G4LY60_SCHMA Loading...

Large ribosomal subunit protein eL33

AlphaFold DB , UniProt , Accession G4LY60, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 128 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
1M47.5Very low57.7Low245 Ų245154.7 Ų154.7100%1.20788%0.88SS**  0103.60-82.2179.7170.500108.6
2V52.4Low58.2Low153 Ų153157.4 Ų157.493%0.92788%0.879SS**  trans-92.7115.6-178-178.30000107.7
3K53.8Low58.8Low200 Ų200160.6 Ų160.687%0.8788%0.878SS**  trans-87.8118.9175.6-85.5-177.9174.2178.90109.5
4A58.4Low59.4Low95 Ų95163.1 Ų163.179%0.78588%0.88SS**  trans-64.1135.4173.700000111
5T59Low60.2Low133 Ų133165.5 Ų165.582%0.81687%0.872SS**  trans-87.4111.6170.346.70000109.4
6E60.6Low61.2Low194 Ų194165.5 Ų165.591%0.90787%0.871SS**  trans-71.9128.5170.1-66.3-179.215900109.8
7T60.3Low62.2Low138 Ų138168.1 Ų168.185%0.84787%0.874SS**  trans-86.1107.5177.839.90000110.3G9T7-G9 PolarHBondContact O-N 2.94Å; T7-G9 VanDerWaalsContact O-N 3.09Å
8D61.1Low63Low172 Ų172169.9 Ų169.992%0.9287%0.867SS**  trans-63.4106.2172.9-100.9-40.8000111.2A10D8-A10 PolarHBondContact O-N 3.45Å
9G57.5Low63.8Low66 Ų66167.6 Ų167.668%0.6887%0.865SS**  trans-64.9121.3177.100000112.6T7 K11T7-G9 PolarHBondContact O-N 2.94Å; T7-G9 VanDerWaalsContact O-N 3.09Å; G9-K11 PolarHBondContact O-N 3Å; G9-K11 VanDerWaalsContact O-N 3.11Å
10A62.5Low64.6Low100 Ų100162.5 Ų162.583%0.82686%0.855SS**  trans-61.7111.1178.400000112.2D8 H12D8-A10 PolarHBondContact O-N 3.45Å; A10-H12 PolarHBondContact O-N 3.02Å
11K61.6Low65.5Low206 Ų206159.7 Ų159.790%0.89683%0.833SS**  trans-66.3112.1173.9-67.9178-179.3173.50110.9G9 K13G9-K11 PolarHBondContact O-N 3Å; G9-K11 VanDerWaalsContact O-N 3.11Å; K11-K13 PolarHBondContact O-N 2.91Å
12H64.2Low67.5Low187 Ų187154.4 Ų154.487%0.86681%0.809SS**  trans-60.7113.4171.6-105.1-73000111.3A10 Q14A10-H12 PolarHBondContact O-N 3.02Å; H12-Q14 PolarHBondContact O-N 2.9Å; H12-Q14 VanDerWaalsContact O-N 3.13Å
13K65.6Low69.5Low199 Ų199149.8 Ų149.887%0.86578%0.775SS**  trans-63.5110.8170.3-87.7179.8177173.70110.2K11 R15K11-K13 PolarHBondContact O-N 2.91Å; K13-R15 PolarHBondContact O-N 3.44Å
14Q67.2Low71.5Confident195 Ų195141.7 Ų141.791%0.91174%0.743SS**PPolyproline II helixtrans-62.5117.2171.2-68.6-172.80.600110.2H12 L16H12-Q14 PolarHBondContact O-N 2.9Å; H12-Q14 VanDerWaalsContact O-N 3.13Å; Q14-L16 PolarHBondContact O-N 2.79Å
15R71.4Confident73.3Confident199 Ų199141.8 Ų141.875%0.75173%0.726SS**PPolyproline II helixtrans-71.9120.4173.3-73.4172.467.1-169.82.5109K13 K17K13-R15 PolarHBondContact O-N 3.44Å; R15-K17 PolarHBondContact O-N 2.82Å
16L76.5Confident75.1Confident166 Ų166135.5 Ų135.587%0.86969%0.687SS**PPolyproline II helixtrans-47.1129.9171.2-71158.6000110.6Q14 R18Q14-L16 PolarHBondContact O-N 2.79Å; L16-R18 PolarHBondContact O-N 2.91Å
17K77.3Confident76.8Confident210 Ų210127.8 Ų127.891%0.91365%0.653SS**  trans-58.5113.5177.8-72-177-179.21780108.9R15R15-K17 PolarHBondContact O-N 2.82Å
18R77.5Confident78.5Confident200 Ų200121.2 Ų121.276%0.75561%0.613SS**PPolyproline II helixtrans-67.9137.3174.8-66.1180176.6177.5-1.7108.4L16 G20L16-R18 PolarHBondContact O-N 2.91Å; R18-G20 PolarHBondContact O-N 2.9Å
19P78.8Confident80.2Confident126 Ų126116 Ų11682%0.81859%0.588SS**PPolyproline II helixtrans-58.3133.8176.424.1-33.1000109.9
20G79.6Confident82.1Confident66 Ų66113.2 Ų113.268%0.6856%0.559SS**PPolyproline II helixtrans-58.5147.3179.700000112.1R18 L22R18-G20 PolarHBondContact O-N 2.9Å; G20-L22 PolarHBondContact O-N 2.94Å
21R83.8Confident83.7Confident103 Ų103109 Ų10939%0.38952%0.521SS..  trans-86.3104.9-179.6-172.8-178.3156152.7-6.7110.5Y23 V24R21-Y23 HydrophobicContact CG-CD1 3.49Å; R21-Y23 VanDerWaalsContact CG-CD1 3.49Å; R21-Y23 HydrophobicContact CG-CD2 4.39Å; R21-Y23 HydrophobicContact CG-CE1 3.34Å; R21-Y23 HydrophobicContact CG-CE2 4.31Å; R21-Y23 HydrophobicContact CG-CG 4.01Å; R21-Y23 VanDerWaalsContact CZ-CZ 3.4Å; R21-Y23 VanDerWaalsContact NE-CD2 3.27Å; R21-Y23 VanDerWaalsContact NE-CZ 3.26Å; R21-Y23 PolarHBondContact NE-O 2.82Å; R21-Y23 PolarHBondContact NH2-O 3.45Å; R21-Y23 PolarHBondContact O-N 2.83Å; R21-Y23 VanDerWaalsContact O-N 3.09Å; R21-V24 VanDerWaalsContact NH2-C 3.25Å; R21-V24 PolarHBondContact NH2-O 3.26Å
22L88.9Confident85.3Confident134 Ų134102.7 Ų102.770%0.70249%0.492SS*.  trans-81.626.8178.9-60.5177.8000114.8G20G20-L22 PolarHBondContact O-N 2.94Å
23Y94.6Very high86.9Confident56 Ų56102 Ų10222%0.2248%0.481CS..EExtended strand (participates in β ladder)trans-148.6144.1-178.466.2-85000112R21 R120 V121 M122R21-Y23 HydrophobicContact CG-CD1 3.49Å; R21-Y23 VanDerWaalsContact CG-CD1 3.49Å; R21-Y23 HydrophobicContact CG-CD2 4.39Å; R21-Y23 HydrophobicContact CG-CE1 3.34Å; R21-Y23 HydrophobicContact CG-CE2 4.31Å; R21-Y23 HydrophobicContact CG-CG 4.01Å; R21-Y23 VanDerWaalsContact CZ-CZ 3.4Å; R21-Y23 VanDerWaalsContact NE-CD2 3.27Å; R21-Y23 VanDerWaalsContact NE-CZ 3.26Å; R21-Y23 PolarHBondContact NE-O 2.82Å; R21-Y23 PolarHBondContact NH2-O 3.45Å; R21-Y23 PolarHBondContact O-N 2.83Å; R21-Y23 VanDerWaalsContact O-N 3.09Å; Y23-R120 HydrophobicContact CD2-CB 3.32Å; Y23-R120 HydrophobicContact CD2-CG 3.45Å; Y23-R120 VanDerWaalsContact CD2-CG 3.45Å; Y23-R120 HydrophobicContact CE2-CB 3.82Å; Y23-R120 HydrophobicContact CE2-CG 3.34Å; Y23-R120 HydrophobicContact CG-CB 3.92Å; Y23-R120 HydrophobicContact CG-CG 4.31Å; Y23-V121 CarbonylContact C-O 3.6Å; Y23-V121 WeakPolarHBondContact CA-O 3.46Å; Y23-V121 WeakPolarHBondContact CB-O 3.44Å; Y23-M122 HydrophobicContact CG-CE 4.18Å
24V94.8Very high88.3Confident30 Ų3094.4 Ų94.418%0.18246%0.46CS..EExtended strand (participates in β ladder)trans-84.9147173.3-174.40000109.7R21 I47 Y59 V121 L123R21-V24 VanDerWaalsContact NH2-C 3.25Å; R21-V24 PolarHBondContact NH2-O 3.26Å; V24-I47 HydrophobicContact CB-CG2 4.41Å; V24-I47 HydrophobicContact CG1-CG2 3.55Å; V24-Y59 HydrophobicContact CB-CE1 4.16Å; V24-Y59 HydrophobicContact CG1-CE1 4.43Å; V24-Y59 HydrophobicContact CG2-CE1 3.8Å; V24-V121 HydrophobicContact CB-CB 4.47Å; V24-V121 PolarHBondContact N-O 3.37Å; V24-V121 PolarHBondContact O-N 3.44Å; V24-L123 HydrophobicContact CG2-CD2 3.81Å
25K95.9Very high89.7Confident98 Ų9893.3 Ų93.343%0.42646%0.46SS..EExtended strand (participates in β ladder)trans-74.4133.2174.1-70.7178.3-174.11690107.1D48K25-D48 HydrophobicContact CB-CB 3.95Å; K25-D48 VanDerWaalsContact CB-CG 3.49Å; K25-D48 WeakPolarHBondContact CB-OD2 3.47Å; K25-D48 WeakPolarHBondContact CD-OD2 3.26Å; K25-D48 WeakPolarHBondContact O-CB 3.35Å; K25-D48 PolarHBondContact O-N 3.1Å
26A96.8Very high90.9Very high0 Ų095.1 Ų95.10%047%0.466CS..EExtended strand (participates in β ladder)trans-131.9162.7164.800000109R46 I47 R118 I119 V121A26-R46 CarbonylContact C-O 3.53Å; A26-R46 WeakPolarHBondContact CA-O 3.05Å; A26-R46 WeakPolarHBondContact CB-O 3.17Å; A26-I47 HydrophobicContact CB-CG1 4.36Å; A26-R118 CarbonylContact O-C 3.53Å; A26-R118 WeakPolarHBondContact O-CA 3.01Å; A26-I119 HydrophobicContact CB-CB 4.35Å; A26-I119 PolarHBondContact N-O 3.1Å; A26-I119 PolarHBondContact O-N 3.43Å; A26-I119 VanDerWaalsContact O-O 3.12Å; A26-V121 HydrophobicContact CB-CG2 3.62Å
27T97Very high91.8Very high32 Ų3292.5 Ų92.520%0.19645%0.454CS..EExtended strand (participates in β ladder)trans-120.4132.6175.5-58.70000108.4T29 L45 R46 R118T27-T29 PolarHBondContact O-N 2.77Å; T27-L45 WeakPolarHBondContact O-CA 3.23Å; T27-R46 PolarHBondContact N-O 3.32Å; T27-R46 PolarHBondContact O-N 2.9Å; T27-R118 PolarHBondContact OG1-NH1 3.2Å
28F97Very high92.7Very high0 Ų086.5 Ų86.50%043%0.429CS..EExtended strand (participates in β ladder)trans-74110.3170.3-174-145.3000108.8G30 Y31 A43 L44 L45 L110 A114 M115 G116 K117 I119F28-G30 VanDerWaalsContact CE2-C 3.4Å; F28-G30 WeakPolarHBondContact CE2-O 3.42Å; F28-Y31 HydrophobicContact CE1-CE1 4.3Å; F28-Y31 HydrophobicContact CE2-CD1 4.49Å; F28-Y31 AromaticContact CZ-CD1 3.81Å; F28-Y31 HydrophobicContact CZ-CD1 3.81Å; F28-Y31 HydrophobicContact CZ-CD2 4.41Å; F28-Y31 AromaticContact CZ-CE1 3.62Å; F28-Y31 HydrophobicContact CZ-CE1 3.62Å; F28-Y31 HydrophobicContact CZ-CE2 4.24Å; F28-Y31 HydrophobicContact CZ-CG 4.23Å; F28-Y31 AromaticContact CZ-CZ 3.85Å; F28-A43 HydrophobicContact CD2-CB 3.99Å; F28-A43 HydrophobicContact CE2-CB 3.43Å; F28-A43 VanDerWaalsContact CE2-CB 3.43Å; F28-A43 HydrophobicContact CZ-CB 4.29Å; F28-L44 WeakPolarHBondContact CD2-O 3.35Å; F28-L45 HydrophobicContact CB-CD2 4.43Å; F28-L45 HydrophobicContact CD2-CD2 4Å; F28-L110 HydrophobicContact CD1-CB 4.39Å; F28-L110 HydrophobicContact CD1-CD1 3.85Å; F28-L110 HydrophobicContact CD2-CD1 3.68Å; F28-L110 HydrophobicContact CE1-CB 3.9Å; F28-L110 HydrophobicContact CE1-CD1 3.97Å; F28-L110 HydrophobicContact CE2-CD1 3.78Å; F28-L110 HydrophobicContact CG-CD1 3.75Å; F28-L110 HydrophobicContact CZ-CB 4.09Å; F28-L110 HydrophobicContact CZ-CD1 3.95Å; F28-A114 VanDerWaalsContact CD1-C 3.47Å; F28-A114 HydrophobicContact CD1-CB 3.77Å; F28-A114 WeakPolarHBondContact CD1-O 3.08Å; F28-A114 HydrophobicContact CE1-CB 4.26Å; F28-M115 HydrophobicContact CD1-CB 4.4Å; F28-G116 PolarHBondContact O-N 2.95Å; F28-K117 PolarHBondContact N-O 3.13Å; F28-K117 VanDerWaalsContact N-O 3.09Å; F28-I119 HydrophobicContact CB-CD1 3.57Å; F28-I119 HydrophobicContact CB-CG1 4.33Å; F28-I119 HydrophobicContact CD2-CD1 4.45Å; F28-I119 HydrophobicContact CG-CD1 4.11Å
29T96.1Very high93.6Very high64 Ų6480.6 Ų80.639%0.39341%0.41SS..EExtended strand (participates in β ladder)trans-83.4-35.2-179.9560000111.6T27 L44 R46 M115T27-T29 PolarHBondContact O-N 2.77Å; T29-L44 PolarHBondContact N-O 2.89Å; T29-L44 VanDerWaalsContact OG1-CB 3.24Å; T29-L44 WeakPolarHBondContact OG1-CB 3.16Å; T29-L44 PolarHBondContact OG1-O 2.88Å; T29-L44 VanDerWaalsContact OG1-O 3.13Å; T29-R46 HydrophobicContact CG2-CB 3.83Å; T29-M115 VanDerWaalsContact O-CG 3.24Å; T29-M115 WeakPolarHBondContact O-CG 3.44Å
30G96.5Very high94.4Very high7 Ų779.2 Ų79.27%0.07239%0.392CS..EExtended strand (participates in β ladder)trans156.8-171178.600000111.5F28 L44F28-G30 VanDerWaalsContact CE2-C 3.4Å; F28-G30 WeakPolarHBondContact CE2-O 3.42Å; G30-L44 WeakPolarHBondContact O-CA 3.46Å; G30-L44 VanDerWaalsContact O-CB 3.29Å; G30-L44 WeakPolarHBondContact O-CB 3.48Å; G30-L44 PolarHBondContact O-N 2.83Å
31Y97.1Very high95.1Very high10 Ų1078.9 Ų78.94%0.03938%0.375CS..EExtended strand (participates in β ladder)trans-85.5162.9179-51.8-80.5000111.6F28 R33 Q38 E40 T42 L110 A112F28-Y31 HydrophobicContact CE1-CE1 4.3Å; F28-Y31 HydrophobicContact CE2-CD1 4.49Å; F28-Y31 AromaticContact CZ-CD1 3.81Å; F28-Y31 HydrophobicContact CZ-CD1 3.81Å; F28-Y31 HydrophobicContact CZ-CD2 4.41Å; F28-Y31 AromaticContact CZ-CE1 3.62Å; F28-Y31 HydrophobicContact CZ-CE1 3.62Å; F28-Y31 HydrophobicContact CZ-CE2 4.24Å; F28-Y31 HydrophobicContact CZ-CG 4.23Å; F28-Y31 AromaticContact CZ-CZ 3.85Å; Y31-R33 PolarHBondContact O-N 3.21Å; Y31-Q38 HydrophobicContact CD2-CG 4.11Å; Y31-Q38 HydrophobicContact CG-CG 4.28Å; Y31-E40 VanDerWaalsContact CD1-CA 3.5Å; Y31-E40 HydrophobicContact CD1-CB 3.94Å; Y31-E40 HydrophobicContact CD1-CG 4.25Å; Y31-E40 WeakPolarHBondContact CD1-O 3.39Å; Y31-E40 HydrophobicContact CD2-CG 4.35Å; Y31-E40 HydrophobicContact CE1-CB 4.07Å; Y31-E40 HydrophobicContact CE1-CG 4.42Å; Y31-E40 HydrophobicContact CG-CB 4.34Å; Y31-E40 HydrophobicContact CG-CG 4.18Å; Y31-T42 WeakPolarHBondContact CA-O 3.44Å; Y31-L110 WeakPolarHBondContact CE1-O 3.05Å; Y31-L110 PolarHBondContact OH-O 2.81Å; Y31-A112 WeakPolarHBondContact OH-CA 3.26Å; Y31-A112 PolarHBondContact OH-N 3.46Å
32R95.8Very high95.7Very high75 Ų7574.3 Ų74.328%0.28336%0.358SS..EExtended strand (participates in β ladder)trans-61.4124.7165.3-176.2-179.375.9128.70.2108.1H39 T42R32-H39 HydrophobicContact CB-CB 4.4Å; R32-H39 PolarHBondContact NH2-CD2 3.23Å; R32-H39 VanDerWaalsContact NH2-CD2 3.33Å; R32-H39 WeakPolarHBondContact O-CA 3.33Å; R32-H39 WeakPolarHBondContact O-CB 3.29Å; R32-H39 PolarHBondContact O-N 2.92Å; R32-T42 HydrophobicContact CB-CG2 4.24Å; R32-T42 PolarHBondContact N-O 2.81Å
33R96.7Very high96.1Very high171 Ų17168 Ų6865%0.64533%0.326SS*.EExtended strand (participates in β ladder)trans-138.1153.8179.663-178.3-65.1171.41.2111.3Y31 N37Y31-R33 PolarHBondContact O-N 3.21Å; R33-N37 CarbonylContact C-O 3.56Å; R33-N37 VanDerWaalsContact CA-O 3.28Å; R33-N37 WeakPolarHBondContact CA-O 3.04Å; R33-N37 WeakPolarHBondContact CB-O 3.41Å
34G95.4Very high96.2Very high41 Ų4166.3 Ų66.342%0.42332%0.32SS..  trans-97.2-159.7159.600000110.2N37G34-N37 PolarHBondContact N-O 2.77Å
35L96.3Very high96.3Very high171 Ų17164.9 Ų64.990%0.89531%0.311SS*.SBendtrans-62.7-49.3176.3-67.6171.9000111.6
36R96.3Very high96.4Very high237 Ų23765.7 Ų65.789%0.89431%0.312SS*.SBendtrans-104.7-33.6-175.3-58.7-178.5-178.3-176.90.1113.6
37N96.6Very high96.4Very high112 Ų11265.8 Ų65.860%0.59931%0.312SS*.  trans-105.6139.8-168.7-62.9-20.9000112.8R33 G34R33-N37 CarbonylContact C-O 3.56Å; R33-N37 VanDerWaalsContact CA-O 3.28Å; R33-N37 WeakPolarHBondContact CA-O 3.04Å; R33-N37 WeakPolarHBondContact CB-O 3.41Å; G34-N37 PolarHBondContact N-O 2.77Å
38Q95.4Very high96.3Very high83 Ų8367 Ų6739%0.38832%0.318SS..EExtended strand (participates in β ladder)trans-109.4132.5173.6-173.5166.4-71.400110.7Y31 E40Y31-Q38 HydrophobicContact CD2-CG 4.11Å; Y31-Q38 HydrophobicContact CG-CG 4.28Å; Q38-E40 HydrophobicContact CG-CG 4.02Å; Q38-E40 PolarHBondContact NE2-OE1 2.84Å
39H95.6Very high96.1Very high77 Ų7771 Ų7136%0.35636%0.358SS..EExtended strand (participates in β ladder)trans-112.991.1177.6-61.7-65.9000110.6R32 N41 T42R32-H39 HydrophobicContact CB-CB 4.4Å; R32-H39 PolarHBondContact NH2-CD2 3.23Å; R32-H39 VanDerWaalsContact NH2-CD2 3.33Å; R32-H39 WeakPolarHBondContact O-CA 3.33Å; R32-H39 WeakPolarHBondContact O-CB 3.29Å; R32-H39 PolarHBondContact O-N 2.92Å; H39-N41 PolarHBondContact O-N 2.93Å; H39-T42 PolarHBondContact O-N 2.91Å
40E95.4Very high96.1Very high96 Ų9668.2 Ų68.245%0.44934%0.341SS..EExtended strand (participates in β ladder)trans-72.8-16.4-170.2-57.3-172.2163.600114.5Y31 Q38 T42Y31-E40 VanDerWaalsContact CD1-CA 3.5Å; Y31-E40 HydrophobicContact CD1-CB 3.94Å; Y31-E40 HydrophobicContact CD1-CG 4.25Å; Y31-E40 WeakPolarHBondContact CD1-O 3.39Å; Y31-E40 HydrophobicContact CD2-CG 4.35Å; Y31-E40 HydrophobicContact CE1-CB 4.07Å; Y31-E40 HydrophobicContact CE1-CG 4.42Å; Y31-E40 HydrophobicContact CG-CB 4.34Å; Y31-E40 HydrophobicContact CG-CG 4.18Å; Q38-E40 HydrophobicContact CG-CG 4.02Å; Q38-E40 PolarHBondContact NE2-OE1 2.84Å; E40-T42 PolarHBondContact O-N 2.91Å; E40-T42 VanDerWaalsContact O-N 3.1Å
41N95.6Very high96Very high60 Ų6072.7 Ų72.732%0.32137%0.367SS..EExtended strand (participates in β ladder)trans-65.3-10.5175.470.7-4000113.6H39 R105H39-N41 PolarHBondContact O-N 2.93Å; N41-R105 VanDerWaalsContact O-CG 3.23Å; N41-R105 WeakPolarHBondContact O-CG 3.24Å
42T96.7Very high95.9Very high6 Ų677.8 Ų77.84%0.03739%0.391CS..EExtended strand (participates in β ladder)trans-131.9115.7-179.6-52.10000109.7Y31 R32 H39 E40 M93 R103Y31-T42 WeakPolarHBondContact CA-O 3.44Å; R32-T42 HydrophobicContact CB-CG2 4.24Å; R32-T42 PolarHBondContact N-O 2.81Å; H39-T42 PolarHBondContact O-N 2.91Å; E40-T42 PolarHBondContact O-N 2.91Å; E40-T42 VanDerWaalsContact O-N 3.1Å; T42-M93 HydrophobicContact CG2-CE 4.19Å; T42-R103 HydrophobicContact CG2-CB 3.75Å; T42-R103 HydrophobicContact CG2-CG 4.17Å
43A97.1Very high95.8Very high3 Ų379.9 Ų79.93%0.02540%0.399CS..EExtended strand (participates in β ladder)trans-89.5143175.200000111F28 R103 A104 F106 L110F28-A43 HydrophobicContact CD2-CB 3.99Å; F28-A43 HydrophobicContact CE2-CB 3.43Å; F28-A43 VanDerWaalsContact CE2-CB 3.43Å; F28-A43 HydrophobicContact CZ-CB 4.29Å; A43-R103 CarbonylContact O-C 3.44Å; A43-R103 WeakPolarHBondContact O-CA 3.49Å; A43-A104 PolarHBondContact N-O 2.58Å; A43-A104 PolarHBondContact O-N 3.48Å; A43-F106 HydrophobicContact CB-CD2 3.99Å; A43-F106 HydrophobicContact CB-CE2 3.81Å; A43-L110 HydrophobicContact CB-CD1 3.88Å
44L97.1Very high95.7Very high19 Ų1980.2 Ų80.210%0.09941%0.405CS..EExtended strand (participates in β ladder)trans-97.4123.9169.6-58.5-178.5000109.1F28 T29 G30 H96 V101 V102 R103F28-L44 WeakPolarHBondContact CD2-O 3.35Å; T29-L44 PolarHBondContact N-O 2.89Å; T29-L44 VanDerWaalsContact OG1-CB 3.24Å; T29-L44 WeakPolarHBondContact OG1-CB 3.16Å; T29-L44 PolarHBondContact OG1-O 2.88Å; T29-L44 VanDerWaalsContact OG1-O 3.13Å; G30-L44 WeakPolarHBondContact O-CA 3.46Å; G30-L44 VanDerWaalsContact O-CB 3.29Å; G30-L44 WeakPolarHBondContact O-CB 3.48Å; G30-L44 PolarHBondContact O-N 2.83Å; L44-H96 HydrophobicContact CD2-CB 4.11Å; L44-H96 WeakPolarHBondContact CD2-CD2 3.45Å; L44-V101 HydrophobicContact CB-CG1 4.09Å; L44-V102 WeakPolarHBondContact CA-O 3.21Å; L44-R103 HydrophobicContact CD2-CG 3.91Å
45L97.1Very high95.6Very high0 Ų081.1 Ų81.10%041%0.405CS..EExtended strand (participates in β ladder)trans-117.9126.9-179.8-54.5-175.5000109.4T27 F28 C64 V101 V102 A104 F106 I119T27-L45 WeakPolarHBondContact O-CA 3.23Å; F28-L45 HydrophobicContact CB-CD2 4.43Å; F28-L45 HydrophobicContact CD2-CD2 4Å; L45-C64 HydrophobicContact CD1-CB 4.21Å; L45-V101 WeakPolarHBondContact O-CA 3.48Å; L45-V101 WeakPolarHBondContact O-CG1 3.39Å; L45-V102 HydrophobicContact CB-CG2 3.8Å; L45-V102 PolarHBondContact N-O 3.07Å; L45-V102 PolarHBondContact O-N 3.37Å; L45-A104 HydrophobicContact CD1-CB 3.45Å; L45-A104 VanDerWaalsContact CD1-CB 3.45Å; L45-A104 HydrophobicContact CG-CB 3.89Å; L45-F106 HydrophobicContact CD1-CE2 4.41Å; L45-F106 HydrophobicContact CD1-CZ 4.31Å; L45-F106 HydrophobicContact CD2-CE2 4.46Å; L45-I119 HydrophobicContact CD1-CG2 4.17Å; L45-I119 HydrophobicContact CD2-CB 4.48Å; L45-I119 HydrophobicContact CD2-CD1 3.29Å; L45-I119 HydrophobicContact CD2-CG1 4.42Å; L45-I119 HydrophobicContact CD2-CG2 4.42Å
46R96.4Very high95.5Very high115 Ų11573.1 Ų73.143%0.43436%0.363SS..EExtended strand (participates in β ladder)trans-94.2117.9167.3-173.2165.6-179.8121.5-3.1108.4A26 T27 T29 V101A26-R46 CarbonylContact C-O 3.53Å; A26-R46 WeakPolarHBondContact CA-O 3.05Å; A26-R46 WeakPolarHBondContact CB-O 3.17Å; T27-R46 PolarHBondContact N-O 3.32Å; T27-R46 PolarHBondContact O-N 2.9Å; T29-R46 HydrophobicContact CG2-CB 3.83Å; R46-V101 HydrophobicContact CB-CG2 4.44Å
47I96.4Very high95.4Very high2 Ų265.8 Ų65.81%0.0134%0.342CS..EExtended strand (participates in β ladder)trans-87.4131.6179.1-54.9178.7000107.9V24 A26 G49 V50 Y59 I92 V102 V121V24-I47 HydrophobicContact CB-CG2 4.41Å; V24-I47 HydrophobicContact CG1-CG2 3.55Å; A26-I47 HydrophobicContact CB-CG1 4.36Å; I47-G49 PolarHBondContact O-N 3.14Å; I47-V50 HydrophobicContact CB-CB 4.12Å; I47-V50 HydrophobicContact CB-CG2 3.79Å; I47-V50 HydrophobicContact CG2-CG2 3.68Å; I47-V50 PolarHBondContact O-N 2.86Å; I47-Y59 HydrophobicContact CD1-CD1 3.91Å; I47-Y59 HydrophobicContact CD1-CD2 3.87Å; I47-Y59 HydrophobicContact CD1-CG 3.51Å; I47-Y59 HydrophobicContact CG2-CE1 4.23Å; I47-Y59 HydrophobicContact CG2-CE2 4.31Å; I47-I92 HydrophobicContact CD1-CD1 4.1Å; I47-V102 HydrophobicContact CD1-CG1 4.06Å; I47-V102 HydrophobicContact CD1-CG2 3.94Å; I47-V102 HydrophobicContact CG1-CG2 4.17Å; I47-V121 HydrophobicContact CG1-CG2 4.48Å
48D95.6Very high95.2Very high59 Ų5964.6 Ų64.632%0.31633%0.331SS..THydrogen-bonded Turntrans-63.6130177.5-71.29.6000109K25 R118K25-D48 HydrophobicContact CB-CB 3.95Å; K25-D48 VanDerWaalsContact CB-CG 3.49Å; K25-D48 WeakPolarHBondContact CB-OD2 3.47Å; K25-D48 WeakPolarHBondContact CD-OD2 3.26Å; K25-D48 WeakPolarHBondContact O-CB 3.35Å; K25-D48 PolarHBondContact O-N 3.1Å; D48-R118 IonicContact OD1-NH1 3.09Å; D48-R118 PolarHBondContact OD1-NH1 3.18Å; D48-R118 VanDerWaalsContact OD1-NH1 3.09Å; D48-R118 IonicContact OD2-CZ 3.79Å; D48-R118 IonicContact OD2-NH1 2.8Å; D48-R118 PolarHBondContact OD2-NH1 3.37Å
49G94.1Very high95.2Very high82 Ų8262.2 Ų62.285%0.84532%0.319SS*.THydrogen-bonded Turntrans85.7-1.8-179.300000115.5I47I47-G49 PolarHBondContact O-N 3.14Å
50V94.7Very high95.2Very high6 Ų660 Ų604%0.03631%0.31CS..  trans-106107.1177.5-172.50000109.4I47 T56 Y59I47-V50 HydrophobicContact CB-CB 4.12Å; I47-V50 HydrophobicContact CB-CG2 3.79Å; I47-V50 HydrophobicContact CG2-CG2 3.68Å; I47-V50 PolarHBondContact O-N 2.86Å; V50-T56 HydrophobicContact CG1-CG2 3.65Å; V50-Y59 HydrophobicContact CG2-CD2 3.97Å; V50-Y59 HydrophobicContact CG2-CE2 3.45Å; V50-Y59 VanDerWaalsContact CG2-CE2 3.45Å
51V94.4Very high95.2Very high101 Ų10156.3 Ų56.361%0.61230%0.298SS*.  trans-105.9-35.4179.9-176.30000111.4S99 G100V51-S99 CarbonylContact O-C 2.95Å; V51-S99 VanDerWaalsContact O-CA 3.23Å; V51-S99 WeakPolarHBondContact O-CA 3.37Å; V51-G100 PolarHBondContact O-N 3.26Å; V51-G100 VanDerWaalsContact O-N 3.1Å
52E94.6Very high95.2Very high118 Ų11853.5 Ų53.555%0.55128%0.282SS*.SBendtrans-96.2150.7-177.3-63.5-179.4-171.100112.6K54 S55E52-K54 VanDerWaalsContact C-N 3.32Å; E52-K54 PolarHBondContact O-N 3.33Å; E52-S55 PolarHBondContact O-N 2.59Å
53R93.9Very high95.3Very high119 Ų11958.5 Ų58.545%0.44930%0.301SS..THydrogen-bonded Turntrans-59.4-41.1172.3-175.2-179.5174.787.3-1.9112.2S55 T56 P95 G97 N98R53-S55 VanDerWaalsContact C-N 3.31Å; R53-S55 PolarHBondContact O-N 3.38Å; R53-T56 WeakPolarHBondContact O-CB 3.38Å; R53-T56 PolarHBondContact O-N 3.33Å; R53-T56 VanDerWaalsContact O-N 3.07Å; R53-T56 PolarHBondContact O-OG1 2.86Å; R53-P95 HydrophobicContact CG-CB 4.26Å; R53-P95 VanDerWaalsContact CZ-CG 3.45Å; R53-G97 PolarHBondContact NH1-O 3.06Å; R53-N98 PolarHBondContact N-O 2.55Å
54K94.2Very high95.2Very high178 Ų17858.4 Ų58.477%0.77430%0.299SS*.G310 helixtrans-58.8-43.9-178.1-68-178.5178.7178.30111.3E52 T56 D57E52-K54 VanDerWaalsContact C-N 3.32Å; E52-K54 PolarHBondContact O-N 3.33Å; K54-T56 PolarHBondContact O-N 3.02Å; K54-D57 WeakPolarHBondContact O-CB 3.44Å; K54-D57 PolarHBondContact O-N 3.02Å; K54-D57 VanDerWaalsContact O-N 3.1Å
55S93.6Very high95.2Very high59 Ų5957.7 Ų57.741%0.41330%0.296SS..G310 helixtrans-66.3-17.3178.5-49.30000114.3E52 R53 D57E52-S55 PolarHBondContact O-N 2.59Å; R53-S55 VanDerWaalsContact C-N 3.31Å; R53-S55 PolarHBondContact O-N 3.38Å; S55-D57 VanDerWaalsContact C-N 3.27Å; S55-D57 PolarHBondContact O-N 3.39Å
56T94.3Very high95.2Very high3 Ų358.1 Ų58.12%0.01830%0.298CS..G310 helixtrans-71.2-23.1174.1680000113V50 R53 K54 F58 Y59 L60 P95 G100 V102V50-T56 HydrophobicContact CG1-CG2 3.65Å; R53-T56 WeakPolarHBondContact O-CB 3.38Å; R53-T56 PolarHBondContact O-N 3.33Å; R53-T56 VanDerWaalsContact O-N 3.07Å; R53-T56 PolarHBondContact O-OG1 2.86Å; K54-T56 PolarHBondContact O-N 3.02Å; T56-F58 VanDerWaalsContact C-N 3.27Å; T56-F58 PolarHBondContact O-N 3.09Å; T56-Y59 PolarHBondContact O-N 3.23Å; T56-L60 PolarHBondContact O-N 2.59Å; T56-P95 WeakPolarHBondContact OG1-CB 3.3Å; T56-G100 WeakPolarHBondContact CG2-O 3.5Å; T56-V102 HydrophobicContact CG2-CG1 3.91Å
57D93.8Very high95.1Very high84 Ų8454.7 Ų54.745%0.44929%0.29SS..G310 helixtrans-55.4-47.1-174.5-172.878.7000110K54 S55 Y59 L60 R127K54-D57 WeakPolarHBondContact O-CB 3.44Å; K54-D57 PolarHBondContact O-N 3.02Å; K54-D57 VanDerWaalsContact O-N 3.1Å; S55-D57 VanDerWaalsContact C-N 3.27Å; S55-D57 PolarHBondContact O-N 3.39Å; D57-Y59 PolarHBondContact O-N 3.12Å; D57-L60 VanDerWaalsContact O-CB 3.26Å; D57-L60 WeakPolarHBondContact O-CB 3.39Å; D57-L60 VanDerWaalsContact O-CG 3.29Å; D57-L60 WeakPolarHBondContact O-CG 3.37Å; D57-L60 PolarHBondContact O-N 2.9Å; D57-L60 WeakPolarHBondContact OD1-CD1 3.41Å; D57-R127 PolarHBondContact O-NH2 3.1Å; D57-R127 IonicContact OD2-CZ 3.96Å; D57-R127 IonicContact OD2-NH1 3.23Å; D57-R127 PolarHBondContact OD2-NH1 3.4Å; D57-R127 IonicContact OD2-NH2 3.78Å
58F93.7Very high95.1Very high86 Ų8658.1 Ų58.138%0.37730%0.303SS..G310 helixtrans-48.5-39.3177.2177.9-99000113.8T56 L60 K62 L123 R127 V128T56-F58 VanDerWaalsContact C-N 3.27Å; T56-F58 PolarHBondContact O-N 3.09Å; F58-L60 VanDerWaalsContact C-N 3.34Å; F58-K62 WeakPolarHBondContact O-CE 3.5Å; F58-L123 HydrophobicContact CE1-CD2 4.14Å; F58-R127 PolarHBondContact O-NH2 3.22Å; F58-R127 VanDerWaalsContact O-NH2 3.14Å; F58-V128 HydrophobicContact CD2-CG2 4.37Å; F58-V128 HydrophobicContact CE2-CG2 3.87Å
59Y95.1Very high95Very high34 Ų3465.4 Ų65.413%0.13333%0.326CS..G310 helixtrans-83.4-7.1-177-66.1-79.8000114.2V24 I47 V50 T56 D57 G61 K62 I92 V121V24-Y59 HydrophobicContact CB-CE1 4.16Å; V24-Y59 HydrophobicContact CG1-CE1 4.43Å; V24-Y59 HydrophobicContact CG2-CE1 3.8Å; I47-Y59 HydrophobicContact CD1-CD1 3.91Å; I47-Y59 HydrophobicContact CD1-CD2 3.87Å; I47-Y59 HydrophobicContact CD1-CG 3.51Å; I47-Y59 HydrophobicContact CG2-CE1 4.23Å; I47-Y59 HydrophobicContact CG2-CE2 4.31Å; V50-Y59 HydrophobicContact CG2-CD2 3.97Å; V50-Y59 HydrophobicContact CG2-CE2 3.45Å; V50-Y59 VanDerWaalsContact CG2-CE2 3.45Å; T56-Y59 PolarHBondContact O-N 3.23Å; D57-Y59 PolarHBondContact O-N 3.12Å; Y59-G61 PolarHBondContact O-N 3.14Å; Y59-K62 VanDerWaalsContact O-CB 3.3Å; Y59-K62 WeakPolarHBondContact O-CB 3.41Å; Y59-K62 WeakPolarHBondContact O-CG 3.45Å; Y59-K62 PolarHBondContact O-N 3.42Å; Y59-I92 WeakPolarHBondContact O-CB 3.25Å; Y59-I92 WeakPolarHBondContact O-CG2 3.31Å; Y59-V121 HydrophobicContact CD1-CG1 3.86Å; Y59-V121 HydrophobicContact CE1-CG1 4.43Å
60L94.9Very high95Very high31 Ų3162.6 Ų62.616%0.16229%0.294CS..THydrogen-bonded Turntrans-62.9137.4174.5-58.1-176.9000110.5T56 D57 F58 K62 I92 R127T56-L60 PolarHBondContact O-N 2.59Å; D57-L60 VanDerWaalsContact O-CB 3.26Å; D57-L60 WeakPolarHBondContact O-CB 3.39Å; D57-L60 VanDerWaalsContact O-CG 3.29Å; D57-L60 WeakPolarHBondContact O-CG 3.37Å; D57-L60 PolarHBondContact O-N 2.9Å; D57-L60 WeakPolarHBondContact OD1-CD1 3.41Å; F58-L60 VanDerWaalsContact C-N 3.34Å; L60-K62 PolarHBondContact O-N 3.04Å; L60-I92 HydrophobicContact CD2-CG2 4.08Å; L60-R127 PolarHBondContact O-NH2 3.11Å; L60-R127 VanDerWaalsContact O-NH2 3.12Å
61G95.6Very high94.9Very high18 Ų1870.8 Ų70.819%0.18633%0.332CS..THydrogen-bonded Turntrans79.4-13.8-177.400000115.4Y59 K91 I92 P125Y59-G61 PolarHBondContact O-N 3.14Å; G61-K91 WeakPolarHBondContact O-CE 3.34Å; G61-I92 WeakPolarHBondContact CA-O 3.49Å; G61-I92 PolarHBondContact N-O 3.02Å; G61-P125 WeakPolarHBondContact O-CD 3.38Å
62K96.5Very high94.8Very high0 Ų074 Ų740%034%0.338CS..  trans-64.3147.3-179.3-58-57.9-178.5179.10112.1F58 Y59 L60 K91 I92 V121 M122 L123 P125F58-K62 WeakPolarHBondContact O-CE 3.5Å; Y59-K62 VanDerWaalsContact O-CB 3.3Å; Y59-K62 WeakPolarHBondContact O-CB 3.41Å; Y59-K62 WeakPolarHBondContact O-CG 3.45Å; Y59-K62 PolarHBondContact O-N 3.42Å; L60-K62 PolarHBondContact O-N 3.04Å; K62-K91 WeakPolarHBondContact O-CA 3.32Å; K62-I92 HydrophobicContact CB-CD1 4.37Å; K62-I92 PolarHBondContact O-N 3.13Å; K62-V121 HydrophobicContact CB-CG1 4.27Å; K62-M122 WeakPolarHBondContact CB-O 3.37Å; K62-L123 VanDerWaalsContact CD-O 3.32Å; K62-L123 WeakPolarHBondContact CD-O 3.13Å; K62-L123 WeakPolarHBondContact CE-O 3.42Å; K62-L123 PolarHBondContact NZ-O 2.99Å; K62-P125 VanDerWaalsContact CD-O 3.3Å; K62-P125 WeakPolarHBondContact CD-O 3.49Å; K62-P125 WeakPolarHBondContact CE-O 3.24Å; K62-P125 PolarHBondContact NZ-O 3.37Å
63R97.3Very high94.7Very high112 Ų11275.4 Ų75.442%0.42334%0.342SS..EExtended strand (participates in β ladder)trans-77.7138.1176.1-65.6-165.965.9177.88.2110.3G90 M122 Y124R63-G90 WeakPolarHBondContact CA-O 3.19Å; R63-M122 HydrophobicContact CB-CB 4.35Å; R63-M122 HydrophobicContact CB-CG 4.49Å; R63-M122 VanDerWaalsContact O-CB 3.25Å; R63-M122 WeakPolarHBondContact O-CB 3.4Å; R63-M122 PolarHBondContact O-N 3.47Å; R63-Y124 HydrophobicContact CB-CD2 4.25Å; R63-Y124 HydrophobicContact CB-CE2 3.95Å; R63-Y124 HydrophobicContact CG-CD2 4.23Å; R63-Y124 HydrophobicContact CG-CE2 4.17Å; R63-Y124 PolarHBondContact N-O 3.26Å
64C96.4Very high94.5Very high0 Ų075 Ų750%034%0.344CS..EExtended strand (participates in β ladder)trans-119.9151.9173.757.70000110.1L45 W89 G90 I92 F106 I119 R120 V121L45-C64 HydrophobicContact CD1-CB 4.21Å; C64-W89 CarbonylContact O-C 3.53Å; C64-G90 PolarHBondContact N-O 3.23Å; C64-G90 PolarHBondContact O-N 2.93Å; C64-I92 HydrophobicContact CB-CG1 4.48Å; C64-F106 HydrophobicContact CB-CE1 4.43Å; C64-F106 HydrophobicContact CB-CZ 4.22Å; C64-F106 WeakPolarHBondContact SG-CZ 3.45Å; C64-I119 HydrophobicContact CB-CG2 4.11Å; C64-R120 CarbonylContact C-O 3.58Å; C64-R120 WeakPolarHBondContact CA-O 3.43Å; C64-V121 HydrophobicContact CB-CG2 4.34Å
65V96.9Very high94.1Very high4 Ų471.4 Ų71.42%0.02434%0.337CS..EExtended strand (participates in β ladder)trans-141.2132.4178.664.40000111.2V67 V87 I88 W89 R120 M122V65-V67 HydrophobicContact CG1-CG2 4.14Å; V65-V67 HydrophobicContact CG2-CG2 4.03Å; V65-V87 HydrophobicContact CG2-CB 3.75Å; V65-V87 HydrophobicContact CG2-CG1 4.08Å; V65-I88 WeakPolarHBondContact CA-O 3.39Å; V65-W89 HydrophobicContact CB-CD2 4.13Å; V65-W89 HydrophobicContact CB-CE3 3.75Å; V65-W89 HydrophobicContact CB-CH2 4.27Å; V65-W89 HydrophobicContact CB-CZ3 3.84Å; V65-W89 HydrophobicContact CG1-CH2 4.4Å; V65-W89 HydrophobicContact CG1-CZ3 4.21Å; V65-W89 HydrophobicContact CG2-CD2 4.01Å; V65-W89 HydrophobicContact CG2-CE3 4.15Å; V65-W89 HydrophobicContact CG2-CH2 4.45Å; V65-W89 HydrophobicContact CG2-CZ2 4.3Å; V65-W89 HydrophobicContact CG2-CZ3 4.38Å; V65-R120 HydrophobicContact CG1-CB 3.67Å; V65-R120 HydrophobicContact CG1-CG 4.37Å; V65-R120 PolarHBondContact N-O 3.17Å; V65-R120 PolarHBondContact O-N 2.73Å; V65-M122 HydrophobicContact CG1-CE 3.39Å
66Y97Very high93.7Very high9 Ų971.5 Ų71.54%0.03533%0.33CS..EExtended strand (participates in β ladder)trans-95.2115.5165.9175.1-121.5000108.6Y68 V87 I88 L110 P111 A114 K117 I119Y66-Y68 AromaticContact CD1-CD1 3.86Å; Y66-Y68 HydrophobicContact CD1-CD1 3.86Å; Y66-Y68 HydrophobicContact CD1-CG 4.43Å; Y66-Y68 AromaticContact CE1-CD1 3.73Å; Y66-Y68 HydrophobicContact CE1-CD1 3.73Å; Y66-Y68 AromaticContact CE1-CG 3.87Å; Y66-Y68 HydrophobicContact CE1-CG 3.87Å; Y66-V87 CarbonylContact O-C 3.56Å; Y66-V87 VanDerWaalsContact O-CA 3.29Å; Y66-V87 WeakPolarHBondContact O-CA 3.3Å; Y66-I88 HydrophobicContact CD1-CD1 4.06Å; Y66-I88 HydrophobicContact CD1-CG1 4.31Å; Y66-I88 PolarHBondContact N-O 3.09Å; Y66-I88 PolarHBondContact O-N 2.84Å; Y66-L110 HydrophobicContact CD1-CD2 4Å; Y66-L110 HydrophobicContact CG-CD2 3.93Å; Y66-P111 HydrophobicContact CE1-CG 4.18Å; Y66-A114 HydrophobicContact CD1-CB 4.35Å; Y66-A114 HydrophobicContact CD2-CB 4.31Å; Y66-A114 HydrophobicContact CE1-CB 3.84Å; Y66-A114 HydrophobicContact CE2-CB 3.81Å; Y66-K117 HydrophobicContact CE2-CB 4.04Å; Y66-K117 HydrophobicContact CE2-CD 4.25Å; Y66-K117 WeakPolarHBondContact OH-CD 3.43Å; Y66-I119 HydrophobicContact CD2-CG1 4.22Å
67V95.1Very high93.2Very high44 Ų4477.9 Ų77.927%0.26737%0.371SS..EExtended strand (participates in β ladder)trans-103.8122.3178.6-175.40000107.8V65 I85 V87V65-V67 HydrophobicContact CG1-CG2 4.14Å; V65-V67 HydrophobicContact CG2-CG2 4.03Å; V67-I85 HydrophobicContact CG1-CG2 3.55Å; V67-V87 HydrophobicContact CG1-CG1 4.34Å; V67-V87 HydrophobicContact CG2-CG1 4.08Å
68Y95Very high92.7Very high73 Ų7385.7 Ų85.729%0.28639%0.394SS..EExtended strand (participates in β ladder)trans-134.6162.8-179.670.8-77000111.4Y66 I85 R86 I88Y66-Y68 AromaticContact CD1-CD1 3.86Å; Y66-Y68 HydrophobicContact CD1-CD1 3.86Å; Y66-Y68 HydrophobicContact CD1-CG 4.43Å; Y66-Y68 AromaticContact CE1-CD1 3.73Å; Y66-Y68 HydrophobicContact CE1-CD1 3.73Å; Y66-Y68 AromaticContact CE1-CG 3.87Å; Y66-Y68 HydrophobicContact CE1-CG 3.87Å; Y68-I85 WeakPolarHBondContact O-CA 3.26Å; Y68-R86 HydrophobicContact CD1-CB 3.9Å; Y68-R86 WeakPolarHBondContact CD1-O 3.39Å; Y68-R86 HydrophobicContact CD2-CB 4.33Å; Y68-R86 HydrophobicContact CE1-CB 3.32Å; Y68-R86 HydrophobicContact CE2-CB 3.84Å; Y68-R86 HydrophobicContact CE2-CG 4.35Å; Y68-R86 HydrophobicContact CG-CB 4.37Å; Y68-R86 PolarHBondContact N-O 2.81Å; Y68-R86 PolarHBondContact O-N 2.78Å; Y68-R86 VanDerWaalsContact OH-CD 3.26Å; Y68-R86 WeakPolarHBondContact OH-CD 3.22Å; Y68-I88 HydrophobicContact CE1-CD1 4.32Å; Y68-I88 HydrophobicContact CE1-CG1 3.97Å
69R94.2Very high92.1Very high213 Ų21388.6 Ų88.680%0.80440%0.403SS*.EExtended strand (participates in β ladder)trans-107.3134.8176.2-67-177.5176.6-156-0.2109.2K84 I85R69-K84 WeakPolarHBondContact CA-O 3.08Å; R69-I85 HydrophobicContact CG-CG1 4.4Å
70A93.6Very high91.3Very high22 Ų2296.3 Ų96.318%0.18244%0.44CS..EExtended strand (participates in β ladder)trans-107.3166173.100000110.6K84 R86A70-K84 PolarHBondContact N-O 2.77Å; A70-K84 WeakPolarHBondContact O-CB 3.32Å; A70-R86 HydrophobicContact CB-CG 4.36Å
71Q93.3Very high90.9Very high178 Ų178102.9 Ų102.983%0.83247%0.467SS*.EExtended strand (participates in β ladder)trans-72-51.6179.4-67.6173.2-17.700112.1K84Q71-K84 WeakPolarHBondContact O-CD 3.19Å; Q71-K84 WeakPolarHBondContact O-CE 3.29Å
72K92.8Very high90.6Very high170 Ų170104.9 Ų104.974%0.73948%0.477SS*.EExtended strand (participates in β ladder)trans-82.9138.8-179.6-62.5-175.1179.5-177.60111.6
73K91.4Very high90.4Very high147 Ų147106.2 Ų106.264%0.63949%0.485SS*.EExtended strand (participates in β ladder)trans-70142.2172.5-63.4178.9-179.9173.10109.5P82 K84K73-P82 HydrophobicContact CB-CB 4.06Å; K73-P82 HydrophobicContact CD-CG 4.37Å; K73-K84 HydrophobicContact CG-CG 3.88Å
74K88.8Confident90.3Very high111 Ų111105.9 Ų105.948%0.48349%0.487SS..EExtended strand (participates in β ladder)trans-123.1137173.9-173.3176.1179.3175.80109.5F76 P82 T83K74-F76 HydrophobicContact CB-CE2 4.42Å; K74-P82 WeakPolarHBondContact O-CA 3.38Å; K74-T83 PolarHBondContact N-O 2.87Å; K74-T83 PolarHBondContact O-N 2.71Å
75V86.3Confident90.1Very high102 Ų102109 Ų10962%0.61850%0.503SS*.EExtended strand (participates in β ladder)trans-76.1129.4168.9-1780000108P82V75-P82 HydrophobicContact CG2-CB 3.98Å
76F85Confident89.9Confident61 Ų61112.6 Ų112.627%0.26852%0.516SS..EExtended strand (participates in β ladder)trans-109.4140.1173-81.6-88.3000108.4K74 R78 R79 I85K74-F76 HydrophobicContact CB-CE2 4.42Å; F76-R78 PolarHBondContact O-N 3.01Å; F76-R79 HydrophobicContact CB-CB 4.4Å; F76-R79 PolarHBondContact O-N 3.35Å; F76-I85 WeakPolarHBondContact CE2-O 3.41Å
77P83.8Confident89.8Confident136 Ų136115 Ų11588%0.88353%0.531SS*.THydrogen-bonded Turntrans-53.8-33.2-175.2-28.534.3000114.7
78R84.3Confident89.8Confident249 Ų249113.8 Ų113.894%0.9452%0.523SS*.THydrogen-bonded Turntrans-91-0.1-178.3-62.4-174.2-179.8177.6-2114.7F76F76-R78 PolarHBondContact O-N 3.01Å
79R81.4Confident89.9Confident146 Ų146114.4 Ų114.455%0.55153%0.525SS*.EExtended strand (participates in β ladder)trans-128.1121.5-178.7-87.5-166.6161.1-169-7.2110.1F76 K81F76-R79 HydrophobicContact CB-CB 4.4Å; F76-R79 PolarHBondContact O-N 3.35Å; R79-K81 VanDerWaalsContact C-N 3.34Å; R79-K81 PolarHBondContact O-N 3.37Å
80Q77.6Confident90Very high196 Ų196104.7 Ų104.792%0.91649%0.491SS*.EExtended strand (participates in β ladder)trans-61.2-42.1176.4-63.3176.711.300112
81K87.6Confident90.2Very high170 Ų170109.4 Ų109.474%0.73951%0.508SS*.EExtended strand (participates in β ladder)trans-89.5129.6-178-65-176.3-179.6-1790111.5R79 T83R79-K81 VanDerWaalsContact C-N 3.34Å; R79-K81 PolarHBondContact O-N 3.37Å; K81-T83 WeakPolarHBondContact O-CG2 3.42Å
82P89.5Confident90.4Very high60 Ų60100.9 Ų100.939%0.3947%0.468SS..EExtended strand (participates in β ladder)trans-67.1136.5177.328.9-35.4000110.5K73 K74 V75K73-P82 HydrophobicContact CB-CB 4.06Å; K73-P82 HydrophobicContact CD-CG 4.37Å; K74-P82 WeakPolarHBondContact O-CA 3.38Å; V75-P82 HydrophobicContact CG2-CB 3.98Å
83T92Very high90.5Very high27 Ų2796.1 Ų96.117%0.16645%0.449CS..EExtended strand (participates in β ladder)trans-127.4152.3-175.264.10000112.9K74 K81 I85K74-T83 PolarHBondContact N-O 2.87Å; K74-T83 PolarHBondContact O-N 2.71Å; K81-T83 WeakPolarHBondContact O-CG2 3.42Å; T83-I85 VanDerWaalsContact C-N 3.28Å
84K93.5Very high90.7Very high106 Ų10694.5 Ų94.546%0.46144%0.439SS..EExtended strand (participates in β ladder)trans-80.4-11173.1-69.4-172.8-177.3-173.20112.7R69 A70 Q71 K73R69-K84 WeakPolarHBondContact CA-O 3.08Å; A70-K84 PolarHBondContact N-O 2.77Å; A70-K84 WeakPolarHBondContact O-CB 3.32Å; Q71-K84 WeakPolarHBondContact O-CD 3.19Å; Q71-K84 WeakPolarHBondContact O-CE 3.29Å; K73-K84 HydrophobicContact CG-CG 3.88Å
85I93.2Very high91.1Very high65 Ų6590.3 Ų90.333%0.33342%0.423SS..EExtended strand (participates in β ladder)trans-82.5128.8-175.2-59.1173.9000108.8V67 Y68 R69 F76 T83V67-I85 HydrophobicContact CG1-CG2 3.55Å; Y68-I85 WeakPolarHBondContact O-CA 3.26Å; R69-I85 HydrophobicContact CG-CG1 4.4Å; F76-I85 WeakPolarHBondContact CE2-O 3.41Å; T83-I85 VanDerWaalsContact C-N 3.28Å
86R92.7Very high91.6Very high80 Ų8088 Ų8830%0.30241%0.406SS..EExtended strand (participates in β ladder)trans-123.5155.1176.1-63.7-177.2-174.5-166.94109.3Y68 A70Y68-R86 HydrophobicContact CD1-CB 3.9Å; Y68-R86 WeakPolarHBondContact CD1-O 3.39Å; Y68-R86 HydrophobicContact CD2-CB 4.33Å; Y68-R86 HydrophobicContact CE1-CB 3.32Å; Y68-R86 HydrophobicContact CE2-CB 3.84Å; Y68-R86 HydrophobicContact CE2-CG 4.35Å; Y68-R86 HydrophobicContact CG-CB 4.37Å; Y68-R86 PolarHBondContact N-O 2.81Å; Y68-R86 PolarHBondContact O-N 2.78Å; Y68-R86 VanDerWaalsContact OH-CD 3.26Å; Y68-R86 WeakPolarHBondContact OH-CD 3.22Å; A70-R86 HydrophobicContact CB-CG 4.36Å
87V94.2Very high92Very high60 Ų6087 Ų8736%0.36441%0.412SS..EExtended strand (participates in β ladder)trans-133.6138.2-176.1-62.70000110.5V65 Y66 V67V65-V87 HydrophobicContact CG2-CB 3.75Å; V65-V87 HydrophobicContact CG2-CG1 4.08Å; Y66-V87 CarbonylContact O-C 3.56Å; Y66-V87 VanDerWaalsContact O-CA 3.29Å; Y66-V87 WeakPolarHBondContact O-CA 3.3Å; V67-V87 HydrophobicContact CG1-CG1 4.34Å; V67-V87 HydrophobicContact CG2-CG1 4.08Å
88I96.1Very high92.4Very high18 Ų1886.8 Ų86.89%0.09240%0.404CS..EExtended strand (participates in β ladder)trans-114.2117.4167.2-52.4-177.9000107.1V65 Y66 Y68 F106 H108 L110V65-I88 WeakPolarHBondContact CA-O 3.39Å; Y66-I88 HydrophobicContact CD1-CD1 4.06Å; Y66-I88 HydrophobicContact CD1-CG1 4.31Å; Y66-I88 PolarHBondContact N-O 3.09Å; Y66-I88 PolarHBondContact O-N 2.84Å; Y68-I88 HydrophobicContact CE1-CD1 4.32Å; Y68-I88 HydrophobicContact CE1-CG1 3.97Å; I88-F106 HydrophobicContact CG2-CB 4.03Å; I88-F106 HydrophobicContact CG2-CD1 3.96Å; I88-F106 HydrophobicContact CG2-CG 4.38Å; I88-H108 HydrophobicContact CG2-CB 4.24Å; I88-H108 WeakPolarHBondContact CG2-O 3.49Å; I88-L110 HydrophobicContact CB-CD2 4.4Å; I88-L110 HydrophobicContact CD1-CD2 4.4Å; I88-L110 HydrophobicContact CG2-CD2 4.38Å
89W96.8Very high92.8Very high85 Ų8577.7 Ų77.732%0.32238%0.378SS..EExtended strand (participates in β ladder)trans-90.2148.3179.7-71.998.4000111.5C64 V65 F106 K107 M122 Y124C64-W89 CarbonylContact O-C 3.53Å; V65-W89 HydrophobicContact CB-CD2 4.13Å; V65-W89 HydrophobicContact CB-CE3 3.75Å; V65-W89 HydrophobicContact CB-CH2 4.27Å; V65-W89 HydrophobicContact CB-CZ3 3.84Å; V65-W89 HydrophobicContact CG1-CH2 4.4Å; V65-W89 HydrophobicContact CG1-CZ3 4.21Å; V65-W89 HydrophobicContact CG2-CD2 4.01Å; V65-W89 HydrophobicContact CG2-CE3 4.15Å; V65-W89 HydrophobicContact CG2-CH2 4.45Å; V65-W89 HydrophobicContact CG2-CZ2 4.3Å; V65-W89 HydrophobicContact CG2-CZ3 4.38Å; W89-F106 CarbonylContact O-C 3.42Å; W89-F106 WeakPolarHBondContact O-CA 3.34Å; W89-K107 PolarHBondContact O-N 3.13Å; W89-M122 HydrophobicContact CZ3-CG 4.32Å; W89-Y124 WeakPolarHBondContact CH2-OH 3.43Å
90G97.2Very high93.4Very high10 Ų1070.8 Ų70.810%0.10335%0.353CS..EExtended strand (participates in β ladder)trans-152.9-175.9174.700000112.9R63 C64 R105R63-G90 WeakPolarHBondContact CA-O 3.19Å; C64-G90 PolarHBondContact N-O 3.23Å; C64-G90 PolarHBondContact O-N 2.93Å; G90-R105 CarbonylContact C-O 3.39Å; G90-R105 WeakPolarHBondContact CA-O 3.35Å
91K97.3Very high94.3Very high120 Ų12062.1 Ų62.152%0.52231%0.313SS..EExtended strand (participates in β ladder)trans-135.5137.8178.6-175.7177.4178.1-179.40109.6G61 K62 A104 R105G61-K91 WeakPolarHBondContact O-CE 3.34Å; K62-K91 WeakPolarHBondContact O-CA 3.32Å; K91-A104 VanDerWaalsContact O-CA 3.31Å; K91-A104 WeakPolarHBondContact O-CA 3.45Å; K91-R105 PolarHBondContact N-O 3.27Å; K91-R105 PolarHBondContact O-N 2.76Å
92I96.9Very high94.8Very high0 Ų054 Ų540%028%0.278CS..EExtended strand (participates in β ladder)trans-75.9128.2170-63174.1000108.5I47 Y59 L60 G61 K62 C64 V102 A104 V121I47-I92 HydrophobicContact CD1-CD1 4.1Å; Y59-I92 WeakPolarHBondContact O-CB 3.25Å; Y59-I92 WeakPolarHBondContact O-CG2 3.31Å; L60-I92 HydrophobicContact CD2-CG2 4.08Å; G61-I92 WeakPolarHBondContact CA-O 3.49Å; G61-I92 PolarHBondContact N-O 3.02Å; K62-I92 HydrophobicContact CB-CD1 4.37Å; K62-I92 PolarHBondContact O-N 3.13Å; C64-I92 HydrophobicContact CB-CG1 4.48Å; I92-V102 HydrophobicContact CD1-CG2 4.12Å; I92-V102 HydrophobicContact CG1-CG2 4.19Å; I92-V102 HydrophobicContact CG2-CB 3.79Å; I92-V102 HydrophobicContact CG2-CG1 4.25Å; I92-V102 HydrophobicContact CG2-CG2 3.79Å; I92-A104 HydrophobicContact CG1-CB 4.47Å; I92-V121 HydrophobicContact CD1-CB 4.36Å; I92-V121 HydrophobicContact CD1-CG1 3.44Å; I92-V121 VanDerWaalsContact CD1-CG1 3.44Å; I92-V121 HydrophobicContact CD1-CG2 3.95Å
93M96.1Very high95.1Very high69 Ų6953.6 Ų53.634%0.3427%0.268SS..EExtended strand (participates in β ladder)trans-104-60.1-173.2-63.7-168.3-65.100113.2T42 R103 R105T42-M93 HydrophobicContact CG2-CE 4.19Å; M93-R103 PolarHBondContact N-O 2.98Å; M93-R105 HydrophobicContact CE-CB 3.89Å; M93-R105 HydrophobicContact CE-CG 3.46Å; M93-R105 VanDerWaalsContact CE-CG 3.46Å; M93-R105 HydrophobicContact CG-CB 4.2Å; M93-R105 HydrophobicContact SD-CB 3.69Å; M93-R105 WeakPolarHBondContact SD-CD 3.29Å; M93-R105 HydrophobicContact SD-CG 3.63Å
94R95.2Very high95.4Very high113 Ų11352.3 Ų52.343%0.42626%0.26SS..EExtended strand (participates in β ladder)trans-147.6153.5-17062-178.1172.3172.4-0.5110.6R103R94-R103 HydrophobicContact CG-CB 3.9Å; R94-R103 HydrophobicContact CG-CG 4.12Å; R94-R103 WeakPolarHBondContact O-CB 3.4Å; R94-R103 PolarHBondContact O-N 3.47Å
95P96.8Very high95.5Very high23 Ų2353.3 Ų53.315%0.14926%0.261CS..EExtended strand (participates in β ladder)trans-63.7155.1172.927.5-35.8000112.3R53 T56R53-P95 HydrophobicContact CG-CB 4.26Å; R53-P95 VanDerWaalsContact CZ-CG 3.45Å; T56-P95 WeakPolarHBondContact OG1-CB 3.3Å
96H95.6Very high95.7Very high55 Ų5551.1 Ų51.126%0.25525%0.249SC..EExtended strand (participates in β ladder)trans-125.5118.7174.6-171.446.2000110.8L44 V101 R103L44-H96 HydrophobicContact CD2-CB 4.11Å; L44-H96 WeakPolarHBondContact CD2-CD2 3.45Å; H96-V101 WeakPolarHBondContact CA-O 3.45Å; H96-V101 HydrophobicContact CB-CB 4.18Å; H96-V101 HydrophobicContact CB-CG1 4.04Å; H96-V101 PolarHBondContact N-O 2.83Å; H96-V101 VanDerWaalsContact O-O 3.1Å; H96-R103 HydrophobicContact CB-CG 3.81Å; H96-R103 PolarHBondContact ND1-NE 3.33Å; H96-R103 PolarHBondContact ND1-NH2 3.28Å
97G93.3Very high95.9Very high39 Ų3955.7 Ų55.740%0.40227%0.271SS..THydrogen-bonded Turntrans62.4-157.7-177.500000112.5R53R53-G97 PolarHBondContact NH1-O 3.06Å
98N93.6Very high95.9Very high132 Ų13258.9 Ų58.971%0.70628%0.282SS*.THydrogen-bonded Turntrans-107.2-8.2-177.7-64.9-19.7000113.4R53 G100R53-N98 PolarHBondContact N-O 2.55Å; N98-G100 PolarHBondContact O-N 2.76Å
99S93.3Very high95.8Very high58 Ų5862 Ų6241%0.40630%0.299SS..THydrogen-bonded Turntrans-94.125.2-171.157.50000115V51 V101V51-S99 CarbonylContact O-C 2.95Å; V51-S99 VanDerWaalsContact O-CA 3.23Å; V51-S99 WeakPolarHBondContact O-CA 3.37Å; S99-V101 PolarHBondContact O-N 2.75Å
100G92.9Very high95.7Very high1 Ų158.1 Ų58.11%0.0129%0.285CS..THydrogen-bonded Turntrans74.55.7176.800000115.6V51 T56 N98V51-G100 PolarHBondContact O-N 3.26Å; V51-G100 VanDerWaalsContact O-N 3.1Å; T56-G100 WeakPolarHBondContact CG2-O 3.5Å; N98-G100 PolarHBondContact O-N 2.76Å
101V96.6Very high95.7Very high14 Ų1460 Ų609%0.08530%0.295CS..EExtended strand (participates in β ladder)trans-74.7145.2176-1780000109.5L44 L45 R46 H96 S99L44-V101 HydrophobicContact CB-CG1 4.09Å; L45-V101 WeakPolarHBondContact O-CA 3.48Å; L45-V101 WeakPolarHBondContact O-CG1 3.39Å; R46-V101 HydrophobicContact CB-CG2 4.44Å; H96-V101 WeakPolarHBondContact CA-O 3.45Å; H96-V101 HydrophobicContact CB-CB 4.18Å; H96-V101 HydrophobicContact CB-CG1 4.04Å; H96-V101 PolarHBondContact N-O 2.83Å; H96-V101 VanDerWaalsContact O-O 3.1Å; S99-V101 PolarHBondContact O-N 2.75Å
102V97.1Very high95.6Very high0 Ų057.5 Ų57.50%030%0.296CS..EExtended strand (participates in β ladder)trans-121.9150178.3-57.90000111.7L44 L45 I47 T56 I92L44-V102 WeakPolarHBondContact CA-O 3.21Å; L45-V102 HydrophobicContact CB-CG2 3.8Å; L45-V102 PolarHBondContact N-O 3.07Å; L45-V102 PolarHBondContact O-N 3.37Å; I47-V102 HydrophobicContact CD1-CG1 4.06Å; I47-V102 HydrophobicContact CD1-CG2 3.94Å; I47-V102 HydrophobicContact CG1-CG2 4.17Å; T56-V102 HydrophobicContact CG2-CG1 3.91Å; I92-V102 HydrophobicContact CD1-CG2 4.12Å; I92-V102 HydrophobicContact CG1-CG2 4.19Å; I92-V102 HydrophobicContact CG2-CB 3.79Å; I92-V102 HydrophobicContact CG2-CG1 4.25Å; I92-V102 HydrophobicContact CG2-CG2 3.79Å
103R97.1Very high95.5Very high50 Ų5061.1 Ų61.119%0.18932%0.322CS..EExtended strand (participates in β ladder)trans-89.7127.8170.3-58.2-170.2175.7146.2-8.4109.1T42 A43 L44 M93 R94 H96T42-R103 HydrophobicContact CG2-CB 3.75Å; T42-R103 HydrophobicContact CG2-CG 4.17Å; A43-R103 CarbonylContact O-C 3.44Å; A43-R103 WeakPolarHBondContact O-CA 3.49Å; L44-R103 HydrophobicContact CD2-CG 3.91Å; M93-R103 PolarHBondContact N-O 2.98Å; R94-R103 HydrophobicContact CG-CB 3.9Å; R94-R103 HydrophobicContact CG-CG 4.12Å; R94-R103 WeakPolarHBondContact O-CB 3.4Å; R94-R103 PolarHBondContact O-N 3.47Å; H96-R103 HydrophobicContact CB-CG 3.81Å; H96-R103 PolarHBondContact ND1-NE 3.33Å; H96-R103 PolarHBondContact ND1-NH2 3.28Å
104A97.4Very high95.4Very high0 Ų057.9 Ų57.90%031%0.306CS..EExtended strand (participates in β ladder)trans-121.5146.1175.500000111.4A43 L45 K91 I92 F106A43-A104 PolarHBondContact N-O 2.58Å; A43-A104 PolarHBondContact O-N 3.48Å; L45-A104 HydrophobicContact CD1-CB 3.45Å; L45-A104 VanDerWaalsContact CD1-CB 3.45Å; L45-A104 HydrophobicContact CG-CB 3.89Å; K91-A104 VanDerWaalsContact O-CA 3.31Å; K91-A104 WeakPolarHBondContact O-CA 3.45Å; I92-A104 HydrophobicContact CG1-CB 4.47Å; A104-F106 HydrophobicContact CB-CD2 4.46Å; A104-F106 HydrophobicContact CB-CE2 3.87Å
105R97.2Very high95.5Very high128 Ų12857 Ų5748%0.48331%0.308SS..EExtended strand (participates in β ladder)trans-109.8128.3170.1-105.9-175.4166.5-177.1-8.6109.2N41 G90 K91 M93N41-R105 VanDerWaalsContact O-CG 3.23Å; N41-R105 WeakPolarHBondContact O-CG 3.24Å; G90-R105 CarbonylContact C-O 3.39Å; G90-R105 WeakPolarHBondContact CA-O 3.35Å; K91-R105 PolarHBondContact N-O 3.27Å; K91-R105 PolarHBondContact O-N 2.76Å; M93-R105 HydrophobicContact CE-CB 3.89Å; M93-R105 HydrophobicContact CE-CG 3.46Å; M93-R105 VanDerWaalsContact CE-CG 3.46Å; M93-R105 HydrophobicContact CG-CB 4.2Å; M93-R105 HydrophobicContact SD-CB 3.69Å; M93-R105 WeakPolarHBondContact SD-CD 3.29Å; M93-R105 HydrophobicContact SD-CG 3.63Å
106F97Very high95.4Very high18 Ų1858.5 Ų58.58%0.07933%0.327CS..EExtended strand (participates in β ladder)trans-103.8151.9175.7-71.5-96.1000110A43 L45 C64 I88 W89 A104 H108 L110 I119A43-F106 HydrophobicContact CB-CD2 3.99Å; A43-F106 HydrophobicContact CB-CE2 3.81Å; L45-F106 HydrophobicContact CD1-CE2 4.41Å; L45-F106 HydrophobicContact CD1-CZ 4.31Å; L45-F106 HydrophobicContact CD2-CE2 4.46Å; C64-F106 HydrophobicContact CB-CE1 4.43Å; C64-F106 HydrophobicContact CB-CZ 4.22Å; C64-F106 WeakPolarHBondContact SG-CZ 3.45Å; I88-F106 HydrophobicContact CG2-CB 4.03Å; I88-F106 HydrophobicContact CG2-CD1 3.96Å; I88-F106 HydrophobicContact CG2-CG 4.38Å; W89-F106 CarbonylContact O-C 3.42Å; W89-F106 WeakPolarHBondContact O-CA 3.34Å; A104-F106 HydrophobicContact CB-CD2 4.46Å; A104-F106 HydrophobicContact CB-CE2 3.87Å; F106-H108 VanDerWaalsContact C-N 3.27Å; F106-H108 WeakPolarHBondContact CB-O 3.35Å; F106-H108 PolarHBondContact O-N 3.07Å; F106-L110 HydrophobicContact CD1-CD2 3.88Å; F106-L110 HydrophobicContact CD1-CG 4.29Å; F106-L110 HydrophobicContact CD2-CD1 3.83Å; F106-L110 HydrophobicContact CD2-CD2 4.19Å; F106-L110 HydrophobicContact CD2-CG 3.69Å; F106-L110 HydrophobicContact CE1-CD1 4.48Å; F106-L110 HydrophobicContact CE1-CD2 3.93Å; F106-L110 HydrophobicContact CE1-CG 4.41Å; F106-L110 HydrophobicContact CE2-CD1 3.46Å; F106-L110 VanDerWaalsContact CE2-CD1 3.46Å; F106-L110 HydrophobicContact CE2-CD2 4.24Å; F106-L110 HydrophobicContact CE2-CG 3.83Å; F106-L110 HydrophobicContact CG-CD1 4.49Å; F106-L110 HydrophobicContact CG-CD2 4.02Å; F106-L110 HydrophobicContact CG-CG 3.94Å; F106-L110 HydrophobicContact CZ-CD1 3.83Å; F106-L110 HydrophobicContact CZ-CD2 4.11Å; F106-L110 HydrophobicContact CZ-CG 4.2Å; F106-I119 HydrophobicContact CZ-CD1 3.97Å; F106-I119 HydrophobicContact CZ-CG2 4.3Å
107K95.4Very high95.5Very high176 Ų17660.6 Ų60.677%0.76534%0.336SS*.SBendtrans-60.6-41.3177.8-178.4177.1-179.8177.50111.2W89W89-K107 PolarHBondContact O-N 3.13Å
108H94.8Very high95.6Very high127 Ų12765.2 Ų65.259%0.58834%0.341SS*.SBendtrans-115.9138.6164.9-60-70.1000107I88 F106 L110I88-H108 HydrophobicContact CG2-CB 4.24Å; I88-H108 WeakPolarHBondContact CG2-O 3.49Å; F106-H108 VanDerWaalsContact C-N 3.27Å; F106-H108 WeakPolarHBondContact CB-O 3.35Å; F106-H108 PolarHBondContact O-N 3.07Å; H108-L110 PolarHBondContact O-N 2.87Å
109N94.6Very high95.8Very high83 Ų8359 Ų5944%0.44431%0.308SS..PPolyproline II helixtrans-56141.8178.7-63.9-19.5000109.6
110L95.3Very high95.9Very high5 Ų560.8 Ų60.83%0.02631%0.306CS..PPolyproline II helixtrans-62.9142.5175.1-68.4177.3000108.8F28 Y31 A43 Y66 I88 F106 H108 A114 I119F28-L110 HydrophobicContact CD1-CB 4.39Å; F28-L110 HydrophobicContact CD1-CD1 3.85Å; F28-L110 HydrophobicContact CD2-CD1 3.68Å; F28-L110 HydrophobicContact CE1-CB 3.9Å; F28-L110 HydrophobicContact CE1-CD1 3.97Å; F28-L110 HydrophobicContact CE2-CD1 3.78Å; F28-L110 HydrophobicContact CG-CD1 3.75Å; F28-L110 HydrophobicContact CZ-CB 4.09Å; F28-L110 HydrophobicContact CZ-CD1 3.95Å; Y31-L110 WeakPolarHBondContact CE1-O 3.05Å; Y31-L110 PolarHBondContact OH-O 2.81Å; A43-L110 HydrophobicContact CB-CD1 3.88Å; Y66-L110 HydrophobicContact CD1-CD2 4Å; Y66-L110 HydrophobicContact CG-CD2 3.93Å; I88-L110 HydrophobicContact CB-CD2 4.4Å; I88-L110 HydrophobicContact CD1-CD2 4.4Å; I88-L110 HydrophobicContact CG2-CD2 4.38Å; F106-L110 HydrophobicContact CD1-CD2 3.88Å; F106-L110 HydrophobicContact CD1-CG 4.29Å; F106-L110 HydrophobicContact CD2-CD1 3.83Å; F106-L110 HydrophobicContact CD2-CD2 4.19Å; F106-L110 HydrophobicContact CD2-CG 3.69Å; F106-L110 HydrophobicContact CE1-CD1 4.48Å; F106-L110 HydrophobicContact CE1-CD2 3.93Å; F106-L110 HydrophobicContact CE1-CG 4.41Å; F106-L110 HydrophobicContact CE2-CD1 3.46Å; F106-L110 VanDerWaalsContact CE2-CD1 3.46Å; F106-L110 HydrophobicContact CE2-CD2 4.24Å; F106-L110 HydrophobicContact CE2-CG 3.83Å; F106-L110 HydrophobicContact CG-CD1 4.49Å; F106-L110 HydrophobicContact CG-CD2 4.02Å; F106-L110 HydrophobicContact CG-CG 3.94Å; F106-L110 HydrophobicContact CZ-CD1 3.83Å; F106-L110 HydrophobicContact CZ-CD2 4.11Å; F106-L110 HydrophobicContact CZ-CG 4.2Å; H108-L110 PolarHBondContact O-N 2.87Å; L110-A114 HydrophobicContact CB-CB 4.46Å; L110-I119 HydrophobicContact CD1-CD1 3.58Å
111P95.6Very high96.1Very high49 Ų4960.8 Ų60.832%0.31831%0.305SS..PPolyproline II helixtrans-72.4151.1172.130.3-34.1000110.4Y66 S113 A114Y66-P111 HydrophobicContact CE1-CG 4.18Å; P111-S113 PolarHBondContact O-N 2.8Å; P111-S113 VanDerWaalsContact O-N 3.14Å; P111-A114 HydrophobicContact CG-CB 4.13Å; P111-A114 WeakPolarHBondContact O-CB 3.48Å; P111-A114 PolarHBondContact O-N 3.09Å
112A94.9Very high96.1Very high67 Ų6761 Ų6155%0.55431%0.306SS*.G310 helixtrans-58.4-31.3178.600000112.1Y31 A114 M115Y31-A112 WeakPolarHBondContact OH-CA 3.26Å; Y31-A112 PolarHBondContact OH-N 3.46Å; A112-A114 PolarHBondContact O-N 2.73Å; A112-M115 VanDerWaalsContact O-CB 3.26Å; A112-M115 WeakPolarHBondContact O-CB 3.49Å; A112-M115 PolarHBondContact O-N 3.22Å
113S95.1Very high95.9Very high77 Ų7764.4 Ų64.454%0.53832%0.324SS..G310 helixtrans-63.3-10.1173.769.20000114.7P111 M115 K117P111-S113 PolarHBondContact O-N 2.8Å; P111-S113 VanDerWaalsContact O-N 3.14Å; S113-M115 VanDerWaalsContact C-N 3.33Å; S113-K117 WeakPolarHBondContact O-CD 3.47Å; S113-K117 WeakPolarHBondContact O-CE 3.4Å; S113-K117 PolarHBondContact O-NZ 3.17Å
114A94.9Very high95.8Very high0 Ų066.8 Ų66.80%033%0.333CS..G310 helixtrans-81.3-12.2172.400000112.8F28 Y66 L110 P111 A112 G116 K117F28-A114 VanDerWaalsContact CD1-C 3.47Å; F28-A114 HydrophobicContact CD1-CB 3.77Å; F28-A114 WeakPolarHBondContact CD1-O 3.08Å; F28-A114 HydrophobicContact CE1-CB 4.26Å; Y66-A114 HydrophobicContact CD1-CB 4.35Å; Y66-A114 HydrophobicContact CD2-CB 4.31Å; Y66-A114 HydrophobicContact CE1-CB 3.84Å; Y66-A114 HydrophobicContact CE2-CB 3.81Å; L110-A114 HydrophobicContact CB-CB 4.46Å; P111-A114 HydrophobicContact CG-CB 4.13Å; P111-A114 WeakPolarHBondContact O-CB 3.48Å; P111-A114 PolarHBondContact O-N 3.09Å; A112-A114 PolarHBondContact O-N 2.73Å; A114-G116 PolarHBondContact O-N 2.86Å; A114-K117 WeakPolarHBondContact O-CA 3.28Å; A114-K117 WeakPolarHBondContact O-CB 3.48Å; A114-K117 PolarHBondContact O-N 3.29Å
115M96.1Very high95.6Very high95 Ų9570 Ų7047%0.46835%0.354SS..THydrogen-bonded Turntrans-60136.4-177.9-162.2179.9-65.500110.3F28 T29 A112 S113 K117F28-M115 HydrophobicContact CD1-CB 4.4Å; T29-M115 VanDerWaalsContact O-CG 3.24Å; T29-M115 WeakPolarHBondContact O-CG 3.44Å; A112-M115 VanDerWaalsContact O-CB 3.26Å; A112-M115 WeakPolarHBondContact O-CB 3.49Å; A112-M115 PolarHBondContact O-N 3.22Å; S113-M115 VanDerWaalsContact C-N 3.33Å; M115-K117 PolarHBondContact O-N 2.8Å; M115-K117 VanDerWaalsContact O-N 3.13Å
116G96.1Very high95.2Very high54 Ų5467.8 Ų67.856%0.55736%0.358SS*.THydrogen-bonded Turntrans73.6-10.5-17200000114.9F28 A114F28-G116 PolarHBondContact O-N 2.95Å; A114-G116 PolarHBondContact O-N 2.86Å
117K96.4Very high94.8Very high100 Ų10073.7 Ų73.744%0.43538%0.38SS..  trans-81.6156.5179.3-60.3-173177.7152.90111.9F28 Y66 S113 A114 M115F28-K117 PolarHBondContact N-O 3.13Å; F28-K117 VanDerWaalsContact N-O 3.09Å; Y66-K117 HydrophobicContact CE2-CB 4.04Å; Y66-K117 HydrophobicContact CE2-CD 4.25Å; Y66-K117 WeakPolarHBondContact OH-CD 3.43Å; S113-K117 WeakPolarHBondContact O-CD 3.47Å; S113-K117 WeakPolarHBondContact O-CE 3.4Å; S113-K117 PolarHBondContact O-NZ 3.17Å; A114-K117 WeakPolarHBondContact O-CA 3.28Å; A114-K117 WeakPolarHBondContact O-CB 3.48Å; A114-K117 PolarHBondContact O-N 3.29Å; M115-K117 PolarHBondContact O-N 2.8Å; M115-K117 VanDerWaalsContact O-N 3.13Å
118R96.6Very high94.3Very high135 Ų13573 Ų7351%0.50939%0.39SS..EExtended strand (participates in β ladder)trans-74.1127.8-179.2-62.6-59.9-169.3154.63.4111.3A26 T27 D48A26-R118 CarbonylContact O-C 3.53Å; A26-R118 WeakPolarHBondContact O-CA 3.01Å; T27-R118 PolarHBondContact OG1-NH1 3.2Å; D48-R118 IonicContact OD1-NH1 3.09Å; D48-R118 PolarHBondContact OD1-NH1 3.18Å; D48-R118 VanDerWaalsContact OD1-NH1 3.09Å; D48-R118 IonicContact OD2-CZ 3.79Å; D48-R118 IonicContact OD2-NH1 2.8Å; D48-R118 PolarHBondContact OD2-NH1 3.37Å
119I96.6Very high94.3Very high1 Ų170.4 Ų70.41%0.00538%0.381CS..EExtended strand (participates in β ladder)trans-105.7145.9168.4-71.6176.4000108.4A26 F28 L45 C64 Y66 F106 L110A26-I119 HydrophobicContact CB-CB 4.35Å; A26-I119 PolarHBondContact N-O 3.1Å; A26-I119 PolarHBondContact O-N 3.43Å; A26-I119 VanDerWaalsContact O-O 3.12Å; F28-I119 HydrophobicContact CB-CD1 3.57Å; F28-I119 HydrophobicContact CB-CG1 4.33Å; F28-I119 HydrophobicContact CD2-CD1 4.45Å; F28-I119 HydrophobicContact CG-CD1 4.11Å; L45-I119 HydrophobicContact CD1-CG2 4.17Å; L45-I119 HydrophobicContact CD2-CB 4.48Å; L45-I119 HydrophobicContact CD2-CD1 3.29Å; L45-I119 HydrophobicContact CD2-CG1 4.42Å; L45-I119 HydrophobicContact CD2-CG2 4.42Å; C64-I119 HydrophobicContact CB-CG2 4.11Å; Y66-I119 HydrophobicContact CD2-CG1 4.22Å; F106-I119 HydrophobicContact CZ-CD1 3.97Å; F106-I119 HydrophobicContact CZ-CG2 4.3Å; L110-I119 HydrophobicContact CD1-CD1 3.58Å
120R96.6Very high94.3Very high97 Ų9769.7 Ų69.737%0.36638%0.377SS..EExtended strand (participates in β ladder)trans-101.7115.1178.1-53.1-171.7176.9-173.2-2.8108Y23 C64 V65 M122Y23-R120 HydrophobicContact CD2-CB 3.32Å; Y23-R120 HydrophobicContact CD2-CG 3.45Å; Y23-R120 VanDerWaalsContact CD2-CG 3.45Å; Y23-R120 HydrophobicContact CE2-CB 3.82Å; Y23-R120 HydrophobicContact CE2-CG 3.34Å; Y23-R120 HydrophobicContact CG-CB 3.92Å; Y23-R120 HydrophobicContact CG-CG 4.31Å; C64-R120 CarbonylContact C-O 3.58Å; C64-R120 WeakPolarHBondContact CA-O 3.43Å; V65-R120 HydrophobicContact CG1-CB 3.67Å; V65-R120 HydrophobicContact CG1-CG 4.37Å; V65-R120 PolarHBondContact N-O 3.17Å; V65-R120 PolarHBondContact O-N 2.73Å; R120-M122 HydrophobicContact CB-CE 3.6Å
121V96.5Very high94.2Very high0 Ų073.3 Ų73.30%040%0.397CS..EExtended strand (participates in β ladder)trans-94.2115.9173.4177.30000107.7Y23 V24 A26 I47 Y59 K62 C64 I92Y23-V121 CarbonylContact C-O 3.6Å; Y23-V121 WeakPolarHBondContact CA-O 3.46Å; Y23-V121 WeakPolarHBondContact CB-O 3.44Å; V24-V121 HydrophobicContact CB-CB 4.47Å; V24-V121 PolarHBondContact N-O 3.37Å; V24-V121 PolarHBondContact O-N 3.44Å; A26-V121 HydrophobicContact CB-CG2 3.62Å; I47-V121 HydrophobicContact CG1-CG2 4.48Å; Y59-V121 HydrophobicContact CD1-CG1 3.86Å; Y59-V121 HydrophobicContact CE1-CG1 4.43Å; K62-V121 HydrophobicContact CB-CG1 4.27Å; C64-V121 HydrophobicContact CB-CG2 4.34Å; I92-V121 HydrophobicContact CD1-CB 4.36Å; I92-V121 HydrophobicContact CD1-CG1 3.44Å; I92-V121 VanDerWaalsContact CD1-CG1 3.44Å; I92-V121 HydrophobicContact CD1-CG2 3.95Å
122M96.1Very high94.1Very high19 Ų1974.7 Ų74.79%0.09440%0.401CS..EExtended strand (participates in β ladder)trans-75.2154178.9-59-65.3140.600110.1Y23 K62 R63 V65 W89 R120 Y124Y23-M122 HydrophobicContact CG-CE 4.18Å; K62-M122 WeakPolarHBondContact CB-O 3.37Å; R63-M122 HydrophobicContact CB-CB 4.35Å; R63-M122 HydrophobicContact CB-CG 4.49Å; R63-M122 VanDerWaalsContact O-CB 3.25Å; R63-M122 WeakPolarHBondContact O-CB 3.4Å; R63-M122 PolarHBondContact O-N 3.47Å; V65-M122 HydrophobicContact CG1-CE 3.39Å; W89-M122 HydrophobicContact CZ3-CG 4.32Å; R120-M122 HydrophobicContact CB-CE 3.6Å; M122-Y124 VanDerWaalsContact C-N 3.27Å; M122-Y124 HydrophobicContact CB-CD1 3.71Å; M122-Y124 HydrophobicContact CB-CD2 4.28Å; M122-Y124 HydrophobicContact CB-CE1 3.45Å; M122-Y124 VanDerWaalsContact CB-CE1 3.45Å; M122-Y124 HydrophobicContact CB-CE2 4.06Å; M122-Y124 HydrophobicContact CB-CG 4.11Å; M122-Y124 HydrophobicContact CG-CD1 4.37Å; M122-Y124 HydrophobicContact CG-CE1 3.61Å; M122-Y124 HydrophobicContact CG-CE2 4.17Å; M122-Y124 VanDerWaalsContact CG-CZ 3.48Å; M122-Y124 WeakPolarHBondContact CG-OH 3.42Å; M122-Y124 HydrophobicContact SD-CE1 3.74Å
123L93.7Very high94.1Very high72 Ų7275.2 Ų75.238%0.37739%0.392SS..  trans-82.6-7.8175.4-63.1178.1000113.2V24 F58 K62V24-L123 HydrophobicContact CG2-CD2 3.81Å; F58-L123 HydrophobicContact CE1-CD2 4.14Å; K62-L123 VanDerWaalsContact CD-O 3.32Å; K62-L123 WeakPolarHBondContact CD-O 3.13Å; K62-L123 WeakPolarHBondContact CE-O 3.42Å; K62-L123 PolarHBondContact NZ-O 2.99Å
124Y94.2Very high94Very high99 Ų9975.1 Ų75.139%0.38838%0.382SS..PPolyproline II helixtrans-99.7154.8175.360.8-97000112.5R63 W89 M122R63-Y124 HydrophobicContact CB-CD2 4.25Å; R63-Y124 HydrophobicContact CB-CE2 3.95Å; R63-Y124 HydrophobicContact CG-CD2 4.23Å; R63-Y124 HydrophobicContact CG-CE2 4.17Å; R63-Y124 PolarHBondContact N-O 3.26Å; W89-Y124 WeakPolarHBondContact CH2-OH 3.43Å; M122-Y124 VanDerWaalsContact C-N 3.27Å; M122-Y124 HydrophobicContact CB-CD1 3.71Å; M122-Y124 HydrophobicContact CB-CD2 4.28Å; M122-Y124 HydrophobicContact CB-CE1 3.45Å; M122-Y124 VanDerWaalsContact CB-CE1 3.45Å; M122-Y124 HydrophobicContact CB-CE2 4.06Å; M122-Y124 HydrophobicContact CB-CG 4.11Å; M122-Y124 HydrophobicContact CG-CD1 4.37Å; M122-Y124 HydrophobicContact CG-CE1 3.61Å; M122-Y124 HydrophobicContact CG-CE2 4.17Å; M122-Y124 VanDerWaalsContact CG-CZ 3.48Å; M122-Y124 WeakPolarHBondContact CG-OH 3.42Å; M122-Y124 HydrophobicContact SD-CE1 3.74Å
125P94.3Very high93.9Very high69 Ų6980.4 Ų80.445%0.44841%0.409SS..SBendcis-62.9134.6-826.2-35.9000112.2G61 K62G61-P125 WeakPolarHBondContact O-CD 3.38Å; K62-P125 VanDerWaalsContact CD-O 3.3Å; K62-P125 WeakPolarHBondContact CD-O 3.49Å; K62-P125 WeakPolarHBondContact CE-O 3.24Å; K62-P125 PolarHBondContact NZ-O 3.37Å
126S89.4Confident93.8Very high81 Ų8179.3 Ų79.357%0.56641%0.405SS*.PPolyproline II helixtrans-70.8147.6178.6-155.90000110.5V128S126-V128 WeakPolarHBondContact CB-O 3.23Å; S126-V128 PolarHBondContact OG-N 3.37Å; S126-V128 PolarHBondContact OG-O 3.09Å
127R87.8Confident93.6Very high142 Ų14281.4 Ų81.454%0.53639%0.392SS..  trans-122.22.7168.8-78.7-170.4-72149.44.2111.2D57 F58 L60D57-R127 PolarHBondContact O-NH2 3.1Å; D57-R127 IonicContact OD2-CZ 3.96Å; D57-R127 IonicContact OD2-NH1 3.23Å; D57-R127 PolarHBondContact OD2-NH1 3.4Å; D57-R127 IonicContact OD2-NH2 3.78Å; F58-R127 PolarHBondContact O-NH2 3.22Å; F58-R127 VanDerWaalsContact O-NH2 3.14Å; L60-R127 PolarHBondContact O-NH2 3.11Å; L60-R127 VanDerWaalsContact O-NH2 3.12Å
128V84.7Confident93.3Very high162 Ų16279.7 Ų79.798%0.98239%0.388SS*.  trans-1180175.2-173.50000106F58 S126F58-V128 HydrophobicContact CD2-CG2 4.37Å; F58-V128 HydrophobicContact CE2-CG2 3.87Å; S126-V128 WeakPolarHBondContact CB-O 3.23Å; S126-V128 PolarHBondContact OG-N 3.37Å; S126-V128 PolarHBondContact OG-O 3.09Å

Retrieved 128 of 128 residues in 35.5 ms (Link to these results)