE1 3.48Å; R61-E65 IonicContact NH1-OE2 3.77Å; R61-E65 PolarHBondContact NH1-OE2 3.48Å; R61-E65 WeakPolarHBondContact O-CB 3.34Å; R61-E65 WeakPolarHBondContact O-CG 3.08Å; R61-E65 PolarHBondContact O-N 2.9Å
62E98.8Very high98.5Very high19 Ų1947 Ų479%0.08924%0.243CC..Hα-helixtrans-64.2-42.7-175.2-67.5-74.917600112G47 H48 C58 M64 E65 E66G47-E62 VanDerWaalsContact CA-CD 3.41Å; G47-E62 VanDerWaalsContact CA-OE1 3.25Å; G47-E62 WeakPolarHBondContact CA-OE1 3.31Å; G47-E62 VanDerWaalsContact N-CD 3.32Å; H48-E62 PolarHBondContact N-OE1 2.87Å; C58-E62 WeakPolarHBondContact O-CB 3.42Å; C58-E62 VanDerWaalsContact O-CG 3.28Å; C58-E62 WeakPolarHBondContact O-CG 3.26Å; C58-E62 PolarHBondContact O-N 3.35Å; E62-M64 VanDerWaalsContact C-N 3.29Å; E62-M64 PolarHBondContact O-N 3.19Å; E62-E65 PolarHBondContact O-N 3.46Å; E62-E66 WeakPolarHBondContact O-CB 3.49Å; E62-E66 WeakPolarHBondContact O-CG 3.47Å; E62-E66 PolarHBondContact O-N 3.4Å
63V98.8Very high98.4Very high0 Ų049.9 Ų49.90%024%0.235CC..Hα-helixtrans-65.2-36.1176.8173.20000111.6V17 V19 P45 A59 R61 A67 G68 V69 L71V17-V63 HydrophobicContact CB-CG2 3.76Å; V17-V63 HydrophobicContact CG1-CG2 3.94Å; V17-V63 HydrophobicContact CG2-CG2 3.83Å; V19-V63 HydrophobicContact CG2-CG1 4.07Å; V19-V63 HydrophobicContact CG2-CG2 3.7Å; P45-V63 HydrophobicContact CB-CG2 3.75Å; P45-V63 HydrophobicContact CG-CG2 4.38Å; A59-V63 WeakPolarHBondContact O-CB 3.28Å; A59-V63 VanDerWaalsContact O-CG2 3.31Å; A59-V63 WeakPolarHBondContact O-CG2 3.42Å; A59-V63 PolarHBondContact O-N 3.09Å; R61-V63 PolarHBondContact O-N 2.67Å; V63-A67 CarbonylContact O-C 3.22Å; V63-A67 WeakPolarHBondContact O-CA 3.36Å; V63-A67 WeakPolarHBondContact O-CB 3.42Å; V63-A67 PolarHBondContact O-N 3.01Å; V63-G68 PolarHBondContact O-N 3.21Å; V63-V69 HydrophobicContact CG1-CB 4.31Å; V63-L71 HydrophobicContact CB-CD1 4.15Å; V63-L71 HydrophobicContact CB-CG 4.42Å; V63-L71 HydrophobicContact CG1-CD1 4.3Å; V63-L71 HydrophobicContact CG1-CD2 4.11Å; V63-L71 HydrophobicContact CG1-CG 4.11Å; V63-L71 HydrophobicContact CG2-CD1 3.99Å
64M98.4Very high98.4Very high69 Ų6949.2 Ų49.234%0.3423%0.233SC..Hα-helixtrans-67.2-46.4173.7178.757.862.500111.7H60 R61 E62 G68 R70 L111H60-M64 VanDerWaalsContact O-CB 3.25Å; H60-M64 WeakPolarHBondContact O-CB 3.31Å; H60-M64 PolarHBondContact O-N 3.44Å; H60-M64 VanDerWaalsContact O-N 3.08Å; R61-M64 WeakPolarHBondContact O-CB 3.49Å; R61-M64 PolarHBondContact O-N 2.79Å; E62-M64 VanDerWaalsContact C-N 3.29Å; E62-M64 PolarHBondContact O-N 3.19Å; M64-G68 VanDerWaalsContact O-CA 3.24Å; M64-G68 WeakPolarHBondContact O-CA 3.43Å; M64-G68 PolarHBondContact O-N 2.99Å; M64-R70 HydrophobicContact CE-CB 4.41Å; M64-R70 HydrophobicContact CE-CG 3.26Å; M64-L111 VanDerWaalsContact O-CD1 3.3Å; M64-L111 WeakPolarHBondContact O-CD1 3.45Å
65E98.3Very high98.4Very high90 Ų9051.9 Ų51.942%0.42124%0.237SC..Hα-helixtrans-64.9-43.4-177.9-75.4174.1174.200112.3R61 E62 L111R61-E65 WeakPolarHBondContact CD-OE1 3.17Å; R61-E65 VanDerWaalsContact CG-CD 3.45Å; R61-E65 HydrophobicContact CG-CG 4.21Å; R61-E65 WeakPolarHBondContact CG-OE1 3.48Å; R61-E65 IonicContact NH1-OE2 3.77Å; R61-E65 PolarHBondContact NH1-OE2 3.48Å; R61-E65 WeakPolarHBondContact O-CB 3.34Å; R61-E65 WeakPolarHBondContact O-CG 3.08Å; R61-E65 PolarHBondContact O-N 2.9Å; E62-E65 PolarHBondContact O-N 3.46Å; E65-L111 WeakPolarHBondContact O-CB 3.48Å; E65-L111 WeakPolarHBondContact O-CD1 3.4Å
66E98.3Very high98.4Very high17 Ų1751.7 Ų51.78%0.07924%0.239CC..Hα-helixtrans-91.7-33.9-174.1-56.5-170.9131.400113.7P45 G46 E62 V109 L111 W119P45-E66 WeakPolarHBondContact CA-OE2 3.44Å; G46-E66 PolarHBondContact N-OE2 3.21Å; E62-E66 WeakPolarHBondContact O-CB 3.49Å; E62-E66 WeakPolarHBondContact O-CG 3.47Å; E62-E66 PolarHBondContact O-N 3.4Å; E66-V109 VanDerWaalsContact O-O 3.12Å; E66-L111 PolarHBondContact O-N 3.46Å; E66-W119 HydrophobicContact CB-CZ2 3.79Å; E66-W119 PolarHBondContact O-NE1 2.88Å
67A98.3Very high98.3Very high0 Ų049.2 Ų49.20%023%0.231CC..Hα-helixtrans-118.7-12.3-171.800000114.4L29 V63 V69 P108 V109 W119L29-A67 HydrophobicContact CD2-CB 4.08Å; V63-A67 CarbonylContact O-C 3.22Å; V63-A67 WeakPolarHBondContact O-CA 3.36Å; V63-A67 WeakPolarHBondContact O-CB 3.42Å; V63-A67 PolarHBondContact O-N 3.01Å; A67-V69 VanDerWaalsContact C-N 3.25Å; A67-V69 PolarHBondContact O-N 2.91Å; A67-P108 HydrophobicContact CB-CB 4.37Å; A67-P108 WeakPolarHBondContact O-CA 3.42Å; A67-V109 CarbonylContact C-O 3.55Å; A67-V109 VanDerWaalsContact CA-O 3.25Å; A67-V109 WeakPolarHBondContact CA-O 3.32Å; A67-V109 PolarHBondContact O-N 3.12Å; A67-W119 HydrophobicContact CB-CD2 4.45Å; A67-W119 HydrophobicContact CB-CG 4.44Å
68G98.1Very high98.3Very high24 Ų2445.9 Ų45.925%0.24722%0.215CC..  trans70.616.4177.900000115V63 M64V63-G68 PolarHBondContact O-N 3.21Å; M64-G68 VanDerWaalsContact O-CA 3.24Å; M64-G68 WeakPolarHBondContact O-CA 3.43Å; M64-G68 PolarHBondContact O-N 2.99Å
69V98Very high98.3Very high3 Ų349.1 Ų49.12%0.01823%0.234CC..  trans-110.3144.2-174.2179.70000110.9V63 A67 V100 P108V63-V69 HydrophobicContact CG1-CB 4.31Å; A67-V69 VanDerWaalsContact C-N 3.25Å; A67-V69 PolarHBondContact O-N 2.91Å; V69-V100 HydrophobicContact CG1-CB 4.1Å; V69-V100 HydrophobicContact CG1-CG1 3.57Å; V69-V100 HydrophobicContact CG1-CG2 3.67Å; V69-P108 HydrophobicContact CG2-CB 4.04Å
70R98.5Very high98.3Very high121 Ų12149.2 Ų49.246%0.45724%0.235SC..  trans-92.7143.9171.6-67.3-171.2-178.2-138-4.6110.9M64 V100 D101 Y104M64-R70 HydrophobicContact CE-CB 4.41Å; M64-R70 HydrophobicContact CE-CG 3.26Å; R70-V100 WeakPolarHBondContact O-CA 3.42Å; R70-D101 HydrophobicContact CB-CB 4.3Å; R70-D101 PolarHBondContact O-N 3.45Å; R70-Y104 HydrophobicContact CB-CD2 4.18Å; R70-Y104 HydrophobicContact CB-CG 4.5Å; R70-Y104 HydrophobicContact CG-CD2 4.37Å; R70-Y104 HydrophobicContact CG-CG 4.35Å
71L98.6Very high98.2Very high10 Ų1050 Ų505%0.05224%0.242CC..EExtended strand (participates in β ladder)trans-105.9157.2175.7-56.2175.4000111.1V17 V19 H60 V63 V74 E99V17-L71 HydrophobicContact CG1-CD1 3.86Å; V19-L71 HydrophobicContact CB-CD2 4.49Å; V19-L71 HydrophobicContact CG1-CD2 3.81Å; V19-L71 HydrophobicContact CG2-CD2 4.13Å; H60-L71 PolarHBondContact CE1-O 3.44Å; H60-L71 VanDerWaalsContact CE1-O 3.25Å; V63-L71 HydrophobicContact CB-CD1 4.15Å; V63-L71 HydrophobicContact CB-CG 4.42Å; V63-L71 HydrophobicContact CG1-CD1 4.3Å; V63-L71 HydrophobicContact CG1-CD2 4.11Å; V63-L71 HydrophobicContact CG1-CG 4.11Å; V63-L71 HydrophobicContact CG2-CD1 3.99Å; L71-V74 HydrophobicContact CB-CG2 3.56Å; L71-V74 HydrophobicContact CD1-CG2 3.87Å; L71-V74 HydrophobicContact CG-CG2 4.4Å; L71-E99 CarbonylContact C-O 3.47Å; L71-E99 VanDerWaalsContact CA-O 3.24Å; L71-E99 WeakPolarHBondContact CA-O 3.33Å
72K98.1Very high98.2Very high75 Ų7548 Ų4833%0.32623%0.234SC..EExtended strand (participates in β ladder)trans-131.6165.3163.258.1174.4-177.71710108.6V74 E99 V100 D101K72-V74 PolarHBondContact O-N 3.47Å; K72-V74 VanDerWaalsContact O-N 3.17Å; K72-E99 WeakPolarHBondContact CE-OE1 3.45Å; K72-E99 HydrophobicContact CG-CB 4.21Å; K72-E99 WeakPolarHBondContact CG-O 3.15Å; K72-E99 PolarHBondContact N-O 2.98Å; K72-E99 IonicContact NZ-OE1 3.94Å; K72-E99 PolarHBondContact NZ-OE1 2.95Å; K72-E99 IonicContact NZ-OE2 2.79Å; K72-E99 PolarHBondContact O-N 3.45Å; K72-V100 WeakPolarHBondContact CE-O 3.25Å; K72-D101 HydrophobicContact CB-CB 4.22Å; K72-D101 HydrophobicContact CD-CB 4.39Å; K72-D101 HydrophobicContact CG-CB 4.17Å
73E95.9Very high98.1Very high137 Ų13750.8 Ų50.864%0.6425%0.249SC*.EExtended strand (participates in β ladder)trans52.936.8177.8-55.8-55.8130.900113.6R75E73-R75 PolarHBondContact O-N 2.84Å; E73-R75 PolarHBondContact O-NH1 2.76Å
74V98.4Very high97.9Very high23 Ų2354.5 Ų54.514%0.13927%0.265CS..EExtended strand (participates in β ladder)trans-66.8125178-178.10000108.9E56 A59 H60 L71 K72 M96 Q97E56-V74 HydrophobicContact CB-CG1 4.33Å; E56-V74 HydrophobicContact CG-CG1 4.16Å; A59-V74 HydrophobicContact CB-CG1 3.99Å; H60-V74 VanDerWaalsContact CE1-CG2 3.5Å; H60-V74 WeakPolarHBondContact CE1-CG2 3.45Å; H60-V74 WeakPolarHBondContact NE2-CG2 3.49Å; L71-V74 HydrophobicContact CB-CG2 3.56Å; L71-V74 HydrophobicContact CD1-CG2 3.87Å; L71-V74 HydrophobicContact CG-CG2 4.4Å; K72-V74 PolarHBondContact O-N 3.47Å; K72-V74 VanDerWaalsContact O-N 3.17Å; V74-M96 HydrophobicContact CG1-CB 4.3Å; V74-M96 HydrophobicContact CG1-CE 4.08Å; V74-Q97 CarbonylContact C-O 3.59Å; V74-Q97 VanDerWaalsContact CA-O 3.31Å; V74-Q97 WeakPolarHBondContact CA-O 3.42Å
75R98.1Very high97.7Very high119 Ų11958.1 Ų58.145%0.44929%0.285SS..EExtended strand (participates in β ladder)trans-143.6156.7-177.463.3-178.6179.2-85.90.9111.6E73 M96 Q97E73-R75 PolarHBondContact O-N 2.84Å; E73-R75 PolarHBondContact O-NH1 2.76Å; R75-M96 CarbonylContact O-C 3.46Å; R75-M96 WeakPolarHBondContact O-CA 3.23Å; R75-Q97 HydrophobicContact CG-CB 4.49Å; R75-Q97 PolarHBondContact N-O 2.81Å; R75-Q97 VanDerWaalsContact NH2-NE2 3.2Å; R75-Q97 PolarHBondContact O-N 3.08Å
76F98.4Very high97.4Very high101 Ų10160 Ų6044%0.44330%0.298SS..EExtended strand (participates in β ladder)trans-60.9136.3170175.5-98.5000111.2W55 S78 V79 I94 M96W55-F76 AromaticContact CE3-CD2 3.98Å; W55-F76 HydrophobicContact CE3-CD2 3.98Å; W55-F76 AromaticContact CZ3-CD2 3.6Å; W55-F76 HydrophobicContact CZ3-CD2 3.6Å; W55-F76 HydrophobicContact CZ3-CE2 4.08Å; W55-F76 HydrophobicContact CZ3-CG 4.34Å; F76-S78 VanDerWaalsContact CE2-C 3.48Å; F76-S78 WeakPolarHBondContact CE2-O 3.32Å; F76-S78 VanDerWaalsContact CZ-C 3.41Å; F76-V79 HydrophobicContact CE2-CB 4.39Å; F76-V79 HydrophobicContact CZ-CB 4.49Å; F76-I94 HydrophobicContact CD2-CG2 4.02Å; F76-I94 HydrophobicContact CE2-CG2 4.17Å; F76-M96 HydrophobicContact CB-SD 4.33Å; F76-M96 HydrophobicContact CD2-SD 4.44Å
77A97.6Very high97.1Very high21 Ų2162.5 Ų62.517%0.17431%0.309CS..EExtended strand (participates in β ladder)trans-117.3-51.2177.100000112.4L18 I95 Q97 F145L18-A77 HydrophobicContact CD1-CB 4.13Å; A77-I95 WeakPolarHBondContact CA-O 3.25Å; A77-I95 HydrophobicContact CB-CG2 4.17Å; A77-I95 WeakPolarHBondContact CB-O 3.45Å; A77-I95 PolarHBondContact N-O 2.61Å; A77-Q97 HydrophobicContact CB-CB 4.12Å; A77-F145 HydrophobicContact CB-CE2 4.19Å; A77-F145 HydrophobicContact CB-CZ 3.79Å; A77-F145 WeakPolarHBondContact O-CE2 3.26Å
78S98.3Very high96.8Very high19 Ų1969.1 Ų69.113%0.13334%0.34CS..EExtended strand (participates in β ladder)trans-161.7178.8178.6-167.70000111.5F76 I95 Q143F76-S78 VanDerWaalsContact CE2-C 3.48Å; F76-S78 WeakPolarHBondContact CE2-O 3.32Å; F76-S78 VanDerWaalsContact CZ-C 3.41Å; S78-I95 PolarHBondContact N-O 3.11Å; S78-I95 VanDerWaalsContact N-O 3.13Å; S78-I95 PolarHBondContact O-N 3.44Å; S78-Q143 PolarHBondContact OG-OE1 2.8Å; S78-Q143 VanDerWaalsContact OG-OE1 3.06Å
79V98.6Very high96.6Very high67 Ų6769.3 Ų69.341%0.40633%0.334SS..EExtended strand (participates in β ladder)trans-138.7137.8167.662.50000109.7F76 I92 T93 Q143F76-V79 HydrophobicContact CE2-CB 4.39Å; F76-V79 HydrophobicContact CZ-CB 4.49Å; V79-I92 HydrophobicContact CG2-CG2 3.68Å; V79-T93 WeakPolarHBondContact CA-O 3.38Å; V79-Q143 PolarHBondContact O-NE2 3Å
80V98.5Very high96.6Very high3 Ų372.1 Ų72.12%0.01835%0.347CS..EExtended strand (participates in β ladder)trans-124.9144.6-179.3-620000111.2I92 T93 P136 C139 L140V80-I92 WeakPolarHBondContact O-CA 3.2Å; V80-T93 PolarHBondContact N-O 2.72Å; V80-T93 PolarHBondContact O-N 3.17Å; V80-P136 HydrophobicContact CG2-CB 3.97Å; V80-C139 HydrophobicContact CB-CB 3.98Å; V80-C139 HydrophobicContact CG1-CB 4.11Å; V80-C139 HydrophobicContact CG2-CB 4.45Å; V80-L140 HydrophobicContact CG1-CB 4.11Å; V80-L140 HydrophobicContact CG1-CD1 4.42Å
81N98.5Very high96.6Very high89 Ų8969.1 Ų69.148%0.47634%0.336SS..EExtended strand (participates in β ladder)trans-105.3101.2172.9179.435.8000108.9I83 H90 I92N81-I83 WeakPolarHBondContact ND2-CD1 3.3Å; N81-H90 PolarHBondContact OD1-NE2 3.18Å; N81-I92 HydrophobicContact CB-CD1 3.91Å; N81-I92 WeakPolarHBondContact OD1-CD1 3.4Å
82S97.8Very high96.6Very high0 Ų071.2 Ų71.20%035%0.346CS..EExtended strand (participates in β ladder)trans-101.7108.7-170.6-58.50000110.2H90 Y91 P136S82-H90 WeakPolarHBondContact O-CA 3.18Å; S82-Y91 PolarHBondContact N-O 2.92Å; S82-Y91 PolarHBondContact O-N 3.2Å; S82-P136 VanDerWaalsContact OG-CA 3.31Å; S82-P136 WeakPolarHBondContact OG-CA 3.5Å
83I96.8Very high96.6Very high79 Ų7968.1 Ų68.141%0.40533%0.334SS..EExtended strand (participates in β ladder)trans-122123.9-175.4-58.9168.6000110.1N81 L85 H90N81-I83 WeakPolarHBondContact ND2-CD1 3.3Å; I83-L85 HydrophobicContact CG2-CD2 3.72Å; I83-L85 HydrophobicContact CG2-CG 3.92Å; I83-H90 WeakPolarHBondContact CG1-NE2 3.41Å
84K94.8Very high96.8Very high77 Ų7762 Ų6234%0.33531%0.306SS..EExtended strand (participates in β ladder)trans-137.193.7170.7-170.8167.2-172.8-171.20109.6D86 E87 Q88 Y89 L135K84-D86 WeakPolarHBondContact CG-OD1 3.45Å; K84-D86 PolarHBondContact O-N 2.89Å; K84-E87 HydrophobicContact CD-CB 4.35Å; K84-E87 HydrophobicContact CD-CG 3.94Å; K84-E87 WeakPolarHBondContact CE-OE1 3.48Å; K84-E87 HydrophobicContact CG-CB 4.14Å; K84-E87 HydrophobicContact CG-CG 4.12Å; K84-E87 IonicContact NZ-OE1 2.8Å; K84-E87 PolarHBondContact NZ-OE1 3.28Å; K84-E87 PolarHBondContact O-N 3.43Å; K84-Q88 PolarHBondContact O-N 3.42Å; K84-Y89 PolarHBondContact N-O 2.98Å; K84-Y89 PolarHBondContact O-N 2.8Å; K84-L135 HydrophobicContact CB-CD2 3.81Å
85L93.8Very high96.8Very high145 Ų14561 Ų6176%0.75930%0.299SS*.THydrogen-bonded Turntrans-67.7-36-167.2-65.4178000113.3I83 E87 Q88I83-L85 HydrophobicContact CG2-CD2 3.72Å; I83-L85 HydrophobicContact CG2-CG 3.92Å; L85-E87 VanDerWaalsContact C-N 3.29Å; L85-E87 PolarHBondContact O-N 3.06Å; L85-Q88 WeakPolarHBondContact O-CA 3.5Å; L85-Q88 PolarHBondContact O-N 3.25Å
86D92.6Very high96.8Very high130 Ų13055.3 Ų55.370%0.69528%0.278SS*.THydrogen-bonded Turntrans-63.5-33.1176.556.9-47.2000112.5K84 Q88K84-D86 WeakPolarHBondContact CG-OD1 3.45Å; K84-D86 PolarHBondContact O-N 2.89Å; D86-Q88 VanDerWaalsContact C-N 3.33Å
87E90.8Very high96.8Very high69 Ų6951.1 Ų51.132%0.32226%0.259SS..THydrogen-bonded Turntrans-90.42.6172.6-65.2-173.7-167.500113M37 K84 L85 Y89M37-E87 HydrophobicContact CE-CB 4.5Å; K84-E87 HydrophobicContact CD-CB 4.35Å; K84-E87 HydrophobicContact CD-CG 3.94Å; K84-E87 WeakPolarHBondContact CE-OE1 3.48Å; K84-E87 HydrophobicContact CG-CB 4.14Å; K84-E87 HydrophobicContact CG-CG 4.12Å; K84-E87 IonicContact NZ-OE1 2.8Å; K84-E87 PolarHBondContact NZ-OE1 3.28Å; K84-E87 PolarHBondContact O-N 3.43Å; L85-E87 VanDerWaalsContact C-N 3.29Å; L85-E87 PolarHBondContact O-N 3.06Å; E87-Y89 PolarHBondContact O-N 3.49Å; E87-Y89 VanDerWaalsContact O-N 3.15Å
88Q92.1Very high96.8Very high139 Ų13950.1 Ų50.165%0.6525%0.251SS*.THydrogen-bonded Turntrans48.534-170-54.5-171.941.800113.7K9 K84 L85 D86K9-Q88 PolarHBondContact NZ-O 3.46Å; K84-Q88 PolarHBondContact O-N 3.42Å; L85-Q88 WeakPolarHBondContact O-CA 3.5Å; L85-Q88 PolarHBondContact O-N 3.25Å; D86-Q88 VanDerWaalsContact C-N 3.33Å
89Y94.3Very high96.8Very high28 Ų2851.6 Ų51.611%0.1126%0.256CS..EExtended strand (participates in β ladder)trans-97.5124.7-179-178.8-86.3000110K84 E87 Y91 F134 L135K84-Y89 PolarHBondContact N-O 2.98Å; K84-Y89 PolarHBondContact O-N 2.8Å; E87-Y89 PolarHBondContact O-N 3.49Å; E87-Y89 VanDerWaalsContact O-N 3.15Å; Y89-Y91 HydrophobicContact CD1-CD2 4.37Å; Y89-Y91 AromaticContact CD2-CD2 3.89Å; Y89-Y91 HydrophobicContact CD2-CD2 3.89Å; Y89-Y91 HydrophobicContact CD2-CE2 4.07Å; Y89-Y91 AromaticContact CE1-CD2 3.93Å; Y89-Y91 HydrophobicContact CE1-CD2 3.93Å; Y89-Y91 HydrophobicContact CE1-CG 4.4Å; Y89-Y91 AromaticContact CE2-CD2 3.38Å; Y89-Y91 HydrophobicContact CE2-CD2 3.38Å; Y89-Y91 AromaticContact CE2-CE2 3.7Å; Y89-Y91 HydrophobicContact CE2-CE2 3.7Å; Y89-Y91 HydrophobicContact CE2-CG 4.24Å; Y89-Y91 HydrophobicContact CG-CD2 4.35Å; Y89-Y91 AromaticContact CZ-CD2 3.41Å; Y89-Y91 VanDerWaalsContact CZ-CD2 3.41Å; Y89-Y91 AromaticContact CZ-CG 3.88Å; Y89-F134 AromaticContact CE2-CZ 3.96Å; Y89-F134 HydrophobicContact CE2-CZ 3.96Å; Y89-F134 AromaticContact CZ-CZ 3.87Å; Y89-F134 WeakPolarHBondContact OH-CZ 3.46Å; Y89-L135 HydrophobicContact CD1-CD2 3.87Å; Y89-L135 HydrophobicContact CE1-CD2 4.01Å
90H97.6Very high96.8Very high63 Ų6348.4 Ų48.429%0.29224%0.237SC..EExtended strand (participates in β ladder)trans-145.9111.2171.9-171.1171.5000109.3P11 G12 N81 S82 I83P11-H90 WeakPolarHBondContact CA-O 3.31Å; P11-H90 HydrophobicContact CB-CB 4.49Å; P11-H90 VanDerWaalsContact CG-CE1 3.48Å; P11-H90 WeakPolarHBondContact CG-CE1 3.31Å; G12-H90 PolarHBondContact N-O 3.44Å; N81-H90 PolarHBondContact OD1-NE2 3.18Å; S82-H90 WeakPolarHBondContact O-CA 3.18Å; I83-H90 WeakPolarHBondContact CG1-NE2 3.41Å
91Y98.3Very high96.8Very high58 Ų5849.7 Ų49.723%0.22724%0.244CC..EExtended strand (participates in β ladder)trans-128.4139.5175-83.5-103.9000111.1G12 H48 S82 Y89G12-Y91 WeakPolarHBondContact O-CA 3.21Å; H48-Y91 AromaticContact CD2-CE1 3.77Å; H48-Y91 AromaticContact NE2-CE1 3.42Å; H48-Y91 WeakPolarHBondContact NE2-CE1 3.36Å; H48-Y91 AromaticContact NE2-CZ 3.5Å; H48-Y91 PolarHBondContact NE2-OH 3.5Å; S82-Y91 PolarHBondContact N-O 2.92Å; S82-Y91 PolarHBondContact O-N 3.2Å; Y89-Y91 HydrophobicContact CD1-CD2 4.37Å; Y89-Y91 AromaticContact CD2-CD2 3.89Å; Y89-Y91 HydrophobicContact CD2-CD2 3.89Å; Y89-Y91 HydrophobicContact CD2-CE2 4.07Å; Y89-Y91 AromaticContact CE1-CD2 3.93Å; Y89-Y91 HydrophobicContact CE1-CD2 3.93Å; Y89-Y91 HydrophobicContact CE1-CG 4.4Å; Y89-Y91 AromaticContact CE2-CD2 3.38Å; Y89-Y91 HydrophobicContact CE2-CD2 3.38Å; Y89-Y91 AromaticContact CE2-CE2 3.7Å; Y89-Y91 HydrophobicContact CE2-CE2 3.7Å; Y89-Y91 HydrophobicContact CE2-CG 4.24Å; Y89-Y91 HydrophobicContact CG-CD2 4.35Å; Y89-Y91 AromaticContact CZ-CD2 3.41Å; Y89-Y91 VanDerWaalsContact CZ-CD2 3.41Å; Y89-Y91 AromaticContact CZ-CG 3.88Å
92I98.8Very high96.7Very high54 Ų5451.1 Ų51.128%0.27724%0.242SC..EExtended strand (participates in β ladder)trans-88.3121.4154.9-55.6-58.1000106.1P11 G12 V13 G14 V79 V80 N81P11-I92 HydrophobicContact CB-CG1 4.3Å; G12-I92 PolarHBondContact O-N 2.98Å; V13-I92 WeakPolarHBondContact CA-O 3.24Å; G14-I92 PolarHBondContact N-O 3.35Å; V79-I92 HydrophobicContact CG2-CG2 3.68Å; V80-I92 WeakPolarHBondContact O-CA 3.2Å; N81-I92 HydrophobicContact CB-CD1 3.91Å; N81-I92 WeakPolarHBondContact OD1-CD1 3.4Å
93T98.8Very high96.7Very high9 Ų956 Ų566%0.05528%0.276CS..EExtended strand (participates in β ladder)trans-115.3114.9-180-50.40000109.2G14 V79 V80 I95 P136G14-T93 CarbonylContact O-C 3.54Å; G14-T93 VanDerWaalsContact O-CA 3.31Å; G14-T93 WeakPolarHBondContact O-CA 3.21Å; V79-T93 WeakPolarHBondContact CA-O 3.38Å; V80-T93 PolarHBondContact N-O 2.72Å; V80-T93 PolarHBondContact O-N 3.17Å; T93-I95 HydrophobicContact CG2-CD1 3.84Å; T93-P136 HydrophobicContact CG2-CB 3.97Å; T93-P136 HydrophobicContact CG2-CG 4.48Å
94I98.9Very high96.7Very high10 Ų1057.3 Ų57.35%0.05128%0.277CS..EExtended strand (participates in β ladder)trans-75.1129.5168-60.896.8000107.2V13 G14 V15 G16 W55 F76 M96V13-I94 HydrophobicContact CG1-CD1 3.5Å; G14-I94 PolarHBondContact O-N 3.33Å; V15-I94 CarbonylContact C-O 3.55Å; V15-I94 VanDerWaalsContact CA-O 3.28Å; V15-I94 WeakPolarHBondContact CA-O 3.2Å; V15-I94 HydrophobicContact CG2-CB 4.44Å; G16-I94 PolarHBondContact N-O 2.92Å; W55-I94 HydrophobicContact CB-CG2 4.48Å; W55-I94 HydrophobicContact CD2-CG1 4.31Å; W55-I94 HydrophobicContact CD2-CG2 3.89Å; W55-I94 HydrophobicContact CE3-CG2 3.8Å; W55-I94 HydrophobicContact CG-CG2 4.2Å; W55-I94 HydrophobicContact CZ2-CG1 4.32Å; W55-I94 HydrophobicContact CZ3-CG2 4.32Å; F76-I94 HydrophobicContact CD2-CG2 4.02Å; F76-I94 HydrophobicContact CE2-CG2 4.17Å; I94-M96 HydrophobicContact CG2-CG 4.3Å; I94-M96 HydrophobicContact CG2-SD 3.72Å
95I98.8Very high96.7Very high1 Ų158.7 Ų58.71%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-102.3117.9174.8-52.3-61.7000107.7G16 L18 L44 A77 S78 T93 L140G16-I95 WeakPolarHBondContact O-CA 3.35Å; L18-I95 HydrophobicContact CD1-CG2 3.63Å; L18-I95 HydrophobicContact CG-CG2 3.79Å; L44-I95 HydrophobicContact CD1-CD1 4.4Å; L44-I95 HydrophobicContact CD1-CG2 4.41Å; A77-I95 WeakPolarHBondContact CA-O 3.25Å; A77-I95 HydrophobicContact CB-CG2 4.17Å; A77-I95 WeakPolarHBondContact CB-O 3.45Å; A77-I95 PolarHBondContact N-O 2.61Å; S78-I95 PolarHBondContact N-O 3.11Å; S78-I95 VanDerWaalsContact N-O 3.13Å; S78-I95 PolarHBondContact O-N 3.44Å; T93-I95 HydrophobicContact CG2-CD1 3.84Å; I95-L140 HydrophobicContact CG1-CD1 4.23Å; I95-L140 HydrophobicContact CG1-CD2 4.18Å; I95-L140 HydrophobicContact CG2-CD2 3.88Å
96M98.8Very high96.7Very high0 Ų052.8 Ų52.80%026%0.264CS..EExtended strand (participates in β ladder)trans-100.7156.9171.5-56.2-59-77.600109.1V15 G16 V17 L18 W55 E56 A59 V74 R75 F76 I94V15-M96 HydrophobicContact CG1-CB 4.4Å; V15-M96 HydrophobicContact CG1-CG 3.66Å; G16-M96 PolarHBondContact O-N 3.11Å; V17-M96 CarbonylContact C-O 3.58Å; V17-M96 WeakPolarHBondContact CA-O 3.25Å; L18-M96 PolarHBondContact N-O 3.04Å; W55-M96 HydrophobicContact CB-CE 3.84Å; W55-M96 HydrophobicContact CB-CG 4.34Å; W55-M96 HydrophobicContact CB-SD 3.74Å; W55-M96 HydrophobicContact CE3-SD 4.21Å; E56-M96 HydrophobicContact CG-CE 3.89Å; A59-M96 HydrophobicContact CB-CB 4.01Å; A59-M96 HydrophobicContact CB-CG 4.12Å; V74-M96 HydrophobicContact CG1-CB 4.3Å; V74-M96 HydrophobicContact CG1-CE 4.08Å; R75-M96 CarbonylContact O-C 3.46Å; R75-M96 WeakPolarHBondContact O-CA 3.23Å; F76-M96 HydrophobicContact CB-SD 4.33Å; F76-M96 HydrophobicContact CD2-SD 4.44Å; I94-M96 HydrophobicContact CG2-CG 4.3Å; I94-M96 HydrophobicContact CG2-SD 3.72Å
97Q98.6Very high96.8Very high12 Ų1252.1 Ų52.16%0.05626%0.257CS..EExtended strand (participates in β ladder)trans-125.6134.3170.9-178.7177.1-0.100108.7L18 V74 R75 A77 P147L18-Q97 HydrophobicContact CB-CB 4.08Å; L18-Q97 HydrophobicContact CB-CG 4.07Å; L18-Q97 HydrophobicContact CD1-CB 4.48Å; L18-Q97 WeakPolarHBondContact O-CA 3.28Å; L18-Q97 WeakPolarHBondContact O-CG 3.47Å; V74-Q97 CarbonylContact C-O 3.59Å; V74-Q97 VanDerWaalsContact CA-O 3.31Å; V74-Q97 WeakPolarHBondContact CA-O 3.42Å; R75-Q97 HydrophobicContact CG-CB 4.49Å; R75-Q97 PolarHBondContact N-O 2.81Å; R75-Q97 VanDerWaalsContact NH2-NE2 3.2Å; R75-Q97 PolarHBondContact O-N 3.08Å; A77-Q97 HydrophobicContact CB-CB 4.12Å; Q97-P147 PolarHBondContact NE2-O 3.42Å
98G98.3Very high97.1Very high0 Ų050.1 Ų50.10%025%0.25CS..EExtended strand (participates in β ladder)trans-143.5150.1177.900000111.2L18 V19 T20L18-G98 PolarHBondContact O-N 3.28Å; L18-G98 VanDerWaalsContact O-N 3.11Å; V19-G98 WeakPolarHBondContact CA-O 3.38Å; T20-G98 PolarHBondContact N-O 3.44Å; T20-G98 PolarHBondContact OG1-O 3.21Å
99E98.3Very high97.4Very high50 Ų5047.3 Ų47.323%0.23424%0.242CC..EExtended strand (participates in β ladder)trans-98.8141.8175.9-169.3-169.8141.800110.1T20 L71 K72 D101T20-E99 CarbonylContact O-C 3.54Å; T20-E99 VanDerWaalsContact O-CA 3.28Å; T20-E99 WeakPolarHBondContact O-CA 3.43Å; L71-E99 CarbonylContact C-O 3.47Å; L71-E99 VanDerWaalsContact CA-O 3.24Å; L71-E99 WeakPolarHBondContact CA-O 3.33Å; K72-E99 WeakPolarHBondContact CE-OE1 3.45Å; K72-E99 HydrophobicContact CG-CB 4.21Å; K72-E99 WeakPolarHBondContact CG-O 3.15Å; K72-E99 PolarHBondContact N-O 2.98Å; K72-E99 IonicContact NZ-OE1 3.94Å; K72-E99 PolarHBondContact NZ-OE1 2.95Å; K72-E99 IonicContact NZ-OE2 2.79Å; K72-E99 PolarHBondContact O-N 3.45Å; E99-D101 PolarHBondContact O-N 3.05Å
100V98.4Very high97.5Very high0 Ų048 Ų480%025%0.248CC..EExtended strand (participates in β ladder)trans-57.4126.1172.7175.60000110.8V19 T20 D21 V69 R70 K72 R102 W121V19-V100 HydrophobicContact CG1-CG2 3.79Å; T20-V100 PolarHBondContact O-N 2.76Å; D21-V100 HydrophobicContact CB-CB 4.18Å; D21-V100 HydrophobicContact CB-CG2 3.98Å; V69-V100 HydrophobicContact CG1-CB 4.1Å; V69-V100 HydrophobicContact CG1-CG1 3.57Å; V69-V100 HydrophobicContact CG1-CG2 3.67Å; R70-V100 WeakPolarHBondContact O-CA 3.42Å; K72-V100 WeakPolarHBondContact CE-O 3.25Å; V100-R102 HydrophobicContact CG1-CG 4.14Å; V100-R102 PolarHBondContact O-N 2.87Å; V100-W121 HydrophobicContact CG2-CH2 3.65Å; V100-W121 HydrophobicContact CG2-CZ2 4.07Å
101D98.3Very high97.5Very high31 Ų3149.2 Ų49.217%0.16626%0.256CS..  trans-83.297.3170.8-174.7-1.1000110.3R70 K72 E99 S103 Y104R70-D101 HydrophobicContact CB-CB 4.3Å; R70-D101 PolarHBondContact O-N 3.45Å; K72-D101 HydrophobicContact CB-CB 4.22Å; K72-D101 HydrophobicContact CD-CB 4.39Å; K72-D101 HydrophobicContact CG-CB 4.17Å; E99-D101 PolarHBondContact O-N 3.05Å; D101-S103 PolarHBondContact O-N 3.36Å; D101-S103 VanDerWaalsContact O-N 3.12Å; D101-S103 WeakPolarHBondContact OD1-CB 3.18Å; D101-S103 PolarHBondContact OD1-N 3.08Å; D101-S103 PolarHBondContact OD1-OG 2.89Å; D101-Y104 HydrophobicContact CB-CD2 4.21Å; D101-Y104 PolarHBondContact O-N 3.29Å; D101-Y104 VanDerWaalsContact O-N 3.17Å; D101-Y104 WeakPolarHBondContact OD2-CD2 3.29Å; D101-Y104 VanDerWaalsContact OD2-CE2 3.25Å; D101-Y104 WeakPolarHBondContact OD2-CE2 3.49Å
102R96.7Very high97.4Very high118 Ų11848.4 Ų48.445%0.44526%0.255SS..THydrogen-bonded Turntrans-734.3-179.6-54.7-16776.2170.712.6114.6D21 S22 V100 Y104D21-R102 WeakPolarHBondContact OD1-CD 3.48Å; S22-R102 WeakPolarHBondContact OG-CD 3.48Å; V100-R102 HydrophobicContact CG1-CG 4.14Å; V100-R102 PolarHBondContact O-N 2.87Å; R102-Y104 PolarHBondContact O-N 2.85Å
103S97.6Very high97.3Very high103 Ų10349.1 Ų49.172%0.7226%0.262SS*.THydrogen-bonded Turntrans-70.1-12.6165.3-440000111.9D101D101-S103 PolarHBondContact O-N 3.36Å; D101-S103 VanDerWaalsContact O-N 3.12Å; D101-S103 WeakPolarHBondContact OD1-CB 3.18Å; D101-S103 PolarHBondContact OD1-N 3.08Å; D101-S103 PolarHBondContact OD1-OG 2.89Å
104Y96.7Very high97.1Very high107 Ų10754.3 Ų54.342%0.4229%0.286SS..SBendtrans-122.2173.8178.4-61.1-83.9000110.5R70 D101 R102 S106R70-Y104 HydrophobicContact CB-CD2 4.18Å; R70-Y104 HydrophobicContact CB-CG 4.5Å; R70-Y104 HydrophobicContact CG-CD2 4.37Å; R70-Y104 HydrophobicContact CG-CG 4.35Å; D101-Y104 HydrophobicContact CB-CD2 4.21Å; D101-Y104 PolarHBondContact O-N 3.29Å; D101-Y104 VanDerWaalsContact O-N 3.17Å; D101-Y104 WeakPolarHBondContact OD2-CD2 3.29Å; D101-Y104 VanDerWaalsContact OD2-CE2 3.25Å; D101-Y104 WeakPolarHBondContact OD2-CE2 3.49Å; R102-Y104 PolarHBondContact O-N 2.85Å; Y104-S106 PolarHBondContact O-N 3.39Å; Y104-S106 VanDerWaalsContact O-N 3.12Å
105P94.5Very high96.9Very high106 Ų10657.8 Ų57.869%0.68830%0.301SS*.  trans-51121.7170.8-27.736.8000111.1
106S93.1Very high96.7Very high20 Ų2057.9 Ų57.914%0.1430%0.302CS..  trans-103.3-12.2-170.361.40000114.1Y104Y104-S106 PolarHBondContact O-N 3.39Å; Y104-S106 VanDerWaalsContact O-N 3.12Å
107E96.1Very high96.6Very high116 Ų11663 Ų6354%0.54233%0.326SS..SBendtrans-84124-179-63.4-54.4140.600110.5
108P97.2Very high96.4Very high27 Ų2763.5 Ų63.518%0.17533%0.333CS..  trans-69135.4-179.228.2-33.9000111.5L29 A67 V69 W119L29-P108 HydrophobicContact CD1-CB 4.09Å; L29-P108 HydrophobicContact CD1-CG 3.71Å; L29-P108 HydrophobicContact CD2-CB 4Å; A67-P108 HydrophobicContact CB-CB 4.37Å; A67-P108 WeakPolarHBondContact O-CA 3.42Å; V69-P108 HydrophobicContact CG2-CB 4.04Å; P108-W119 HydrophobicContact CB-CB 3.97Å; P108-W119 HydrophobicContact CB-CG 4.35Å; P108-W119 HydrophobicContact CG-CB 4.22Å
109V97.3Very high96.4Very high80 Ų8064.8 Ų64.849%0.48534%0.338SS..  trans-115137177.7-179.40000108.8E66 A67 L111E66-V109 VanDerWaalsContact O-O 3.12Å; A67-V109 CarbonylContact C-O 3.55Å; A67-V109 VanDerWaalsContact CA-O 3.25Å; A67-V109 WeakPolarHBondContact CA-O 3.32Å; A67-V109 PolarHBondContact O-N 3.12Å; V109-L111 HydrophobicContact CB-CD2 4.33Å; V109-L111 HydrophobicContact CB-CG 4.45Å; V109-L111 HydrophobicContact CG1-CD2 3.91Å; V109-L111 HydrophobicContact CG1-CG 4.4Å; V109-L111 PolarHBondContact O-N 2.82Å
110N97.4Very high96.4Very high42 Ų4266.5 Ų66.523%0.22535%0.352CS..  trans-77.188.2174.2-171.311.9000110.2E112 N116 E117 G118N110-E112 VanDerWaalsContact C-N 3.35Å; N110-N116 PolarHBondContact ND2-O 3.19Å; N110-E117 PolarHBondContact ND2-O 2.93Å; N110-G118 PolarHBondContact ND2-N 3.27Å
111L97.4Very high96.4Very high90 Ų9068.3 Ų68.347%0.47136%0.359SS..SBendtrans-78.1-20.5-176.2-68.1178.6000113.2M64 E65 E66 V109 P113M64-L111 VanDerWaalsContact O-CD1 3.3Å; M64-L111 WeakPolarHBondContact O-CD1 3.45Å; E65-L111 WeakPolarHBondContact O-CB 3.48Å; E65-L111 WeakPolarHBondContact O-CD1 3.4Å; E66-L111 PolarHBondContact O-N 3.46Å; V109-L111 HydrophobicContact CB-CD2 4.33Å; V109-L111 HydrophobicContact CB-CG 4.45Å; V109-L111 HydrophobicContact CG1-CD2 3.91Å; V109-L111 HydrophobicContact CG1-CG 4.4Å; V109-L111 PolarHBondContact O-N 2.82Å; L111-P113 VanDerWaalsContact O-CD 3.26Å; L111-P113 WeakPolarHBondContact O-CD 3.29Å
112E96.2Very high96.4Very high41 Ų4168.1 Ų68.119%0.19236%0.359CS..  trans-120.265.8178.1-57.7-164.4127.900111.4N110 E114 K115 N116N110-E112 VanDerWaalsContact C-N 3.35Å; E112-E114 VanDerWaalsContact C-OE2 3.25Å; E112-E114 PolarHBondContact O-N 3.17Å; E112-K115 HydrophobicContact CB-CB 4.31Å; E112-K115 HydrophobicContact CB-CD 4.21Å; E112-K115 PolarHBondContact O-N 3.3Å; E112-K115 IonicContact OE1-NZ 3.8Å; E112-K115 PolarHBondContact OE1-NZ 3.34Å; E112-K115 WeakPolarHBondContact OE2-CD 3.4Å; E112-K115 WeakPolarHBondContact OE2-CE 3.09Å; E112-K115 IonicContact OE2-NZ 2.64Å; E112-K115 PolarHBondContact OE2-NZ 3.3Å; E112-N116 PolarHBondContact O-N 2.8Å
113P96.4Very high96.4Very high68 Ų6866.2 Ų66.244%0.44236%0.355SS..THydrogen-bonded Turntrans-64.9-14.6-171.728.8-37.4000114.3K34 L111 N116K34-P113 VanDerWaalsContact CD-O 3.32Å; K34-P113 WeakPolarHBondContact CD-O 3.32Å; K34-P113 PolarHBondContact NZ-O 3.31Å; L111-P113 VanDerWaalsContact O-CD 3.26Å; L111-P113 WeakPolarHBondContact O-CD 3.29Å; P113-N116 CarbonylContact C-O 3.51Å; P113-N116 VanDerWaalsContact O-O 3.12Å
114E95.3Very high96.3Very high118 Ų11861.8 Ų61.855%0.55132%0.323SS*.THydrogen-bonded Turntrans-77.9-23.3172.476.6-66.4164.800113K34 E112K34-E114 WeakPolarHBondContact CB-O 3.49Å; E112-E114 VanDerWaalsContact C-OE2 3.25Å; E112-E114 PolarHBondContact O-N 3.17Å
115K93.1Very high96.2Very high83 Ų8362.8 Ų62.836%0.36134%0.335SS..THydrogen-bonded Turntrans-101.6-26.4179-64.7176.2-165.3167.30113.2K34 E112K34-K115 PolarHBondContact N-O 2.81Å; E112-K115 HydrophobicContact CB-CB 4.31Å; E112-K115 HydrophobicContact CB-CD 4.21Å; E112-K115 PolarHBondContact O-N 3.3Å; E112-K115 IonicContact OE1-NZ 3.8Å; E112-K115 PolarHBondContact OE1-NZ 3.34Å; E112-K115 WeakPolarHBondContact OE2-CD 3.4Å; E112-K115 WeakPolarHBondContact OE2-CE 3.09Å; E112-K115 IonicContact OE2-NZ 2.64Å; E112-K115 PolarHBondContact OE2-NZ 3.3Å
116N94.9Very high96.3Very high4 Ų463.8 Ų63.82%0.02133%0.331CS..EExtended strand (participates in β ladder)trans-133.5144.9-175.9-174.736.8000112.2G31 K32 K34 N110 E112 P113 G118G31-N116 VanDerWaalsContact C-OD1 3.29Å; G31-N116 VanDerWaalsContact CA-OD1 3.32Å; G31-N116 WeakPolarHBondContact CA-OD1 3.41Å; K32-N116 PolarHBondContact N-OD1 3.12Å; K32-N116 PolarHBondContact O-OD1 3.02Å; K34-N116 WeakPolarHBondContact CE-O 3.28Å; K34-N116 PolarHBondContact NZ-O 2.72Å; N110-N116 PolarHBondContact ND2-O 3.19Å; E112-N116 PolarHBondContact O-N 2.8Å; P113-N116 CarbonylContact C-O 3.51Å; P113-N116 VanDerWaalsContact O-O 3.12Å; N116-G118 VanDerWaalsContact ND2-C 3.27Å; N116-G118 PolarHBondContact ND2-N 2.95Å; N116-G118 PolarHBondContact ND2-O 2.87Å; N116-G118 PolarHBondContact OD1-O 2.79Å
117E96.6Very high96.4Very high108 Ų10863.9 Ų63.951%0.50533%0.329SS..EExtended strand (participates in β ladder)trans-75-25.5174.1-73179.8-158.300112.8K32 K34 N110K32-E117 HydrophobicContact CB-CB 4.2Å; K32-E117 WeakPolarHBondContact CD-OE2 3.39Å; K32-E117 IonicContact NZ-OE2 3.73Å; K32-E117 PolarHBondContact O-N 3.38Å; K34-E117 HydrophobicContact CD-CG 4.22Å; K34-E117 HydrophobicContact CG-CG 3.89Å; N110-E117 PolarHBondContact ND2-O 2.93Å
118G95.6Very high96.4Very high21 Ų2159.6 Ų59.622%0.21631%0.311CS..EExtended strand (participates in β ladder)trans150.4173.5-177.600000110.8G31 N110 N116G31-G118 VanDerWaalsContact CA-O 3.24Å; G31-G118 WeakPolarHBondContact CA-O 3.48Å; N110-G118 PolarHBondContact ND2-N 3.27Å; N116-G118 VanDerWaalsContact ND2-C 3.27Å; N116-G118 PolarHBondContact ND2-N 2.95Å; N116-G118 PolarHBondContact ND2-O 2.87Å; N116-G118 PolarHBondContact OD1-O 2.79Å
119W98Very high96.3Very high27 Ų2765.2 Ų65.210%0.10234%0.335CS..EExtended strand (participates in β ladder)trans-109.6141.9-179.7-63.7113.4000110.7L29 L30 G31 P45 E66 A67 P108L29-W119 HydrophobicContact CD1-CB 3.92Å; L29-W119 HydrophobicContact CD2-CB 4.15Å; L29-W119 HydrophobicContact CD2-CD2 4.01Å; L29-W119 HydrophobicContact CD2-CE3 3.95Å; L29-W119 HydrophobicContact CD2-CG 4.11Å; L29-W119 HydrophobicContact CG-CB 4.07Å; L29-W119 HydrophobicContact CG-CD2 4.33Å; L29-W119 HydrophobicContact CG-CE3 3.91Å; L29-W119 HydrophobicContact CG-CG 4.43Å; L30-W119 VanDerWaalsContact C-CE3 3.49Å; L30-W119 CarbonylContact O-C 3.46Å; L30-W119 WeakPolarHBondContact O-CA 3.38Å; G31-W119 VanDerWaalsContact CA-CE3 3.49Å; G31-W119 VanDerWaalsContact CA-CZ3 3.49Å; G31-W119 VanDerWaalsContact N-CE3 3.35Å; G31-W119 VanDerWaalsContact N-CZ3 3.29Å; P45-W119 HydrophobicContact CB-CH2 3.9Å; P45-W119 HydrophobicContact CB-CZ2 4.41Å; P45-W119 HydrophobicContact CB-CZ3 4.33Å; P45-W119 HydrophobicContact CG-CE3 4.2Å; P45-W119 HydrophobicContact CG-CH2 3.64Å; P45-W119 HydrophobicContact CG-CZ2 4.28Å; P45-W119 HydrophobicContact CG-CZ3 3.57Å; E66-W119 HydrophobicContact CB-CZ2 3.79Å; E66-W119 PolarHBondContact O-NE1 2.88Å; A67-W119 HydrophobicContact CB-CD2 4.45Å; A67-W119 HydrophobicContact CB-CG 4.44Å; P108-W119 HydrophobicContact CB-CB 3.97Å; P108-W119 HydrophobicContact CB-CG 4.35Å; P108-W119 HydrophobicContact CG-CB 4.22Å
120T97.8Very high96.2Very high86 Ų8664.8 Ų64.853%0.52833%0.328SS..EExtended strand (participates in β ladder)trans-142.3135.7179.1-59.10000110.1L30 T122L30-T120 PolarHBondContact N-O 3.04Å; L30-T120 PolarHBondContact O-N 3.49Å; T120-T122 PolarHBondContact O-N 3.34Å
121W98.2Very high96.1Very high39 Ų3968.8 Ų68.815%0.14835%0.349CS..EExtended strand (participates in β ladder)trans-73.5112.6169.6-65111000109.6V19 D21 H24 C27 L29 V100V19-W121 HydrophobicContact CG1-CH2 3.93Å; V19-W121 HydrophobicContact CG1-CZ3 4.34Å; V19-W121 WeakPolarHBondContact O-CZ3 3.28Å; D21-W121 HydrophobicContact CB-CH2 3.48Å; D21-W121 VanDerWaalsContact CB-CH2 3.48Å; D21-W121 HydrophobicContact CB-CZ2 3.78Å; D21-W121 HydrophobicContact CB-CZ3 3.91Å; H24-W121 HydrophobicContact CB-CB 4.18Å; H24-W121 HydrophobicContact CB-CD2 4.04Å; H24-W121 HydrophobicContact CB-CE3 4.2Å; H24-W121 HydrophobicContact CB-CG 4.04Å; H24-W121 AromaticContact CD2-CD1 3.34Å; H24-W121 AromaticContact CD2-CD2 3.68Å; H24-W121 AromaticContact CD2-CE2 3.5Å; H24-W121 AromaticContact CD2-CG 3.59Å; H24-W121 AromaticContact CD2-NE1 3.26Å; H24-W121 PolarHBondContact CD2-NE1 2.95Å; H24-W121 VanDerWaalsContact CD2-NE1 3.26Å; H24-W121 AromaticContact CE1-CD1 3.6Å; H24-W121 AromaticContact CG-CD1 3.72Å; H24-W121 AromaticContact CG-CD2 3.87Å; H24-W121 AromaticContact CG-CG 3.58Å; H24-W121 AromaticContact ND1-CD1 3.86Å; H24-W121 AromaticContact ND1-CG 3.91Å; H24-W121 AromaticContact NE2-CD1 3.27Å; H24-W121 VanDerWaalsContact NE2-CD1 3.27Å; H24-W121 AromaticContact NE2-CG 3.95Å; H24-W121 AromaticContact NE2-NE1 3.33Å; H24-W121 PolarHBondContact NE2-NE1 2.88Å; C27-W121 HydrophobicContact CB-CB 4.07Å; C27-W121 HydrophobicContact CB-CE3 4.26Å; L29-W121 HydrophobicContact CB-CE3 4.24Å; L29-W121 HydrophobicContact CB-CH2 4.38Å; L29-W121 HydrophobicContact CB-CZ3 4Å; L29-W121 HydrophobicContact CD1-CD2 3.84Å; L29-W121 HydrophobicContact CD1-CE3 4.05Å; L29-W121 HydrophobicContact CD1-CG 4.37Å; L29-W121 HydrophobicContact CD1-CH2 4.23Å; L29-W121 HydrophobicContact CD1-CZ2 4.04Å; L29-W121 HydrophobicContact CD1-CZ3 4.25Å; V100-W121 HydrophobicContact CG2-CH2 3.65Å; V100-W121 HydrophobicContact CG2-CZ2 4.07Å
122T98.1Very high96.1Very high27 Ų2768.9 Ų68.917%0.16635%0.347CS..EExtended strand (participates in β ladder)trans-115.8129.9-178.6-540000109.8C27 V28 L30 T120 W124 F127C27-T122 CarbonylContact C-O 3.37Å; C27-T122 WeakPolarHBondContact CA-O 3.13Å; V28-T122 PolarHBondContact N-O 2.97Å; V28-T122 PolarHBondContact O-N 2.94Å; L30-T122 HydrophobicContact CD1-CG2 4.11Å; T120-T122 PolarHBondContact O-N 3.34Å; T122-W124 PolarHBondContact O-N 2.85Å; T122-F127 HydrophobicContact CG2-CD1 3.7Å; T122-F127 HydrophobicContact CG2-CE1 4.03Å; T122-F127 WeakPolarHBondContact O-CE1 3.24Å
123Q97.3Very high96.2Very high77 Ų7767.2 Ų67.236%0.3634%0.34SS..EExtended strand (participates in β ladder)trans-62.6132.3174.2-68.9-174.2-17.100110S26 C27 D125 Q126 F127S26-Q123 WeakPolarHBondContact O-CA 3.2Å; C27-Q123 VanDerWaalsContact SG-CG 3.56Å; Q123-D125 VanDerWaalsContact C-N 3.28Å; Q123-D125 WeakPolarHBondContact CB-OD1 3.5Å; Q123-D125 PolarHBondContact O-N 2.85Å; Q123-Q126 HydrophobicContact CB-CB 4.11Å; Q123-Q126 HydrophobicContact CB-CG 4.11Å; Q123-Q126 CarbonylContact O-C 3.58Å; Q123-Q126 WeakPolarHBondContact O-CA 3.25Å; Q123-Q126 PolarHBondContact O-N 3.43Å; Q123-F127 VanDerWaalsContact O-CD1 3.3Å; Q123-F127 WeakPolarHBondContact O-CD1 3.39Å; Q123-F127 PolarHBondContact O-N 3.25Å
124W95.8Very high96.2Very high11 Ų1165.5 Ų65.54%0.04233%0.325CS..G310 helixtrans-58.2-37.1-173.1177.3-102.9000114.3L18 S26 V28 T122 Q126 F127 L140 R141 F145 Q146 P147 F148L18-W124 HydrophobicContact CD2-CH2 4.42Å; L18-W124 HydrophobicContact CD2-CZ3 3.83Å; S26-W124 PolarHBondContact O-N 3.29Å; V28-W124 HydrophobicContact CG2-CE3 4.17Å; T122-W124 PolarHBondContact O-N 2.85Å; W124-Q126 VanDerWaalsContact C-N 3.27Å; W124-Q126 PolarHBondContact O-N 2.79Å; W124-F127 HydrophobicContact CE3-CD1 4.49Å; W124-F127 HydrophobicContact CE3-CD2 4.05Å; W124-F127 HydrophobicContact CE3-CE1 4.07Å; W124-F127 AromaticContact CE3-CE2 3.58Å; W124-F127 HydrophobicContact CE3-CE2 3.58Å; W124-F127 HydrophobicContact CE3-CG 4.5Å; W124-F127 AromaticContact CE3-CZ 3.61Å; W124-F127 HydrophobicContact CE3-CZ 3.61Å; W124-F127 HydrophobicContact CZ3-CD2 4.11Å; W124-F127 AromaticContact CZ3-CE2 3.51Å; W124-F127 HydrophobicContact CZ3-CE2 3.51Å; W124-F127 AromaticContact CZ3-CZ 3.91Å; W124-F127 HydrophobicContact CZ3-CZ 3.91Å; W124-F127 PolarHBondContact O-N 2.88Å; W124-L140 HydrophobicContact CH2-CD2 4.36Å; W124-R141 HydrophobicContact CH2-CG 4.46Å; W124-F145 HydrophobicContact CH2-CD1 4.22Å; W124-F145 HydrophobicContact CZ2-CD1 4.21Å; W124-F145 WeakPolarHBondContact CZ2-O 3.39Å; W124-Q146 VanDerWaalsContact NE1-OE1 3.12Å; W124-P147 HydrophobicContact CB-CG 4.47Å; W124-P147 HydrophobicContact CD2-CG 3.41Å; W124-P147 VanDerWaalsContact CD2-CG 3.41Å; W124-P147 HydrophobicContact CE3-CG 3.59Å; W124-P147 HydrophobicContact CG-CG 3.81Å; W124-P147 HydrophobicContact CH2-CG 4.19Å; W124-P147 VanDerWaalsContact CZ2-CD 3.48Å; W124-P147 HydrophobicContact CZ2-CG 4.06Å; W124-P147 HydrophobicContact CZ3-CG 3.97Å; W124-F148 HydrophobicContact CB-CD2 4.09Å; W124-F148 HydrophobicContact CB-CE2 3.78Å; W124-F148 HydrophobicContact CG-CE2 4.44Å
125D94.3Very high96.4Very high128 Ų12862.1 Ų62.168%0.68431%0.31SS*.G310 helixtrans-75.5-15.3176.763.2-18.8000113.4Q123Q123-D125 VanDerWaalsContact C-N 3.28Å; Q123-D125 WeakPolarHBondContact CB-OD1 3.5Å; Q123-D125 PolarHBondContact O-N 2.85Å
126Q95.7Very high96.6Very high127 Ų12758.6 Ų58.659%0.59330%0.296SS*.G310 helixtrans-105.815.3175.8-59-179.3-0.100112.7Q123 W124Q123-Q126 HydrophobicContact CB-CB 4.11Å; Q123-Q126 HydrophobicContact CB-CG 4.11Å; Q123-Q126 CarbonylContact O-C 3.58Å; Q123-Q126 WeakPolarHBondContact O-CA 3.25Å; Q123-Q126 PolarHBondContact O-N 3.43Å; W124-Q126 VanDerWaalsContact C-N 3.27Å; W124-Q126 PolarHBondContact O-N 2.79Å
127F95.7Very high96.7Very high21 Ų2158.6 Ų58.69%0.09230%0.296CS..PPolyproline II helixtrans-55.1149.3173.7-93.730.2000111.2V28 L30 T122 Q123 W124 L137V28-F127 HydrophobicContact CB-CE1 4.14Å; V28-F127 HydrophobicContact CB-CZ 3.76Å; V28-F127 HydrophobicContact CG1-CZ 4.02Å; V28-F127 HydrophobicContact CG2-CZ 4.5Å; L30-F127 HydrophobicContact CD1-CD1 3.92Å; L30-F127 HydrophobicContact CD1-CD2 4.16Å; L30-F127 HydrophobicContact CD1-CE1 3.66Å; L30-F127 HydrophobicContact CD1-CE2 3.92Å; L30-F127 HydrophobicContact CD1-CG 4.15Å; L30-F127 HydrophobicContact CD1-CZ 3.65Å; L30-F127 HydrophobicContact CD2-CE1 4.42Å; L30-F127 HydrophobicContact CD2-CE2 3.81Å; L30-F127 HydrophobicContact CD2-CZ 3.63Å; L30-F127 HydrophobicContact CG-CE1 3.98Å; L30-F127 HydrophobicContact CG-CE2 4.22Å; L30-F127 HydrophobicContact CG-CZ 3.69Å; T122-F127 HydrophobicContact CG2-CD1 3.7Å; T122-F127 HydrophobicContact CG2-CE1 4.03Å; T122-F127 WeakPolarHBondContact O-CE1 3.24Å; Q123-F127 VanDerWaalsContact O-CD1 3.3Å; Q123-F127 WeakPolarHBondContact O-CD1 3.39Å; Q123-F127 PolarHBondContact O-N 3.25Å; W124-F127 HydrophobicContact CE3-CD1 4.49Å; W124-F127 HydrophobicContact CE3-CD2 4.05Å; W124-F127 HydrophobicContact CE3-CE1 4.07Å; W124-F127 AromaticContact CE3-CE2 3.58Å; W124-F127 HydrophobicContact CE3-CE2 3.58Å; W124-F127 HydrophobicContact CE3-CG 4.5Å; W124-F127 AromaticContact CE3-CZ 3.61Å; W124-F127 HydrophobicContact CE3-CZ 3.61Å; W124-F127 HydrophobicContact CZ3-CD2 4.11Å; W124-F127 AromaticContact CZ3-CE2 3.51Å; W124-F127 HydrophobicContact CZ3-CE2 3.51Å; W124-F127 AromaticContact CZ3-CZ 3.91Å; W124-F127 HydrophobicContact CZ3-CZ 3.91Å; W124-F127 PolarHBondContact O-N 2.88Å; F127-L137 HydrophobicContact CE2-CD1 4.21Å; F127-L137 HydrophobicContact CE2-CD2 4.1Å
128P96.5Very high96.8Very high26 Ų2653.7 Ų53.717%0.16927%0.274CS..PPolyproline II helixtrans-52.2157.8169-23.832.3000112Y42 Q132 L133Y42-P128 HydrophobicContact CD1-CG 4.47Å; Y42-P128 HydrophobicContact CD2-CB 3.99Å; Y42-P128 HydrophobicContact CD2-CG 3.48Å; Y42-P128 VanDerWaalsContact CD2-CG 3.48Å; Y42-P128 HydrophobicContact CE2-CB 4.3Å; Y42-P128 HydrophobicContact CE2-CG 3.74Å; Y42-P128 HydrophobicContact CG-CG 3.87Å; P128-Q132 HydrophobicContact CB-CB 3.85Å; P128-L133 HydrophobicContact CB-CD2 3.93Å; P128-L133 HydrophobicContact CG-CD2 4.11Å
129Q95.8Very high96.9Very high145 Ų14553.8 Ų53.868%0.67827%0.271SS*.PPolyproline II helixtrans-59.7153173.6-63-136.1-28.400110.9D131 Q132 L133Q129-D131 VanDerWaalsContact CB-OD1 3.26Å; Q129-D131 WeakPolarHBondContact CB-OD1 3.44Å; Q129-D131 PolarHBondContact O-N 2.99Å; Q129-D131 VanDerWaalsContact O-N 3.09Å; Q129-Q132 WeakPolarHBondContact O-CA 3.34Å; Q129-Q132 WeakPolarHBondContact O-CB 3.43Å; Q129-Q132 PolarHBondContact O-N 2.92Å; Q129-L133 PolarHBondContact O-N 3Å
130E94.6Very high96.9Very high72 Ų7252.5 Ų52.534%0.33627%0.267SS..G310 helixtrans-57.3-30-171-64.6178.3178.100113.7Q132 L133 A138 R141 Q142E130-Q132 PolarHBondContact O-N 3.34Å; E130-L133 PolarHBondContact O-N 2.86Å; E130-A138 HydrophobicContact CB-CB 4.47Å; E130-A138 WeakPolarHBondContact O-CB 3.3Å; E130-R141 HydrophobicContact CG-CB 4.35Å; E130-Q142 WeakPolarHBondContact OE2-CG 3.35Å; E130-Q142 PolarHBondContact OE2-NE2 3.17Å
131D95.1Very high96.7Very high126 Ų12651.8 Ų51.867%0.67425%0.254SS*.G310 helixtrans-70.9-17.8176.867-23.5000113.8Q129Q129-D131 VanDerWaalsContact CB-OD1 3.26Å; Q129-D131 WeakPolarHBondContact CB-OD1 3.44Å; Q129-D131 PolarHBondContact O-N 2.99Å; Q129-D131 VanDerWaalsContact O-N 3.09Å
132Q97.3Very high96.6Very high91 Ų9155.7 Ų55.743%0.42527%0.274SS..G310 helixtrans-95.5-5.2173.7-66.1170.267.900112.5T41 Y42 P128 Q129 E130T41-Q132 CarbonylContact C-O 3.43Å; T41-Q132 WeakPolarHBondContact CA-O 3.39Å; T41-Q132 VanDerWaalsContact CB-O 3.31Å; T41-Q132 WeakPolarHBondContact CB-O 3.25Å; Y42-Q132 PolarHBondContact N-O 2.99Å; P128-Q132 HydrophobicContact CB-CB 3.85Å; Q129-Q132 WeakPolarHBondContact O-CA 3.34Å; Q129-Q132 WeakPolarHBondContact O-CB 3.43Å; Q129-Q132 PolarHBondContact O-N 2.92Å; E130-Q132 PolarHBondContact O-N 3.34Å
133L97.8Very high96.4Very high7 Ų759.5 Ų59.54%0.03729%0.29CS..BIsolated β-bridgetrans-91.5146.6177.2-55.7179.1000110.2P128 Q129 E130 L137 A138 R141P128-L133 HydrophobicContact CB-CD2 3.93Å; P128-L133 HydrophobicContact CG-CD2 4.11Å; Q129-L133 PolarHBondContact O-N 3Å; E130-L133 PolarHBondContact O-N 2.86Å; L133-L137 HydrophobicContact CB-CB 4.43Å; L133-L137 HydrophobicContact CB-CD2 4.43Å; L133-L137 HydrophobicContact CB-CG 4.32Å; L133-L137 HydrophobicContact CD1-CG 4.18Å; L133-L137 HydrophobicContact CD2-CD2 4.05Å; L133-A138 HydrophobicContact CB-CB 4.09Å; L133-R141 HydrophobicContact CD1-CG 3.8Å
134F97.7Very high96.2Very high31 Ų3158.1 Ų58.114%0.13630%0.296CS..  trans-64.2142.8171.6-174.9-130.5000109.3T41 Y42 Q43 Y89 P136 L137 A138T41-F134 WeakPolarHBondContact OG1-CA 3.24Å; Y42-F134 WeakPolarHBondContact O-CB 3.32Å; Y42-F134 PolarHBondContact O-N 3.41Å; Q43-F134 HydrophobicContact CB-CB 4.1Å; Q43-F134 HydrophobicContact CB-CD1 4.49Å; Y89-F134 AromaticContact CE2-CZ 3.96Å; Y89-F134 HydrophobicContact CE2-CZ 3.96Å; Y89-F134 AromaticContact CZ-CZ 3.87Å; Y89-F134 WeakPolarHBondContact OH-CZ 3.46Å; F134-P136 HydrophobicContact CD1-CG 4.16Å; F134-P136 HydrophobicContact CE1-CG 3.99Å; F134-P136 VanDerWaalsContact O-N 3.12Å; F134-L137 WeakPolarHBondContact O-CA 3.37Å; F134-L137 WeakPolarHBondContact O-CB 3.2Å; F134-L137 PolarHBondContact O-N 3.24Å; F134-A138 PolarHBondContact O-N 2.89Å
135L97.6Very high96.1Very high47 Ų4759.5 Ų59.525%0.24630%0.303CS..Hα-helixtrans-50.7-45.4-162.1-176.864.6000114.8K84 Y89 L137 A138 C139K84-L135 HydrophobicContact CB-CD2 3.81Å; Y89-L135 HydrophobicContact CD1-CD2 3.87Å; Y89-L135 HydrophobicContact CE1-CD2 4.01Å; L135-L137 VanDerWaalsContact C-N 3.31Å; L135-L137 PolarHBondContact O-N 3.06Å; L135-A138 WeakPolarHBondContact O-CB 3.24Å; L135-A138 PolarHBondContact O-N 2.77Å; L135-C139 PolarHBondContact O-N 2.91Å; L135-C139 PolarHBondContact O-SG 3Å
136P97.9Very high96Very high9 Ų957.4 Ų57.46%0.05829%0.289CS..Hα-helixtrans-59.7-38.8176.3-2435.3000114.1V80 S82 T93 F134 C139 L140V80-P136 HydrophobicContact CG2-CB 3.97Å; S82-P136 VanDerWaalsContact OG-CA 3.31Å; S82-P136 WeakPolarHBondContact OG-CA 3.5Å; T93-P136 HydrophobicContact CG2-CB 3.97Å; T93-P136 HydrophobicContact CG2-CG 4.48Å; F134-P136 HydrophobicContact CD1-CG 4.16Å; F134-P136 HydrophobicContact CE1-CG 3.99Å; F134-P136 VanDerWaalsContact O-N 3.12Å; P136-C139 PolarHBondContact O-N 2.99Å; P136-L140 PolarHBondContact O-N 3.34Å
137L98.1Very high95.8Very high4 Ų451.8 Ų51.82%0.02126%0.263CS..Hα-helixtrans-71.9-37.7177.8-179.457.5000111.5L30 L44 F127 L133 F134 L135 L140 R141L30-L137 HydrophobicContact CD2-CD2 3.75Å; L44-L137 HydrophobicContact CD1-CD1 4.11Å; L44-L137 HydrophobicContact CD2-CD1 4.12Å; L44-L137 HydrophobicContact CD2-CD2 4.23Å; L44-L137 HydrophobicContact CG-CD1 4.03Å; L44-L137 HydrophobicContact CG-CD2 4.23Å; F127-L137 HydrophobicContact CE2-CD1 4.21Å; F127-L137 HydrophobicContact CE2-CD2 4.1Å; L133-L137 HydrophobicContact CB-CB 4.43Å; L133-L137 HydrophobicContact CB-CD2 4.43Å; L133-L137 HydrophobicContact CB-CG 4.32Å; L133-L137 HydrophobicContact CD1-CG 4.18Å; L133-L137 HydrophobicContact CD2-CD2 4.05Å; F134-L137 WeakPolarHBondContact O-CA 3.37Å; F134-L137 WeakPolarHBondContact O-CB 3.2Å; F134-L137 PolarHBondContact O-N 3.24Å; L135-L137 VanDerWaalsContact C-N 3.31Å; L135-L137 PolarHBondContact O-N 3.06Å; L137-L140 HydrophobicContact CD1-CD2 4.22Å; L137-L140 PolarHBondContact O-N 3.33Å; L137-R141 WeakPolarHBondContact O-CG 3.32Å; L137-R141 PolarHBondContact O-N 2.73Å
138A97.8Very high95.5Very high6 Ų654 Ų545%0.0527%0.273CS..Hα-helixtrans-60.4-47171.600000111.3E130 L133 F134 L135 L140 R141 Q142E130-A138 HydrophobicContact CB-CB 4.47Å; E130-A138 WeakPolarHBondContact O-CB 3.3Å; L133-A138 HydrophobicContact CB-CB 4.09Å; F134-A138 PolarHBondContact O-N 2.89Å; L135-A138 WeakPolarHBondContact O-CB 3.24Å; L135-A138 PolarHBondContact O-N 2.77Å; A138-L140 VanDerWaalsContact C-N 3.32Å; A138-L140 PolarHBondContact O-N 3.26Å; A138-R141 WeakPolarHBondContact O-CB 3.36Å; A138-R141 PolarHBondContact O-N 2.97Å; A138-Q142 WeakPolarHBondContact O-CG 3.49Å; A138-Q142 PolarHBondContact O-N 3.12Å
139C97.8Very high94.8Very high23 Ų2358.1 Ų58.116%0.15529%0.294CS..Hα-helixtrans-60.7-39.7176.4-69.50000112.3V80 L135 P136 Q142 Q143V80-C139 HydrophobicContact CB-CB 3.98Å; V80-C139 HydrophobicContact CG1-CB 4.11Å; V80-C139 HydrophobicContact CG2-CB 4.45Å; L135-C139 PolarHBondContact O-N 2.91Å; L135-C139 PolarHBondContact O-SG 3Å; P136-C139 PolarHBondContact O-N 2.99Å; C139-Q142 PolarHBondContact O-N 3.06Å; C139-Q143 WeakPolarHBondContact O-CG 3.17Å; C139-Q143 PolarHBondContact O-N 3.33Å
140L97.6Very high92.8Very high0 Ų058.1 Ų58.10%030%0.304CS..Hα-helixtrans-62.1-43.5176-179.767.1000111.7L18 V80 I95 W124 P136 L137 A138 Q142 Q143 F145L18-L140 HydrophobicContact CD1-CD2 4.28Å; L18-L140 HydrophobicContact CD2-CD2 4.33Å; V80-L140 HydrophobicContact CG1-CB 4.11Å; V80-L140 HydrophobicContact CG1-CD1 4.42Å; I95-L140 HydrophobicContact CG1-CD1 4.23Å; I95-L140 HydrophobicContact CG1-CD2 4.18Å; I95-L140 HydrophobicContact CG2-CD2 3.88Å; W124-L140 HydrophobicContact CH2-CD2 4.36Å; P136-L140 PolarHBondContact O-N 3.34Å; L137-L140 HydrophobicContact CD1-CD2 4.22Å; L137-L140 PolarHBondContact O-N 3.33Å; A138-L140 VanDerWaalsContact C-N 3.32Å; A138-L140 PolarHBondContact O-N 3.26Å; L140-Q142 VanDerWaalsContact C-N 3.35Å; L140-Q142 PolarHBondContact O-N 3.17Å; L140-Q143 WeakPolarHBondContact O-CB 3.12Å; L140-Q143 PolarHBondContact O-N 2.85Å; L140-F145 HydrophobicContact CD1-CB 3.68Å; L140-F145 HydrophobicContact CD1-CD1 4Å; L140-F145 HydrophobicContact CD1-CD2 4.17Å; L140-F145 HydrophobicContact CD1-CG 3.67Å; L140-F145 HydrophobicContact CD2-CD1 4.11Å; L140-F145 HydrophobicContact CG-CB 3.97Å; L140-F145 HydrophobicContact CG-CD1 4.09Å; L140-F145 HydrophobicContact CG-CG 4.14Å
141R95.3Very high90.4Very high70 Ų7064.5 Ų64.526%0.26435%0.348SS..Hα-helixtrans-60.9-42.8176.1-79.3-77-58.2147.410.1112W124 E130 L133 L137 A138 Q143 G144W124-R141 HydrophobicContact CH2-CG 4.46Å; E130-R141 HydrophobicContact CG-CB 4.35Å; L133-R141 HydrophobicContact CD1-CG 3.8Å; L137-R141 WeakPolarHBondContact O-CG 3.32Å; L137-R141 PolarHBondContact O-N 2.73Å; A138-R141 WeakPolarHBondContact O-CB 3.36Å; A138-R141 PolarHBondContact O-N 2.97Å; R141-Q143 VanDerWaalsContact C-N 3.25Å; R141-Q143 PolarHBondContact O-N 3.34Å; R141-G144 PolarHBondContact O-N 2.87Å
142Q95.2Very high90.2Very high122 Ų12261.4 Ų61.457%0.5733%0.331SS*.Hα-helixtrans-65.1-26.3178.4-72170.4-3.700113.6E130 A138 C139 L140 G144E130-Q142 WeakPolarHBondContact OE2-CG 3.35Å; E130-Q142 PolarHBondContact OE2-NE2 3.17Å; A138-Q142 WeakPolarHBondContact O-CG 3.49Å; A138-Q142 PolarHBondContact O-N 3.12Å; C139-Q142 PolarHBondContact O-N 3.06Å; L140-Q142 VanDerWaalsContact C-N 3.35Å; L140-Q142 PolarHBondContact O-N 3.17Å; Q142-G144 PolarHBondContact O-N 3.31Å
143Q94.1Very high89.8Confident107 Ų10759.8 Ų59.850%0.533%0.326SS..THydrogen-bonded Turntrans-70.6-5.5171.6-69.5176.8-13.400113S78 V79 C139 L140 R141 F145S78-Q143 PolarHBondContact OG-OE1 2.8Å; S78-Q143 VanDerWaalsContact OG-OE1 3.06Å; V79-Q143 PolarHBondContact O-NE2 3Å; C139-Q143 WeakPolarHBondContact O-CG 3.17Å; C139-Q143 PolarHBondContact O-N 3.33Å; L140-Q143 WeakPolarHBondContact O-CB 3.12Å; L140-Q143 PolarHBondContact O-N 2.85Å; R141-Q143 VanDerWaalsContact C-N 3.25Å; R141-Q143 PolarHBondContact O-N 3.34Å; Q143-F145 VanDerWaalsContact C-N 3.28Å; Q143-F145 PolarHBondContact O-N 3Å
144G93Very high89.3Confident48 Ų4862.8 Ų62.850%0.49534%0.343SS..THydrogen-bonded Turntrans7320-17700000113.4R141 Q142R141-G144 PolarHBondContact O-N 2.87Å; Q142-G144 PolarHBondContact O-N 3.31Å
145F93.9Very high88.8Confident39 Ų3964.6 Ų64.617%0.17136%0.355CS..  trans-59142.8-179.3-178.4-96.2000111.9L18 A77 W124 L140 Q143 P147L18-F145 HydrophobicContact CD1-CD1 4.32Å; L18-F145 HydrophobicContact CD1-CE1 3.46Å; L18-F145 VanDerWaalsContact CD1-CE1 3.46Å; L18-F145 HydrophobicContact CD1-CZ 4.02Å; A77-F145 HydrophobicContact CB-CE2 4.19Å; A77-F145 HydrophobicContact CB-CZ 3.79Å; A77-F145 WeakPolarHBondContact O-CE2 3.26Å; W124-F145 HydrophobicContact CH2-CD1 4.22Å; W124-F145 HydrophobicContact CZ2-CD1 4.21Å; W124-F145 WeakPolarHBondContact CZ2-O 3.39Å; L140-F145 HydrophobicContact CD1-CB 3.68Å; L140-F145 HydrophobicContact CD1-CD1 4Å; L140-F145 HydrophobicContact CD1-CD2 4.17Å; L140-F145 HydrophobicContact CD1-CG 3.67Å; L140-F145 HydrophobicContact CD2-CD1 4.11Å; L140-F145 HydrophobicContact CG-CB 3.97Å; L140-F145 HydrophobicContact CG-CD1 4.09Å; L140-F145 HydrophobicContact CG-CG 4.14Å; Q143-F145 VanDerWaalsContact C-N 3.28Å; Q143-F145 PolarHBondContact O-N 3Å; F145-P147 HydrophobicContact CE1-CB 3.76Å; F145-P147 HydrophobicContact CE1-CG 4.27Å; F145-P147 HydrophobicContact CZ-CB 4.49Å
146Q92.8Very high88.3Confident85 Ų8565.8 Ų65.840%0.39736%0.361SS..  trans-132.1102.9179.8-63.1-62.2-19.900110.5W124 F148 N149W124-Q146 VanDerWaalsContact NE1-OE1 3.12Å; Q146-F148 PolarHBondContact O-N 2.7Å; Q146-N149 HydrophobicContact CB-CB 3.89Å
147P90.4Very high87.7Confident8 Ų869.5 Ų69.55%0.05238%0.382CS..THydrogen-bonded Turntrans-68.6-17.2-173.420.2-26.7000114.8L18 Q97 W124 F145L18-P147 HydrophobicContact CD1-CB 4.35Å; Q97-P147 PolarHBondContact NE2-O 3.42Å; W124-P147 HydrophobicContact CB-CG 4.47Å; W124-P147 HydrophobicContact CD2-CG 3.41Å; W124-P147 VanDerWaalsContact CD2-CG 3.41Å; W124-P147 HydrophobicContact CE3-CG 3.59Å; W124-P147 HydrophobicContact CG-CG 3.81Å; W124-P147 HydrophobicContact CH2-CG 4.19Å; W124-P147 VanDerWaalsContact CZ2-CD 3.48Å; W124-P147 HydrophobicContact CZ2-CG 4.06Å; W124-P147 HydrophobicContact CZ3-CG 3.97Å; F145-P147 HydrophobicContact CE1-CB 3.76Å; F145-P147 HydrophobicContact CE1-CG 4.27Å; F145-P147 HydrophobicContact CZ-CB 4.49Å
148F90.4Very high86.9Confident68 Ų6874.2 Ų74.230%0.29841%0.407SS..THydrogen-bonded Turntrans-113.7-5.1-173.9-59-68.1000113.7T20 S26 C27 V28 W124 Q146 T150T20-F148 HydrophobicContact CG2-CE1 3.58Å; T20-F148 HydrophobicContact CG2-CZ 3.71Å; S26-F148 VanDerWaalsContact C-CZ 3.44Å; S26-F148 VanDerWaalsContact O-CE2 3.26Å; S26-F148 WeakPolarHBondContact O-CE2 3.46Å; C27-F148 WeakPolarHBondContact O-CZ 3.26Å; V28-F148 HydrophobicContact CG2-CE2 4.08Å; V28-F148 HydrophobicContact CG2-CZ 3.9Å; W124-F148 HydrophobicContact CB-CD2 4.09Å; W124-F148 HydrophobicContact CB-CE2 3.78Å; W124-F148 HydrophobicContact CG-CE2 4.44Å; Q146-F148 PolarHBondContact O-N 2.7Å; F148-T150 PolarHBondContact O-N 3.39Å
149N81.2Confident86.1Confident113 Ų11379.5 Ų79.560%0.60444%0.435SS*.  trans-85.4100.3174.6-72.3-2.8000108.3Q146 T151Q146-N149 HydrophobicContact CB-CB 3.89Å; N149-T151 PolarHBondContact O-N 3.12Å
150T54.4Low85.1Confident144 Ų14484.2 Ų84.288%0.88346%0.458SS*.  trans-70.6111.7164.2-29.40000106.8F148F148-T150 PolarHBondContact O-N 3.39Å
151T42.9Very low84Confident206 Ų20691.8 Ų91.8100%1.26450%0.5SS*.  trans-88.40164-11.80000108.4N149N149-T151 PolarHBondContact O-N 3.12Å

Retrieved 151 of 151 residues in 72.2 ms (Link to these results)

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