A0A087WR97_MOUSE Loading...

TAR DNA-binding protein 43

AlphaFold DB , UniProt , Accession A0A087WR97, Species MOUSE (Mus musculus, Mouse), Gene Tardbp, Length 243 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
1M50.9Low80.1Confident236 Ų23686 Ų86100%1.16342%0.418SS*.  0116.70-87.2170.6174.800104.6E3M1-E3 PolarHBondContact O-N 3.49Å; M1-E3 VanDerWaalsContact O-N 3.08Å
2S53.3Low79.5Confident89 Ų8991.6 Ų91.662%0.62245%0.451SS*.  trans-63.2112.3178.4-47.50000107.8
3E83.8Confident79.4Confident107 Ų10791.2 Ų91.250%0.545%0.452SS..  trans-80.9163175-154168.5104.100107.9M1 S20M1-E3 PolarHBondContact O-N 3.49Å; M1-E3 VanDerWaalsContact O-N 3.08Å; E3-S20 PolarHBondContact N-OG 3.49Å; E3-S20 WeakPolarHBondContact O-CB 3.36Å; E3-S20 PolarHBondContact O-N 2.79Å; E3-S20 PolarHBondContact O-OG 2.98Å
4Y89.1Confident79.8Confident117 Ų11797.7 Ų97.746%0.45948%0.481SS..EExtended strand (participates in β ladder)trans-132.7153.117761.1-94.8000109.4E17 I18Y4-E17 HydrophobicContact CD2-CB 3.89Å; Y4-E17 HydrophobicContact CD2-CG 3.62Å; Y4-E17 HydrophobicContact CE2-CB 4.49Å; Y4-E17 HydrophobicContact CE2-CG 3.77Å; Y4-E17 WeakPolarHBondContact CE2-OE1 3.45Å; Y4-E17 HydrophobicContact CG-CB 4.4Å; Y4-I18 CarbonylContact C-O 3.47Å; Y4-I18 WeakPolarHBondContact CA-O 3.37Å
5I92.9Very high80.5Confident0 Ų094.5 Ų94.50%047%0.47CS..EExtended strand (participates in β ladder)trans-116.3145.6178.968.3156.5000109.8V7 E17 I18 V26 L41 W68I5-V7 HydrophobicContact CD1-CG2 3.5Å; I5-V7 HydrophobicContact CG1-CG2 3.75Å; I5-E17 CarbonylContact O-C 3.58Å; I5-E17 WeakPolarHBondContact O-CA 3.39Å; I5-I18 HydrophobicContact CG1-CB 3.95Å; I5-I18 PolarHBondContact N-O 3.33Å; I5-I18 PolarHBondContact O-N 3.26Å; I5-V26 HydrophobicContact CD1-CB 4.3Å; I5-V26 HydrophobicContact CD1-CG1 4.02Å; I5-V26 HydrophobicContact CD1-CG2 3.88Å; I5-V26 HydrophobicContact CG1-CG1 4.5Å; I5-V26 HydrophobicContact CG1-CG2 4.06Å; I5-V26 HydrophobicContact CG2-CG2 3.96Å; I5-L41 HydrophobicContact CD1-CD1 3.74Å; I5-W68 HydrophobicContact CB-CE3 4.42Å; I5-W68 HydrophobicContact CD1-CE3 4.36Å; I5-W68 HydrophobicContact CD1-CH2 4.5Å; I5-W68 HydrophobicContact CD1-CZ3 4.16Å; I5-W68 HydrophobicContact CG2-CB 3.7Å; I5-W68 HydrophobicContact CG2-CD2 3.43Å; I5-W68 VanDerWaalsContact CG2-CD2 3.43Å; I5-W68 HydrophobicContact CG2-CE3 3.75Å; I5-W68 HydrophobicContact CG2-CG 3.38Å
6R92.9Very high81.1Confident78 Ų7893.1 Ų93.129%0.29446%0.464SS..EExtended strand (participates in β ladder)trans-95.6115.3179.7-69.2-170.6-61.7175.20.5110P15 E17 N70 Y73R6-P15 HydrophobicContact CB-CB 4.01Å; R6-P15 HydrophobicContact CB-CG 4.41Å; R6-E17 HydrophobicContact CG-CG 4.14Å; R6-N70 PolarHBondContact NH2-O 3.21Å; R6-Y73 PolarHBondContact O-N 3.06Å
7V93Very high81.8Confident0 Ų094 Ų940%047%0.466CS..EExtended strand (participates in β ladder)trans-122.5133.5-173.2-173.70000110.4I5 P15 I16 I18 F35 L41 Y73 V75I5-V7 HydrophobicContact CD1-CG2 3.5Å; I5-V7 HydrophobicContact CG1-CG2 3.75Å; V7-P15 CarbonylContact O-C 3.59Å; V7-P15 WeakPolarHBondContact O-CA 3.46Å; V7-I16 PolarHBondContact N-O 3.45Å; V7-I16 PolarHBondContact O-N 3.14Å; V7-I18 HydrophobicContact CB-CG1 3.92Å; V7-I18 HydrophobicContact CG2-CB 4.24Å; V7-I18 HydrophobicContact CG2-CG1 3.65Å; V7-F35 HydrophobicContact CB-CE2 3.89Å; V7-F35 HydrophobicContact CB-CZ 4.4Å; V7-F35 HydrophobicContact CG1-CD2 4.04Å; V7-F35 HydrophobicContact CG1-CE2 3.54Å; V7-F35 HydrophobicContact CG1-CZ 4.09Å; V7-L41 HydrophobicContact CG1-CD2 3.77Å; V7-L41 HydrophobicContact CG2-CD1 4.28Å; V7-Y73 CarbonylContact C-O 3.58Å; V7-Y73 VanDerWaalsContact CA-O 3.25Å; V7-Y73 WeakPolarHBondContact CA-O 3.2Å; V7-V75 HydrophobicContact CG1-CG1 3.52Å
8T92.3Very high82.4Confident4 Ų488.9 Ų88.93%0.02544%0.441CS..EExtended strand (participates in β ladder)trans-133.5160.3176.8-172.10000111.1D10 D13 V72 Y73 V74 V75T8-D10 WeakPolarHBondContact CG2-O 3.38Å; T8-D10 PolarHBondContact OG1-N 2.74Å; T8-D10 PolarHBondContact OG1-O 2.64Å; T8-D13 PolarHBondContact OG1-O 3.4Å; T8-V72 HydrophobicContact CG2-CG1 3.63Å; T8-Y73 PolarHBondContact N-O 3.1Å; T8-V74 HydrophobicContact CG2-CG2 4.14Å; T8-V74 CarbonylContact O-C 3.56Å; T8-V74 VanDerWaalsContact O-CA 3.27Å; T8-V74 WeakPolarHBondContact O-CA 3.3Å; T8-V75 PolarHBondContact O-N 3.49Å
9E84.8Confident82.9Confident98 Ų9888.2 Ų88.246%0.45844%0.444SS..SBendtrans-81-39.1170.265.2-175.6114.400112.9F35 V74 V75 Y77E9-F35 HydrophobicContact CB-CE1 4.45Å; E9-V74 WeakPolarHBondContact O-CG1 3.24Å; E9-V75 HydrophobicContact CB-CG2 4.01Å; E9-Y77 HydrophobicContact CB-CE2 4.47Å
10D77.5Confident83.3Confident88 Ų8884.3 Ų84.347%0.47143%0.425SS..SBendtrans-132.6150.2-176.9-101.6-74.9000110.7T8 N12 D13T8-D10 WeakPolarHBondContact CG2-O 3.38Å; T8-D10 PolarHBondContact OG1-N 2.74Å; T8-D10 PolarHBondContact OG1-O 2.64Å; D10-N12 PolarHBondContact O-N 3.43Å; D10-D13 PolarHBondContact O-N 3.15Å; D10-D13 VanDerWaalsContact O-N 3.16Å
11E70.2Confident83.7Confident129 Ų12984 Ų8460%0.60342%0.422SS*.THydrogen-bonded Turntrans-64.3-12179.6-68.4-175.1109.100113.1R44 V74E11-R44 IonicContact OE1-NH1 2.85Å; E11-V74 HydrophobicContact CG-CG2 4.32Å
12N72.8Confident85.4Confident153 Ų15380.1 Ų80.182%0.81841%0.406SS*.THydrogen-bonded Turntrans-98.9-9.7-179.7-56.9-70.2000113.6D10D10-N12 PolarHBondContact O-N 3.43Å
13D79.1Confident86.9Confident86 Ų8681.4 Ų81.446%0.4641%0.406SS..SBendtrans-94.3154.7-178.6-77.9-55.2000112.4T8 D10T8-D13 PolarHBondContact OG1-O 3.4Å; D10-D13 PolarHBondContact O-N 3.15Å; D10-D13 VanDerWaalsContact O-N 3.16Å
14E84.9Confident87Confident183 Ų18377.7 Ų77.786%0.85540%0.396SS*.PPolyproline II helixtrans-67.1125.4175.9-68.5-170.916500110.1
15P89.6Confident87.2Confident50 Ų5072.6 Ų72.633%0.32538%0.377SS..PPolyproline II helixtrans-73.1141.1-177.830-34.6000111.5R6 V7 V72R6-P15 HydrophobicContact CB-CB 4.01Å; R6-P15 HydrophobicContact CB-CG 4.41Å; V7-P15 CarbonylContact O-C 3.59Å; V7-P15 WeakPolarHBondContact O-CA 3.46Å; P15-V72 HydrophobicContact CB-CG1 4.17Å
16I90.3Very high87.2Confident72 Ų7272.6 Ų72.637%0.36938%0.377SS..EExtended strand (participates in β ladder)trans-90.5137.5174.2-59.9179.1000109.4V7 I18 F35V7-I16 PolarHBondContact N-O 3.45Å; V7-I16 PolarHBondContact O-N 3.14Å; I16-I18 HydrophobicContact CG2-CD1 3.92Å; I16-F35 HydrophobicContact CB-CZ 4.22Å; I16-F35 HydrophobicContact CD1-CE1 4.35Å; I16-F35 HydrophobicContact CD1-CZ 3.86Å; I16-F35 HydrophobicContact CG1-CZ 4.26Å
17E93.3Very high87.2Confident108 Ų10871.1 Ų71.151%0.50538%0.375SS..EExtended strand (participates in β ladder)trans-82.3118.8174.1-66.5-178.1167.200110.5Y4 I5 R6Y4-E17 HydrophobicContact CD2-CB 3.89Å; Y4-E17 HydrophobicContact CD2-CG 3.62Å; Y4-E17 HydrophobicContact CE2-CB 4.49Å; Y4-E17 HydrophobicContact CE2-CG 3.77Å; Y4-E17 WeakPolarHBondContact CE2-OE1 3.45Å; Y4-E17 HydrophobicContact CG-CB 4.4Å; I5-E17 CarbonylContact O-C 3.58Å; I5-E17 WeakPolarHBondContact O-CA 3.39Å; R6-E17 HydrophobicContact CG-CG 4.14Å
18I91.8Very high87.1Confident3 Ų372.5 Ų72.52%0.01538%0.382CS..EExtended strand (participates in β ladder)trans-107.8126.1178.1-53.3-61.2000108.5Y4 I5 V7 I16 V26 T30 V31 Q34 F35Y4-I18 CarbonylContact C-O 3.47Å; Y4-I18 WeakPolarHBondContact CA-O 3.37Å; I5-I18 HydrophobicContact CG1-CB 3.95Å; I5-I18 PolarHBondContact N-O 3.33Å; I5-I18 PolarHBondContact O-N 3.26Å; V7-I18 HydrophobicContact CB-CG1 3.92Å; V7-I18 HydrophobicContact CG2-CB 4.24Å; V7-I18 HydrophobicContact CG2-CG1 3.65Å; I16-I18 HydrophobicContact CG2-CD1 3.92Å; I18-V26 HydrophobicContact CG2-CG1 4.17Å; I18-T30 HydrophobicContact CG2-CG2 3.63Å; I18-V31 HydrophobicContact CG2-CG2 4.37Å; I18-Q34 HydrophobicContact CD1-CB 4.07Å; I18-Q34 HydrophobicContact CD1-CG 3.54Å; I18-F35 HydrophobicContact CD1-CE2 4.3Å
19P91.9Very high87Confident75 Ų7575.8 Ų75.849%0.48741%0.405SS..EExtended strand (participates in β ladder)trans-67.7144.1-179.128-34.4000111.6T30P19-T30 HydrophobicContact CG-CG2 4.06Å
20S91.4Very high87.3Confident9 Ų972.8 Ų72.86%0.06339%0.394CS..PPolyproline II helixtrans-93.5158.3169.680.10000111.7E3 T25E3-S20 PolarHBondContact N-OG 3.49Å; E3-S20 WeakPolarHBondContact O-CB 3.36Å; E3-S20 PolarHBondContact O-N 2.79Å; E3-S20 PolarHBondContact O-OG 2.98Å; S20-T25 WeakPolarHBondContact CA-O 3.46Å; S20-T25 WeakPolarHBondContact CB-O 3.25Å
21E91.4Very high88.1Confident80 Ų8068.6 Ų68.637%0.37437%0.371SS..PPolyproline II helixtrans-71.9168170.7-60-62.4114.900110.9D23 G24 T25 L27E21-D23 VanDerWaalsContact CB-OD1 3.32Å; E21-D23 WeakPolarHBondContact CB-OD1 3.42Å; E21-D23 PolarHBondContact O-N 2.96Å; E21-G24 PolarHBondContact O-N 2.71Å; E21-T25 PolarHBondContact N-O 2.98Å; E21-L27 HydrophobicContact CG-CD1 4.32Å; E21-L27 HydrophobicContact CG-CD2 4.47Å; E21-L27 HydrophobicContact CG-CG 3.92Å
22D86.2Confident89Confident154 Ų15464.8 Ų64.882%0.82436%0.357SS*.THydrogen-bonded Turntrans-65.9-22.8-179.5-66.9-52.8000113.5G24D22-G24 VanDerWaalsContact C-N 3.25Å
23D85.9Confident89.9Confident115 Ų11561.1 Ų61.162%0.61535%0.348SS*.THydrogen-bonded Turntrans-84.11.1175.570.8-6.9000113.2E21 T25E21-D23 VanDerWaalsContact CB-OD1 3.32Å; E21-D23 WeakPolarHBondContact CB-OD1 3.42Å; E21-D23 PolarHBondContact O-N 2.96Å; D23-T25 VanDerWaalsContact C-N 3.29Å; D23-T25 VanDerWaalsContact CG-OG1 3.31Å; D23-T25 VanDerWaalsContact OD1-CB 3.31Å; D23-T25 WeakPolarHBondContact OD1-CB 3.48Å; D23-T25 WeakPolarHBondContact OD1-CG2 3.28Å; D23-T25 PolarHBondContact OD1-N 3.08Å; D23-T25 PolarHBondContact OD1-OG1 2.74Å; D23-T25 PolarHBondContact OD2-OG1 2.91Å
24G86.2Confident90.4Very high29 Ų2962.5 Ų62.530%0.29935%0.351SS..SBendtrans78.58.3-177.900000113.9E21 D22 W68E21-G24 PolarHBondContact O-N 2.71Å; D22-G24 VanDerWaalsContact C-N 3.25Å; G24-W68 PolarHBondContact O-NE1 2.91Å
25T92.1Very high90.5Very high10 Ų1054.2 Ų54.26%0.06131%0.313CS..  trans-87.7167.6170.669.80000111.3S20 E21 D23 I60 L61S20-T25 WeakPolarHBondContact CA-O 3.46Å; S20-T25 WeakPolarHBondContact CB-O 3.25Å; E21-T25 PolarHBondContact N-O 2.98Å; D23-T25 VanDerWaalsContact C-N 3.29Å; D23-T25 VanDerWaalsContact CG-OG1 3.31Å; D23-T25 VanDerWaalsContact OD1-CB 3.31Å; D23-T25 WeakPolarHBondContact OD1-CB 3.48Å; D23-T25 WeakPolarHBondContact OD1-CG2 3.28Å; D23-T25 PolarHBondContact OD1-N 3.08Å; D23-T25 PolarHBondContact OD1-OG1 2.74Å; D23-T25 PolarHBondContact OD2-OG1 2.91Å; T25-I60 VanDerWaalsContact CB-CG2 3.46Å; T25-I60 HydrophobicContact CG2-CG2 3.8Å; T25-I60 WeakPolarHBondContact OG1-CG2 3.35Å; T25-L61 WeakPolarHBondContact CA-O 3.3Å; T25-L61 WeakPolarHBondContact CB-O 3.43Å
26V93.1Very high90.2Very high0 Ų056.9 Ų56.90%033%0.33CS..EExtended strand (participates in β ladder)trans-126.2129174.91770000108.6I5 I18 V31 L61 W68I5-V26 HydrophobicContact CD1-CB 4.3Å; I5-V26 HydrophobicContact CD1-CG1 4.02Å; I5-V26 HydrophobicContact CD1-CG2 3.88Å; I5-V26 HydrophobicContact CG1-CG1 4.5Å; I5-V26 HydrophobicContact CG1-CG2 4.06Å; I5-V26 HydrophobicContact CG2-CG2 3.96Å; I18-V26 HydrophobicContact CG2-CG1 4.17Å; V26-V31 HydrophobicContact CG1-CG2 3.98Å; V26-L61 HydrophobicContact CB-CB 4.26Å; V26-L61 HydrophobicContact CG1-CD1 4.36Å; V26-L61 PolarHBondContact N-O 2.91Å; V26-L61 WeakPolarHBondContact O-CA 3.46Å; V26-L61 WeakPolarHBondContact O-CB 3.13Å; V26-L61 PolarHBondContact O-N 2.98Å; V26-W68 HydrophobicContact CB-CH2 4.42Å; V26-W68 HydrophobicContact CB-CZ2 4.07Å; V26-W68 HydrophobicContact CG2-CH2 4.24Å; V26-W68 HydrophobicContact CG2-CZ2 3.64Å
27L93.1Very high89.9Confident48 Ų4855.7 Ų55.725%0.25134%0.336SS..EExtended strand (participates in β ladder)trans-75.1133.4177-59.9175.9000110.7E21 S29 T30 V31 I60E21-L27 HydrophobicContact CG-CD1 4.32Å; E21-L27 HydrophobicContact CG-CD2 4.47Å; E21-L27 HydrophobicContact CG-CG 3.92Å; L27-S29 WeakPolarHBondContact CB-OG 3.33Å; L27-S29 PolarHBondContact O-N 3.45Å; L27-T30 WeakPolarHBondContact O-CB 3.37Å; L27-T30 PolarHBondContact O-N 3.39Å; L27-T30 VanDerWaalsContact O-N 3.09Å; L27-V31 PolarHBondContact O-N 3.37Å; L27-I60 HydrophobicContact CD2-CG1 4.01Å
28L91.1Very high89.6Confident29 Ų2950.9 Ų50.915%0.15231%0.314CS..Hα-helixtrans-59.8-32.5173-178.563.9000110.7T30 V31 T32 L56 G59 L61L28-T30 VanDerWaalsContact C-N 3.31Å; L28-T30 PolarHBondContact O-N 3.33Å; L28-V31 HydrophobicContact CD1-CB 4.48Å; L28-V31 PolarHBondContact O-N 3.31Å; L28-T32 HydrophobicContact CD1-CG2 4.3Å; L28-T32 HydrophobicContact CG-CG2 4.16Å; L28-T32 WeakPolarHBondContact O-CG2 3.17Å; L28-T32 PolarHBondContact O-N 3.33Å; L28-T32 PolarHBondContact O-OG1 3.19Å; L28-L56 HydrophobicContact CB-CD1 4.21Å; L28-L56 HydrophobicContact CD2-CD1 4.22Å; L28-L56 HydrophobicContact CD2-CD2 4.08Å; L28-G59 WeakPolarHBondContact CB-O 3.34Å; L28-G59 PolarHBondContact N-O 2.88Å; L28-L61 HydrophobicContact CD1-CD1 4.46Å
29S90.1Very high89.4Confident72 Ų7253.5 Ų53.550%0.50333%0.332SS..Hα-helixtrans-57-44.1174.151.30000112L27 V31 T32 A33L27-S29 WeakPolarHBondContact CB-OG 3.33Å; L27-S29 PolarHBondContact O-N 3.45Å; S29-V31 VanDerWaalsContact C-N 3.35Å; S29-V31 PolarHBondContact O-N 3.28Å; S29-T32 VanDerWaalsContact CA-OG1 3.29Å; S29-T32 WeakPolarHBondContact CA-OG1 3.48Å; S29-T32 PolarHBondContact O-N 3.03Å; S29-T32 PolarHBondContact O-OG1 3.23Å; S29-A33 PolarHBondContact O-N 3.39Å
30T92.4Very high89.4Confident36 Ų3650.3 Ų50.322%0.22131%0.313CS..Hα-helixtrans-63.6-40.3176.8-46.50000111.5I18 P19 L27 L28 A33I18-T30 HydrophobicContact CG2-CG2 3.63Å; P19-T30 HydrophobicContact CG-CG2 4.06Å; L27-T30 WeakPolarHBondContact O-CB 3.37Å; L27-T30 PolarHBondContact O-N 3.39Å; L27-T30 VanDerWaalsContact O-N 3.09Å; L28-T30 VanDerWaalsContact C-N 3.31Å; L28-T30 PolarHBondContact O-N 3.33Å; T30-A33 WeakPolarHBondContact O-CB 3.36Å; T30-A33 PolarHBondContact O-N 2.8Å
31V92.4Very high89.4Confident0 Ų050 Ų500%031%0.311CS..Hα-helixtrans-64.6-46173.2178.90000110.6I18 V26 L27 L28 S29 A33 Q34 F35 A38 L41 L61 V75I18-V31 HydrophobicContact CG2-CG2 4.37Å; V26-V31 HydrophobicContact CG1-CG2 3.98Å; L27-V31 PolarHBondContact O-N 3.37Å; L28-V31 HydrophobicContact CD1-CB 4.48Å; L28-V31 PolarHBondContact O-N 3.31Å; S29-V31 VanDerWaalsContact C-N 3.35Å; S29-V31 PolarHBondContact O-N 3.28Å; V31-A33 PolarHBondContact O-N 3.15Å; V31-Q34 PolarHBondContact O-N 3.42Å; V31-F35 HydrophobicContact CG1-CD2 4.13Å; V31-F35 WeakPolarHBondContact O-CB 3.16Å; V31-F35 WeakPolarHBondContact O-CD2 3.47Å; V31-F35 PolarHBondContact O-N 2.99Å; V31-A38 HydrophobicContact CG1-CB 4.13Å; V31-L41 HydrophobicContact CG1-CD2 4.04Å; V31-L41 HydrophobicContact CG2-CD1 4.31Å; V31-L61 HydrophobicContact CG2-CD1 3.79Å; V31-V75 HydrophobicContact CG1-CG1 3.85Å
32T90.7Very high89.5Confident48 Ų4851.2 Ų51.229%0.29431%0.312SS..Hα-helixtrans-68.3-20.2-179.457.70000114.1L28 S29 Q34 F35 P36 A38L28-T32 HydrophobicContact CD1-CG2 4.3Å; L28-T32 HydrophobicContact CG-CG2 4.16Å; L28-T32 WeakPolarHBondContact O-CG2 3.17Å; L28-T32 PolarHBondContact O-N 3.33Å; L28-T32 PolarHBondContact O-OG1 3.19Å; S29-T32 VanDerWaalsContact CA-OG1 3.29Å; S29-T32 WeakPolarHBondContact CA-OG1 3.48Å; S29-T32 PolarHBondContact O-N 3.03Å; S29-T32 PolarHBondContact O-OG1 3.23Å; T32-Q34 VanDerWaalsContact C-N 3.31Å; T32-F35 WeakPolarHBondContact CA-O 3.49Å; T32-F35 CarbonylContact O-C 3.57Å; T32-P36 WeakPolarHBondContact O-CA 3.36Å; T32-A38 HydrophobicContact CG2-CB 4.28Å; T32-A38 VanDerWaalsContact CG2-O 3.29Å; T32-A38 WeakPolarHBondContact CG2-O 3.4Å
33A90.5Very high89.7Confident76 Ų7644.3 Ų44.363%0.62827%0.274SS*.Hα-helixtrans-66.6-34.1174.700000112S29 T30 V31S29-A33 PolarHBondContact O-N 3.39Å; T30-A33 WeakPolarHBondContact O-CB 3.36Å; T30-A33 PolarHBondContact O-N 2.8Å; V31-A33 PolarHBondContact O-N 3.15Å
34Q89Confident89.7Confident115 Ų11544.5 Ų44.554%0.53727%0.266SS..Hα-helixtrans-93.4-35.2174-56.7-57.1-16.700112.2I18 V31 T32 P36I18-Q34 HydrophobicContact CD1-CB 4.07Å; I18-Q34 HydrophobicContact CD1-CG 3.54Å; V31-Q34 PolarHBondContact O-N 3.42Å; T32-Q34 VanDerWaalsContact C-N 3.31Å; Q34-P36 VanDerWaalsContact O-CD 3.31Å; Q34-P36 WeakPolarHBondContact O-CD 3.25Å
35F88.1Confident89.7Confident10 Ų1044.7 Ų44.74%0.04426%0.261CS..SBendtrans-119.279.4-175.7-58.3-76.8000110.3V7 E9 I16 I18 V31 T32 G37 A38 V75 Y77V7-F35 HydrophobicContact CB-CE2 3.89Å; V7-F35 HydrophobicContact CB-CZ 4.4Å; V7-F35 HydrophobicContact CG1-CD2 4.04Å; V7-F35 HydrophobicContact CG1-CE2 3.54Å; V7-F35 HydrophobicContact CG1-CZ 4.09Å; E9-F35 HydrophobicContact CB-CE1 4.45Å; I16-F35 HydrophobicContact CB-CZ 4.22Å; I16-F35 HydrophobicContact CD1-CE1 4.35Å; I16-F35 HydrophobicContact CD1-CZ 3.86Å; I16-F35 HydrophobicContact CG1-CZ 4.26Å; I18-F35 HydrophobicContact CD1-CE2 4.3Å; V31-F35 HydrophobicContact CG1-CD2 4.13Å; V31-F35 WeakPolarHBondContact O-CB 3.16Å; V31-F35 WeakPolarHBondContact O-CD2 3.47Å; V31-F35 PolarHBondContact O-N 2.99Å; T32-F35 WeakPolarHBondContact CA-O 3.49Å; T32-F35 CarbonylContact O-C 3.57Å; F35-G37 PolarHBondContact O-N 2.85Å; F35-A38 HydrophobicContact CB-CB 4.04Å; F35-A38 VanDerWaalsContact O-CB 3.29Å; F35-A38 WeakPolarHBondContact O-CB 3.14Å; F35-A38 PolarHBondContact O-N 3.49Å; F35-V75 HydrophobicContact CB-CG1 3.96Å; F35-V75 HydrophobicContact CB-CG2 4.47Å; F35-V75 HydrophobicContact CD1-CG1 4.31Å; F35-V75 HydrophobicContact CD1-CG2 4.1Å; F35-V75 HydrophobicContact CD2-CG1 3.83Å; F35-V75 HydrophobicContact CE2-CG1 4.41Å; F35-V75 HydrophobicContact CG-CG1 3.76Å; F35-V75 HydrophobicContact CG-CG2 4.29Å; F35-Y77 HydrophobicContact CB-CE1 4.49Å
36P84Confident89.2Confident105 Ų10548.1 Ų48.168%0.68228%0.283SS*.THydrogen-bonded Turntrans-59.4127.5-17423.5-33.4000111.4T32 Q34 Y77T32-P36 WeakPolarHBondContact O-CA 3.36Å; Q34-P36 VanDerWaalsContact O-CD 3.31Å; Q34-P36 WeakPolarHBondContact O-CD 3.25Å; P36-Y77 WeakPolarHBondContact O-CE1 3.49Å
37G82.9Confident88.6Confident48 Ų4854.4 Ų54.450%0.49532%0.321SS..THydrogen-bonded Turntrans87.20.5-178.500000114.9F35 C39 P78F35-G37 PolarHBondContact O-N 2.85Å; G37-C39 PolarHBondContact O-N 3.41Å; G37-P78 WeakPolarHBondContact O-CD 3.14Å
38A87.7Confident88.1Confident6 Ų655 Ų555%0.0533%0.329CS..  trans-58.1135172.900000111.5V31 T32 F35 V75 Y77V31-A38 HydrophobicContact CG1-CB 4.13Å; T32-A38 HydrophobicContact CG2-CB 4.28Å; T32-A38 VanDerWaalsContact CG2-O 3.29Å; T32-A38 WeakPolarHBondContact CG2-O 3.4Å; F35-A38 HydrophobicContact CB-CB 4.04Å; F35-A38 VanDerWaalsContact O-CB 3.29Å; F35-A38 WeakPolarHBondContact O-CB 3.14Å; F35-A38 PolarHBondContact O-N 3.49Å; A38-V75 HydrophobicContact CB-CB 4.24Å; A38-V75 HydrophobicContact CB-CG1 4.15Å; A38-Y77 HydrophobicContact CB-CE1 4.26Å
39C87.5Confident87.7Confident59 Ų5958.6 Ų58.640%0.39935%0.345SS..  trans-112.2-1.8179.267.70000113.7G37 L56 N76 P78G37-C39 PolarHBondContact O-N 3.41Å; C39-L56 VanDerWaalsContact O-CD2 3.3Å; C39-L56 WeakPolarHBondContact O-CD2 3.46Å; C39-N76 PolarHBondContact N-O 3.19Å; C39-N76 PolarHBondContact SG-O 2.9Å; C39-P78 HydrophobicContact CB-CG 4.46Å
40G91.2Very high87.2Confident8 Ų858.7 Ų58.78%0.08235%0.345CS..EExtended strand (participates in β ladder)trans168-176.4175.200000112.4N76G40-N76 PolarHBondContact O-N 3.36Å
41L92.5Very high86.9Confident3 Ų361 Ų612%0.01636%0.355CS..EExtended strand (participates in β ladder)trans-125.1153.5-179.3-62.6-177.1000111.5I5 V7 V31 V54 L61 V75I5-L41 HydrophobicContact CD1-CD1 3.74Å; V7-L41 HydrophobicContact CG1-CD2 3.77Å; V7-L41 HydrophobicContact CG2-CD1 4.28Å; V31-L41 HydrophobicContact CG1-CD2 4.04Å; V31-L41 HydrophobicContact CG2-CD1 4.31Å; L41-V54 HydrophobicContact CB-CB 3.96Å; L41-V54 HydrophobicContact CB-CG2 3.7Å; L41-V54 PolarHBondContact O-N 3.28Å; L41-L61 HydrophobicContact CD1-CD1 3.73Å; L41-L61 HydrophobicContact CG-CD1 3.96Å; L41-L61 HydrophobicContact CG-CD2 4.43Å; L41-V75 HydrophobicContact CD2-CB 4.29Å; L41-V75 HydrophobicContact CD2-CG1 3.56Å
42R92.9Very high86.6Confident104 Ų10466.3 Ų66.339%0.39238%0.375SS..EExtended strand (participates in β ladder)trans-138.7157.5168.860.1179.3-179.6-175.11.7109.7M51 R52 Y73 V74 N76R42-M51 HydrophobicContact CB-CE 4.32Å; R42-M51 HydrophobicContact CG-CE 3.68Å; R42-R52 CarbonylContact C-O 3.59Å; R42-R52 VanDerWaalsContact CA-O 3.23Å; R42-R52 WeakPolarHBondContact CA-O 3.31Å; R42-R52 WeakPolarHBondContact CB-O 3.48Å; R42-Y73 CarbonylContact O-C 3.59Å; R42-Y73 WeakPolarHBondContact O-CA 3.47Å; R42-V74 HydrophobicContact CG-CB 4.1Å; R42-V74 WeakPolarHBondContact CG-O 3.1Å; R42-V74 PolarHBondContact N-O 3.3Å; R42-V74 PolarHBondContact O-N 3.48Å; R42-N76 WeakPolarHBondContact CD-OD1 3.45Å; R42-N76 WeakPolarHBondContact CG-OD1 3.33Å; R42-N76 PolarHBondContact NE-OD1 3.48Å
43Y90.6Very high86.6Confident9 Ų966.6 Ų66.64%0.03539%0.387CS..EExtended strand (participates in β ladder)trans-140.5159.5177.269.8-79.6000110.5M51 R52 V54 P64 L71 Y73Y43-M51 CarbonylContact O-C 3.44Å; Y43-M51 WeakPolarHBondContact O-CA 3.16Å; Y43-R52 HydrophobicContact CD1-CB 4.21Å; Y43-R52 WeakPolarHBondContact CD1-O 3.44Å; Y43-R52 HydrophobicContact CE1-CB 3.76Å; Y43-R52 HydrophobicContact CE1-CG 3.74Å; Y43-R52 HydrophobicContact CE2-CB 4.38Å; Y43-R52 PolarHBondContact N-O 3.32Å; Y43-R52 PolarHBondContact O-N 3.06Å; Y43-R52 VanDerWaalsContact OH-CD 3.27Å; Y43-R52 WeakPolarHBondContact OH-CD 3.41Å; Y43-V54 HydrophobicContact CD1-CG2 4.06Å; Y43-P64 HydrophobicContact CE1-CG 3.73Å; Y43-P64 WeakPolarHBondContact OH-CB 3.43Å; Y43-L71 HydrophobicContact CD2-CD1 3.67Å; Y43-L71 HydrophobicContact CE2-CD1 3.76Å; Y43-Y73 HydrophobicContact CD1-CD1 4.2Å; Y43-Y73 AromaticContact CD1-CE1 3.68Å; Y43-Y73 HydrophobicContact CD1-CE1 3.68Å; Y43-Y73 HydrophobicContact CE1-CE1 4.47Å; Y43-Y73 HydrophobicContact CG-CD1 4.22Å; Y43-Y73 AromaticContact CG-CE1 3.78Å; Y43-Y73 HydrophobicContact CG-CE1 3.78Å
44R86.4Confident86.7Confident119 Ų11963.8 Ų63.845%0.44936%0.362SS..EExtended strand (participates in β ladder)trans-88.2122.8174.5-167.8168.5-178.2170.3-6.8109.7E11 P46 Q49 M51E11-R44 IonicContact OE1-NH1 2.85Å; R44-P46 WeakPolarHBondContact O-CD 3.39Å; R44-Q49 VanDerWaalsContact CZ-OE1 3.26Å; R44-M51 HydrophobicContact CB-SD 3.95Å; R44-M51 HydrophobicContact CG-SD 4.3Å
45N85.5Confident86.9Confident34 Ų3467.1 Ų67.118%0.18237%0.369CS..  trans-69.9121.4175.4-178.35.5000109.6V47 S48 Q49 C50N45-V47 PolarHBondContact O-N 3.27Å; N45-V47 PolarHBondContact OD1-N 3.48Å; N45-S48 WeakPolarHBondContact CB-OG 3.48Å; N45-S48 PolarHBondContact ND2-OG 3.49Å; N45-Q49 VanDerWaalsContact O-CA 3.22Å; N45-Q49 WeakPolarHBondContact O-CA 3.38Å; N45-Q49 PolarHBondContact O-N 2.94Å; N45-C50 PolarHBondContact N-O 3.32Å
46P81.2Confident87.1Confident81 Ų8169.9 Ų69.953%0.52639%0.385SS..THydrogen-bonded Turntrans-61.7-31.3-17823.4-34.3000112.9R44 Q49 L71R44-P46 WeakPolarHBondContact O-CD 3.39Å; P46-Q49 PolarHBondContact O-NE2 3Å; P46-L71 HydrophobicContact CG-CD2 4.3Å
47V81.6Confident87.4Confident133 Ų13368.2 Ų68.281%0.80637%0.372SS*.THydrogen-bonded Turntrans-79.4-55.9-178.1-177.10000111.4N45N45-V47 PolarHBondContact O-N 3.27Å; N45-V47 PolarHBondContact OD1-N 3.48Å
48S82.9Confident87.8Confident60 Ų6075.1 Ų75.142%0.4239%0.391SS..THydrogen-bonded Turntrans-86.6-10.7-174.275.10000113.9N45 C50N45-S48 WeakPolarHBondContact CB-OG 3.48Å; N45-S48 PolarHBondContact ND2-OG 3.49Å; S48-C50 PolarHBondContact O-N 2.85Å; S48-C50 PolarHBondContact O-SG 3.48Å; S48-C50 VanDerWaalsContact O-SG 3.34Å; S48-C50 PolarHBondContact OG-N 2.95Å
49Q82.2Confident87.7Confident104 Ų10476.1 Ų76.149%0.48640%0.402SS..  trans58.59.6-173.4-63.7-68.1-52.800114.6R44 N45 P46R44-Q49 VanDerWaalsContact CZ-OE1 3.26Å; N45-Q49 VanDerWaalsContact O-CA 3.22Å; N45-Q49 WeakPolarHBondContact O-CA 3.38Å; N45-Q49 PolarHBondContact O-N 2.94Å; P46-Q49 PolarHBondContact O-NE2 3Å
50C79.4Confident87.9Confident74 Ų7475.9 Ų75.950%0.540%0.397SS..  trans-86.8149.1176.9-53.70000111N45 S48 R52N45-C50 PolarHBondContact N-O 3.32Å; S48-C50 PolarHBondContact O-N 2.85Å; S48-C50 PolarHBondContact O-SG 3.48Å; S48-C50 VanDerWaalsContact O-SG 3.34Å; S48-C50 PolarHBondContact OG-N 2.95Å; C50-R52 PolarHBondContact O-N 3.19Å
51M85.9Confident88Confident86 Ų8675.5 Ų75.542%0.42439%0.393SS..EExtended strand (participates in β ladder)trans-70.4126.5166.6-63.6-57.5-73.600109.6R42 Y43 R44R42-M51 HydrophobicContact CB-CE 4.32Å; R42-M51 HydrophobicContact CG-CE 3.68Å; Y43-M51 CarbonylContact O-C 3.44Å; Y43-M51 WeakPolarHBondContact O-CA 3.16Å; R44-M51 HydrophobicContact CB-SD 3.95Å; R44-M51 HydrophobicContact CG-SD 4.3Å
52R86.8Confident88Confident111 Ų11178.6 Ų78.642%0.41941%0.407SS..EExtended strand (participates in β ladder)trans-117.2133.2178.2-173.9160.3175.4-169.41.7109R42 Y43 C50 D65R42-R52 CarbonylContact C-O 3.59Å; R42-R52 VanDerWaalsContact CA-O 3.23Å; R42-R52 WeakPolarHBondContact CA-O 3.31Å; R42-R52 WeakPolarHBondContact CB-O 3.48Å; Y43-R52 HydrophobicContact CD1-CB 4.21Å; Y43-R52 WeakPolarHBondContact CD1-O 3.44Å; Y43-R52 HydrophobicContact CE1-CB 3.76Å; Y43-R52 HydrophobicContact CE1-CG 3.74Å; Y43-R52 HydrophobicContact CE2-CB 4.38Å; Y43-R52 PolarHBondContact N-O 3.32Å; Y43-R52 PolarHBondContact O-N 3.06Å; Y43-R52 VanDerWaalsContact OH-CD 3.27Å; Y43-R52 WeakPolarHBondContact OH-CD 3.41Å; C50-R52 PolarHBondContact O-N 3.19Å; R52-D65 IonicContact NH2-OD2 3.99Å
53G89.8Confident87.8Confident54 Ų5475.5 Ų75.556%0.55740%0.404SS*.EExtended strand (participates in β ladder)trans-75.5146.6175.500000111.3
54V93.1Very high87.7Confident16 Ų1676 Ų7610%0.09741%0.408CS..PPolyproline II helixtrans-83137.7167.1-179.50000108.3L41 Y43 L56 L61 H62 W68 Y73L41-V54 HydrophobicContact CB-CB 3.96Å; L41-V54 HydrophobicContact CB-CG2 3.7Å; L41-V54 PolarHBondContact O-N 3.28Å; Y43-V54 HydrophobicContact CD1-CG2 4.06Å; V54-L56 PolarHBondContact O-N 3.39Å; V54-L61 HydrophobicContact CB-CD2 4.4Å; V54-L61 HydrophobicContact CG1-CB 4.1Å; V54-L61 HydrophobicContact CG1-CD2 3.96Å; V54-H62 WeakPolarHBondContact CG1-O 3.23Å; V54-W68 HydrophobicContact CG1-CH2 3.62Å; V54-W68 HydrophobicContact CG1-CZ3 3.83Å; V54-W68 HydrophobicContact CG2-CZ3 4.24Å; V54-Y73 HydrophobicContact CG2-CD1 3.56Å; V54-Y73 HydrophobicContact CG2-CE1 3.66Å
55R92.4Very high87.4Confident185 Ų18577.9 Ų77.970%0.69843%0.427SS*.EExtended strand (participates in β ladder)trans-69.5127.9178.7170.9178.8-85.9-175.7-4.7108.9V57 L61 H62R55-V57 HydrophobicContact CG-CG2 3.97Å; R55-L61 CarbonylContact O-C 3.58Å; R55-L61 WeakPolarHBondContact O-CA 3.2Å; R55-H62 HydrophobicContact CB-CB 4.24Å; R55-H62 HydrophobicContact CG-CB 4.31Å; R55-H62 PolarHBondContact O-N 2.95Å
56L91.8Very high87.3Confident69 Ų6981 Ų8136%0.36146%0.458SS..EExtended strand (participates in β ladder)trans-118123.9175176.966.3000108.9L28 C39 V54 I60 L61L28-L56 HydrophobicContact CB-CD1 4.21Å; L28-L56 HydrophobicContact CD2-CD1 4.22Å; L28-L56 HydrophobicContact CD2-CD2 4.08Å; C39-L56 VanDerWaalsContact O-CD2 3.3Å; C39-L56 WeakPolarHBondContact O-CD2 3.46Å; V54-L56 PolarHBondContact O-N 3.39Å; L56-I60 WeakPolarHBondContact CA-O 3.49Å; L56-L61 HydrophobicContact CB-CD2 4.04Å; L56-L61 HydrophobicContact CD1-CD2 3.8Å; L56-L61 HydrophobicContact CD1-CG 3.98Å; L56-L61 HydrophobicContact CG-CD2 4.45Å
57V91.1Very high87.6Confident70 Ų7078.6 Ų78.642%0.42445%0.447SS..EExtended strand (participates in β ladder)trans-133.5120176.2-178.20000107.7R55 G59 I60R55-V57 HydrophobicContact CG-CG2 3.97Å; V57-G59 PolarHBondContact O-N 2.64Å; V57-G59 VanDerWaalsContact O-N 3.08Å; V57-I60 PolarHBondContact N-O 2.85Å; V57-I60 WeakPolarHBondContact O-CA 3.24Å; V57-I60 WeakPolarHBondContact O-CB 3.5Å; V57-I60 PolarHBondContact O-N 3.46Å
58E90.9Very high87.9Confident192 Ų19272.4 Ų72.490%0.89741%0.409SS*.THydrogen-bonded Turntrans51.935.1176.9-59.5-171147.200115.1I60E58-I60 VanDerWaalsContact C-N 3.31Å
59G86.9Confident88.1Confident27 Ų2771.5 Ų71.528%0.27841%0.41SS..THydrogen-bonded Turntrans84.33.4-178.400000114.3L28 V57L28-G59 WeakPolarHBondContact CB-O 3.34Å; L28-G59 PolarHBondContact N-O 2.88Å; V57-G59 PolarHBondContact O-N 2.64Å; V57-G59 VanDerWaalsContact O-N 3.08Å
60I91.4Very high88.3Confident55 Ų5573.1 Ų73.128%0.28242%0.422SS..EExtended strand (participates in β ladder)trans-106.2122.3178.2-53.3176000109.1T25 L27 L56 V57 E58T25-I60 VanDerWaalsContact CB-CG2 3.46Å; T25-I60 HydrophobicContact CG2-CG2 3.8Å; T25-I60 WeakPolarHBondContact OG1-CG2 3.35Å; L27-I60 HydrophobicContact CD2-CG1 4.01Å; L56-I60 WeakPolarHBondContact CA-O 3.49Å; V57-I60 PolarHBondContact N-O 2.85Å; V57-I60 WeakPolarHBondContact O-CA 3.24Å; V57-I60 WeakPolarHBondContact O-CB 3.5Å; V57-I60 PolarHBondContact O-N 3.46Å; E58-I60 VanDerWaalsContact C-N 3.31Å
61L93.3Very high88.6Confident0 Ų071.8 Ų71.80%041%0.409CS..EExtended strand (participates in β ladder)trans-88.7119.5175.4-63.8157.1000108.9T25 V26 L28 V31 L41 V54 R55 L56 W68T25-L61 WeakPolarHBondContact CA-O 3.3Å; T25-L61 WeakPolarHBondContact CB-O 3.43Å; V26-L61 HydrophobicContact CB-CB 4.26Å; V26-L61 HydrophobicContact CG1-CD1 4.36Å; V26-L61 PolarHBondContact N-O 2.91Å; V26-L61 WeakPolarHBondContact O-CA 3.46Å; V26-L61 WeakPolarHBondContact O-CB 3.13Å; V26-L61 PolarHBondContact O-N 2.98Å; L28-L61 HydrophobicContact CD1-CD1 4.46Å; V31-L61 HydrophobicContact CG2-CD1 3.79Å; L41-L61 HydrophobicContact CD1-CD1 3.73Å; L41-L61 HydrophobicContact CG-CD1 3.96Å; L41-L61 HydrophobicContact CG-CD2 4.43Å; V54-L61 HydrophobicContact CB-CD2 4.4Å; V54-L61 HydrophobicContact CG1-CB 4.1Å; V54-L61 HydrophobicContact CG1-CD2 3.96Å; R55-L61 CarbonylContact O-C 3.58Å; R55-L61 WeakPolarHBondContact O-CA 3.2Å; L56-L61 HydrophobicContact CB-CD2 4.04Å; L56-L61 HydrophobicContact CD1-CD2 3.8Å; L56-L61 HydrophobicContact CD1-CG 3.98Å; L56-L61 HydrophobicContact CG-CD2 4.45Å; L61-W68 HydrophobicContact CB-CH2 4.01Å; L61-W68 HydrophobicContact CB-CZ2 4.49Å
62H92.3Very high88.8Confident67 Ų6770.5 Ų70.531%0.3141%0.406SS..EExtended strand (participates in β ladder)trans-93.8134.8179.1-69.5-90.5000110.9V54 R55V54-H62 WeakPolarHBondContact CG1-O 3.23Å; R55-H62 HydrophobicContact CB-CB 4.24Å; R55-H62 HydrophobicContact CG-CB 4.31Å; R55-H62 PolarHBondContact O-N 2.95Å
63A89.5Confident89.1Confident39 Ų3965.2 Ų65.232%0.32239%0.386SS..PPolyproline II helixtrans-57146.5174.300000111.3W68A63-W68 HydrophobicContact CB-CD2 4.03Å; A63-W68 HydrophobicContact CB-CG 4.14Å; A63-W68 HydrophobicContact CB-CZ2 4.13Å
64P87.1Confident89.1Confident21 Ų2163.1 Ų63.114%0.13636%0.363CS..PPolyproline II helixtrans-58.4164166-21.633.1000112.3Y43 A66 G67Y43-P64 HydrophobicContact CE1-CG 3.73Å; Y43-P64 WeakPolarHBondContact OH-CB 3.43Å; P64-A66 PolarHBondContact O-N 3.2Å; P64-G67 WeakPolarHBondContact O-CA 3.46Å; P64-G67 PolarHBondContact O-N 3.02Å
65D81.3Confident89.1Confident158 Ų15862.6 Ų62.685%0.84536%0.359SS*.THydrogen-bonded Turntrans-57.3-22.5179.6-48.9-56.7000113.7R52R52-D65 IonicContact NH2-OD2 3.99Å
66A82.3Confident88.8Confident100 Ų10056 Ų5683%0.82634%0.338SS*.THydrogen-bonded Turntrans-92.45.8177.300000113.8P64P64-A66 PolarHBondContact O-N 3.2Å
67G87.3Confident88.5Confident29 Ų2957.2 Ų57.230%0.29934%0.339SS..  trans78.5180-170.400000113.2P64P64-G67 WeakPolarHBondContact O-CA 3.46Å; P64-G67 PolarHBondContact O-N 3.02Å
68W88.8Confident87.9Confident3 Ų356.9 Ų56.91%0.01134%0.338CS..SBendtrans-70.3-42.9177.9-66.5110000112I5 G24 V26 V54 L61 A63 Y73I5-W68 HydrophobicContact CB-CE3 4.42Å; I5-W68 HydrophobicContact CD1-CE3 4.36Å; I5-W68 HydrophobicContact CD1-CH2 4.5Å; I5-W68 HydrophobicContact CD1-CZ3 4.16Å; I5-W68 HydrophobicContact CG2-CB 3.7Å; I5-W68 HydrophobicContact CG2-CD2 3.43Å; I5-W68 VanDerWaalsContact CG2-CD2 3.43Å; I5-W68 HydrophobicContact CG2-CE3 3.75Å; I5-W68 HydrophobicContact CG2-CG 3.38Å; G24-W68 PolarHBondContact O-NE1 2.91Å; V26-W68 HydrophobicContact CB-CH2 4.42Å; V26-W68 HydrophobicContact CB-CZ2 4.07Å; V26-W68 HydrophobicContact CG2-CH2 4.24Å; V26-W68 HydrophobicContact CG2-CZ2 3.64Å; V54-W68 HydrophobicContact CG1-CH2 3.62Å; V54-W68 HydrophobicContact CG1-CZ3 3.83Å; V54-W68 HydrophobicContact CG2-CZ3 4.24Å; L61-W68 HydrophobicContact CB-CH2 4.01Å; L61-W68 HydrophobicContact CB-CZ2 4.49Å; A63-W68 HydrophobicContact CB-CD2 4.03Å; A63-W68 HydrophobicContact CB-CG 4.14Å; A63-W68 HydrophobicContact CB-CZ2 4.13Å; W68-Y73 WeakPolarHBondContact CA-OH 3.39Å; W68-Y73 HydrophobicContact CE3-CD1 4.39Å; W68-Y73 HydrophobicContact CE3-CD2 4.46Å; W68-Y73 AromaticContact CE3-CE1 3.73Å; W68-Y73 HydrophobicContact CE3-CE1 3.73Å; W68-Y73 AromaticContact CE3-CE2 3.81Å; W68-Y73 HydrophobicContact CE3-CE2 3.81Å; W68-Y73 AromaticContact CE3-CZ 3.42Å; W68-Y73 VanDerWaalsContact CE3-CZ 3.42Å; W68-Y73 HydrophobicContact CZ3-CD1 4.15Å; W68-Y73 AromaticContact CZ3-CE1 3.75Å; W68-Y73 HydrophobicContact CZ3-CE1 3.75Å; W68-Y73 HydrophobicContact CZ3-CE2 4.48Å; W68-Y73 AromaticContact CZ3-CZ 3.97Å; W68-Y73 PolarHBondContact O-OH 3.22Å
69G86Confident86.9Confident42 Ų4257 Ų5743%0.43334%0.335SS..THydrogen-bonded Turntrans56.3-166.2179.800000113.5L71G69-L71 PolarHBondContact O-N 3.49Å; G69-L71 VanDerWaalsContact O-N 3.08Å
70N86.3Confident84.9Confident137 Ų13762.6 Ų62.673%0.73336%0.359SS*.THydrogen-bonded Turntrans-85.237.8176.9-69.2-25.7000111.9R6R6-N70 PolarHBondContact NH2-O 3.21Å
71L87.6Confident82.5Confident46 Ų4665.9 Ų65.924%0.24138%0.377CS..PPolyproline II helixtrans-86.6154.2177.1-62.3173000110.4Y43 P46 G69 Y73Y43-L71 HydrophobicContact CD2-CD1 3.67Å; Y43-L71 HydrophobicContact CE2-CD1 3.76Å; P46-L71 HydrophobicContact CG-CD2 4.3Å; G69-L71 PolarHBondContact O-N 3.49Å; G69-L71 VanDerWaalsContact O-N 3.08Å; L71-Y73 HydrophobicContact CB-CE2 3.87Å
72V89.3Confident79.8Confident60 Ų6075.2 Ų75.236%0.36442%0.418SS..EExtended strand (participates in β ladder)trans-99124.9172.1-1790000108T8 P15T8-V72 HydrophobicContact CG2-CG1 3.63Å; P15-V72 HydrophobicContact CB-CG1 4.17Å
73Y92.2Very high77.5Confident0 Ų080.7 Ų80.70%044%0.436CS..EExtended strand (participates in β ladder)trans-100.7134.9179.3-65.2-92.4000109.1R6 V7 T8 R42 Y43 V54 W68 L71R6-Y73 PolarHBondContact O-N 3.06Å; V7-Y73 CarbonylContact C-O 3.58Å; V7-Y73 VanDerWaalsContact CA-O 3.25Å; V7-Y73 WeakPolarHBondContact CA-O 3.2Å; T8-Y73 PolarHBondContact N-O 3.1Å; R42-Y73 CarbonylContact O-C 3.59Å; R42-Y73 WeakPolarHBondContact O-CA 3.47Å; Y43-Y73 HydrophobicContact CD1-CD1 4.2Å; Y43-Y73 AromaticContact CD1-CE1 3.68Å; Y43-Y73 HydrophobicContact CD1-CE1 3.68Å; Y43-Y73 HydrophobicContact CE1-CE1 4.47Å; Y43-Y73 HydrophobicContact CG-CD1 4.22Å; Y43-Y73 AromaticContact CG-CE1 3.78Å; Y43-Y73 HydrophobicContact CG-CE1 3.78Å; V54-Y73 HydrophobicContact CG2-CD1 3.56Å; V54-Y73 HydrophobicContact CG2-CE1 3.66Å; W68-Y73 WeakPolarHBondContact CA-OH 3.39Å; W68-Y73 HydrophobicContact CE3-CD1 4.39Å; W68-Y73 HydrophobicContact CE3-CD2 4.46Å; W68-Y73 AromaticContact CE3-CE1 3.73Å; W68-Y73 HydrophobicContact CE3-CE1 3.73Å; W68-Y73 AromaticContact CE3-CE2 3.81Å; W68-Y73 HydrophobicContact CE3-CE2 3.81Å; W68-Y73 AromaticContact CE3-CZ 3.42Å; W68-Y73 VanDerWaalsContact CE3-CZ 3.42Å; W68-Y73 HydrophobicContact CZ3-CD1 4.15Å; W68-Y73 AromaticContact CZ3-CE1 3.75Å; W68-Y73 HydrophobicContact CZ3-CE1 3.75Å; W68-Y73 HydrophobicContact CZ3-CE2 4.48Å; W68-Y73 AromaticContact CZ3-CZ 3.97Å; W68-Y73 PolarHBondContact O-OH 3.22Å; L71-Y73 HydrophobicContact CB-CE2 3.87Å
74V91Very high75Confident9 Ų988.3 Ų88.36%0.05546%0.462CS..EExtended strand (participates in β ladder)trans-104.3128.8178.6-175.90000108.6T8 E9 E11 R42T8-V74 HydrophobicContact CG2-CG2 4.14Å; T8-V74 CarbonylContact O-C 3.56Å; T8-V74 VanDerWaalsContact O-CA 3.27Å; T8-V74 WeakPolarHBondContact O-CA 3.3Å; E9-V74 WeakPolarHBondContact O-CG1 3.24Å; E11-V74 HydrophobicContact CG-CG2 4.32Å; R42-V74 HydrophobicContact CG-CB 4.1Å; R42-V74 WeakPolarHBondContact CG-O 3.1Å; R42-V74 PolarHBondContact N-O 3.3Å; R42-V74 PolarHBondContact O-N 3.48Å
75V91.8Very high72.6Confident5 Ų596 Ų963%0.0350%0.498CS..EExtended strand (participates in β ladder)trans-67140.3174.9-720000111.2V7 T8 E9 V31 F35 A38 L41 Y77V7-V75 HydrophobicContact CG1-CG1 3.52Å; T8-V75 PolarHBondContact O-N 3.49Å; E9-V75 HydrophobicContact CB-CG2 4.01Å; V31-V75 HydrophobicContact CG1-CG1 3.85Å; F35-V75 HydrophobicContact CB-CG1 3.96Å; F35-V75 HydrophobicContact CB-CG2 4.47Å; F35-V75 HydrophobicContact CD1-CG1 4.31Å; F35-V75 HydrophobicContact CD1-CG2 4.1Å; F35-V75 HydrophobicContact CD2-CG1 3.83Å; F35-V75 HydrophobicContact CE2-CG1 4.41Å; F35-V75 HydrophobicContact CG-CG1 3.76Å; F35-V75 HydrophobicContact CG-CG2 4.29Å; A38-V75 HydrophobicContact CB-CB 4.24Å; A38-V75 HydrophobicContact CB-CG1 4.15Å; L41-V75 HydrophobicContact CD2-CB 4.29Å; L41-V75 HydrophobicContact CD2-CG1 3.56Å; V75-Y77 HydrophobicContact CB-CE2 4.43Å; V75-Y77 HydrophobicContact CG2-CD2 4.32Å; V75-Y77 HydrophobicContact CG2-CE2 3.5Å
76N87.3Confident70.5Confident48 Ų4895.3 Ų95.326%0.25749%0.494SS..EExtended strand (participates in β ladder)trans-101.6121.2167.9-64.7-45000107.6C39 G40 R42C39-N76 PolarHBondContact N-O 3.19Å; C39-N76 PolarHBondContact SG-O 2.9Å; G40-N76 PolarHBondContact O-N 3.36Å; R42-N76 WeakPolarHBondContact CD-OD1 3.45Å; R42-N76 WeakPolarHBondContact CG-OD1 3.33Å; R42-N76 PolarHBondContact NE-OD1 3.48Å
77Y85.6Confident68.7Low94 Ų9499.1 Ų99.137%0.36950%0.495SS..PPolyproline II helixtrans-87.1143165.4-63.1-76.3000109E9 F35 P36 A38 V75 K79E9-Y77 HydrophobicContact CB-CE2 4.47Å; F35-Y77 HydrophobicContact CB-CE1 4.49Å; P36-Y77 WeakPolarHBondContact O-CE1 3.49Å; A38-Y77 HydrophobicContact CB-CE1 4.26Å; V75-Y77 HydrophobicContact CB-CE2 4.43Å; V75-Y77 HydrophobicContact CG2-CD2 4.32Å; V75-Y77 HydrophobicContact CG2-CE2 3.5Å; Y77-K79 PolarHBondContact O-N 2.93Å
78P78.3Confident66.2Low63 Ų63104 Ų10441%0.40952%0.519SS..PPolyproline II helixtrans-54.9123162.126.7-29000104.4G37 C39 D80G37-P78 WeakPolarHBondContact O-CD 3.14Å; C39-P78 HydrophobicContact CB-CG 4.46Å; P78-D80 PolarHBondContact O-N 3.22Å
79K69.1Low63.6Low194 Ų194111 Ų11184%0.84356%0.557SS**  trans-61104.3166.6-77.9-178177.4-176.20104.4Y77 N81Y77-K79 PolarHBondContact O-N 2.93Å; K79-N81 PolarHBondContact O-N 2.98Å
80D45.7Very low61.2Low144 Ų144112.7 Ų112.777%0.7757%0.566SS**  trans-5688.4156.3-82.7-55.9000104.9P78 K82P78-D80 PolarHBondContact O-N 3.22Å; D80-K82 PolarHBondContact O-N 3.35Å
81N40.1Very low58.7Low124 Ų124111.4 Ų111.466%0.66357%0.568SS**  trans-57.190.2141.8-107.665.2000102.4K79 R83K79-N81 PolarHBondContact O-N 2.98Å; N81-R83 HydrophobicContact CB-CG 4.36Å; N81-R83 PolarHBondContact O-N 2.96Å
82K36.3Very low56.4Low197 Ų197114.3 Ų114.386%0.85759%0.592SS**  trans-57.666.9161.3-168.2170.3-174163.10106.3D80 K84D80-K82 PolarHBondContact O-N 3.35Å; K82-K84 VanDerWaalsContact C-N 3.27Å; K82-K84 PolarHBondContact O-N 3.47Å
83R44.5Very low54.3Low181 Ų181116.1 Ų116.168%0.68361%0.613SS**  trans-61.2103.9158.4-78.4-176-92152.9-5.4101N81 M85N81-R83 HydrophobicContact CB-CG 4.36Å; N81-R83 PolarHBondContact O-N 2.96Å; R83-M85 PolarHBondContact O-N 3.14Å
84K37.7Very low51.8Low200 Ų200122.1 Ų122.187%0.8765%0.65SS**  trans-37.4112.7163.1-82.4179.1171.7-1780106.3K82 D86K82-K84 VanDerWaalsContact C-N 3.27Å; K82-K84 PolarHBondContact O-N 3.47Å; K84-D86 PolarHBondContact O-N 3.38Å; K84-D86 VanDerWaalsContact O-N 3.11Å
85M36.4Very low49.1Very low183 Ų183131.1 Ų131.190%0.90169%0.688SS**  trans-68.5103.3169.4-161.8163.289.100104R83R83-M85 PolarHBondContact O-N 3.14Å
86D36.9Very low46.5Very low142 Ų142136.6 Ų136.676%0.75972%0.722SS**  trans-101.7112.7161.5-158.1-111.7000104.8K84 T88K84-D86 PolarHBondContact O-N 3.38Å; K84-D86 VanDerWaalsContact O-N 3.11Å; D86-T88 PolarHBondContact O-N 2.89Å
87E45.4Very low44.1Very low180 Ų180142.5 Ų142.584%0.84175%0.745SS**  trans-55.3114.8166.8-89.5-167.487.800108.1
88T34.5Very low41.6Very low131 Ų131147.2 Ų147.280%0.80476%0.762SS**  trans-152.8129.8140.8-60.50000109.7D86D86-T88 PolarHBondContact O-N 2.89Å
89D33.4Very low39.6Very low151 Ų151147.9 Ų147.981%0.80777%0.773SS**  trans-45.8159.9-176.6-153.2-125.4000119
90A35.2Very low38.1Very low77 Ų77145.4 Ų145.464%0.63677%0.774SS**  trans67.7108.8148.900000121.8
91S34.5Very low37.9Very low110 Ų110144.5 Ų144.577%0.76977%0.765SS**  86.4127.1127.5-158.70000119.8
92S38.9Very low38.2Very low107 Ų107147.7 Ų147.775%0.74877%0.773SS**  trans82.484.4153.9-53.40000117.7V94S92-V94 PolarHBondContact O-N 2.84Å
93A46.3Very low38.9Very low98 Ų98139.4 Ų139.481%0.8174%0.739SS**  trans7.3109.8131.200000116.5
94V39.4Very low40Very low127 Ų127133.6 Ų133.677%0.7773%0.726SS**  170.898107.5174.30000105.4S92S92-V94 PolarHBondContact O-N 2.84Å
95K33.4Very low41.8Very low197 Ų197126.3 Ų126.386%0.85770%0.696SS**  trans-141.889.5160-122.8170.4-174.31750108.9K97K95-K97 PolarHBondContact O-N 2.73Å
96V36.9Very low44Very low121 Ų121117.6 Ų117.673%0.73365%0.653SS**  trans-42.8101.7162.1177.50000107.5R98V96-R98 PolarHBondContact O-N 3.11Å
97K38.1Very low46.2Very low172 Ų172110.9 Ų110.975%0.74862%0.618SS**  trans-74.686.7174.4-68.2-177.3-178.8175.40106.7K95 A99K95-K97 PolarHBondContact O-N 2.73Å; K97-A99 PolarHBondContact O-N 2.91Å
98R33.4Very low48Very low193 Ų193102.4 Ų102.473%0.72858%0.578SS**  trans-46.2124.6163.1-75-179.4175172.3-1.6107V96 V100 E154V96-R98 PolarHBondContact O-N 3.11Å; R98-V100 PolarHBondContact O-N 2.79Å; R98-V100 VanDerWaalsContact O-N 3.12Å; R98-E154 IonicContact NH1-OE1 2.91Å; R98-E154 PolarHBondContact NH1-OE1 2.84Å
99A35.4Very low50.4Low77 Ų7798.9 Ų98.964%0.63655%0.554SS**  trans-45.212217000000108.2K97 Q101K97-A99 PolarHBondContact O-N 2.91Å; A99-Q101 PolarHBondContact O-N 2.88Å
100V38.5Very low52.6Low142 Ų14293.1 Ų93.186%0.86153%0.53SS*.  trans-68.485165.9178.70000105.6R98 K102R98-V100 PolarHBondContact O-N 2.79Å; R98-V100 VanDerWaalsContact O-N 3.12Å; V100-K102 PolarHBondContact O-N 3.3Å
101Q40.1Very low54.9Low124 Ų12489.6 Ų89.658%0.57950%0.501SS*.  trans-52124.8162.3-73-74.6-18.100106.2A99 T103A99-Q101 PolarHBondContact O-N 2.88Å; Q101-T103 PolarHBondContact O-N 3.07Å
102K47.2Very low57.1Low191 Ų19184.9 Ų84.983%0.8347%0.467SS*.  trans-6196178-69.7176178.9177.70109V100 S104V100-K102 PolarHBondContact O-N 3.3Å; K102-S104 PolarHBondContact O-N 2.9Å
103T50.7Low59.1Low23 Ų2388.8 Ų88.814%0.14147%0.466CS..PPolyproline II helixtrans-70.6126.3172.351.70000109.2Q101 F152 T153Q101-T103 PolarHBondContact O-N 3.07Å; T103-F152 WeakPolarHBondContact CB-O 3.32Å; T103-F152 VanDerWaalsContact CG2-O 3.24Å; T103-F152 WeakPolarHBondContact CG2-O 3.38Å; T103-F152 PolarHBondContact OG1-O 2.76Å; T103-T153 VanDerWaalsContact CG2-O 3.3Å; T103-T153 WeakPolarHBondContact CG2-O 3.31Å
104S67.1Low60.7Low59 Ų5990.5 Ų90.541%0.41346%0.455SS..PPolyproline II helixtrans-87.9149.5-179.9-57.40000110.5K102 L106 Q158K102-S104 PolarHBondContact O-N 2.9Å; S104-L106 PolarHBondContact O-N 2.79Å; S104-Q158 VanDerWaalsContact N-OE1 3.08Å; S104-Q158 PolarHBondContact O-NE2 3.41Å; S104-Q158 PolarHBondContact O-OE1 3.45Å
105D76.9Confident62.7Low47 Ų4784.6 Ų84.625%0.25142%0.419SS..PPolyproline II helixtrans-65.8120.5175.4-65.1-31.6000109.8R151 P178D105-R151 IonicContact OD1-CZ 3.92Å; D105-R151 IonicContact OD1-NE 3.08Å; D105-R151 PolarHBondContact OD1-NE 2.92Å; D105-R151 IonicContact OD1-NH2 3.64Å; D105-R151 PolarHBondContact OD1-NH2 3.46Å; D105-R151 IonicContact OD2-CZ 3.51Å; D105-R151 IonicContact OD2-NH2 3.22Å; D105-R151 PolarHBondContact OD2-NH2 3.47Å; D105-P178 WeakPolarHBondContact O-CD 2.88Å; D105-P178 VanDerWaalsContact O-CG 3.25Å; D105-P178 WeakPolarHBondContact O-CG 3.39Å
106L80.8Confident65Low0 Ų077.7 Ų77.70%039%0.394CS..EExtended strand (participates in β ladder)trans-86.8141.4172.3-67.1-176.2000110S104 F149 V150 F152 Q158 V161 M162 L177S104-L106 PolarHBondContact O-N 2.79Å; L106-F149 CarbonylContact O-C 3.53Å; L106-F149 WeakPolarHBondContact O-CA 3.25Å; L106-V150 HydrophobicContact CB-CG1 3.79Å; L106-V150 HydrophobicContact CD1-CG1 4.45Å; L106-V150 PolarHBondContact N-O 3.41Å; L106-V150 PolarHBondContact O-N 3.15Å; L106-F152 HydrophobicContact CD1-CD2 4.2Å; L106-F152 HydrophobicContact CD1-CE2 4.01Å; L106-Q158 HydrophobicContact CD1-CG 3.53Å; L106-Q158 HydrophobicContact CD2-CG 3.73Å; L106-Q158 VanDerWaalsContact CD2-NE2 3.28Å; L106-Q158 HydrophobicContact CG-CG 3.62Å; L106-V161 HydrophobicContact CD1-CG1 4.08Å; L106-M162 HydrophobicContact CD1-CG 3.99Å; L106-M162 HydrophobicContact CD2-CG 3.58Å; L106-M162 HydrophobicContact CD2-SD 3.46Å; L106-M162 WeakPolarHBondContact CD2-SD 3.38Å; L106-M162 HydrophobicContact CG-CG 4.46Å; L106-L177 HydrophobicContact CD2-CD2 3.94Å; L106-L177 HydrophobicContact CD2-CG 4.22Å
107I83.8Confident67.1Low2 Ų275.9 Ų75.91%0.0138%0.377CS..EExtended strand (participates in β ladder)trans-96.3128.3167.2-171.8169000109.5L109 F147 G148 F149 C175 K176 P178 L186I107-L109 HydrophobicContact CD1-CD2 3.87Å; I107-L109 HydrophobicContact CG1-CD2 4.03Å; I107-L109 HydrophobicContact CG1-CG 4.29Å; I107-F147 HydrophobicContact CD1-CD2 4.13Å; I107-G148 CarbonylContact C-O 3.53Å; I107-G148 WeakPolarHBondContact CA-O 3.29Å; I107-F149 HydrophobicContact CB-CD1 4.14Å; I107-F149 HydrophobicContact CB-CE1 3.93Å; I107-F149 HydrophobicContact CD1-CE1 4.06Å; I107-F149 HydrophobicContact CD1-CZ 4.07Å; I107-F149 HydrophobicContact CG1-CD1 4.41Å; I107-F149 HydrophobicContact CG1-CE1 4.03Å; I107-F149 HydrophobicContact CG1-CZ 4.37Å; I107-C175 WeakPolarHBondContact O-CA 3.31Å; I107-K176 HydrophobicContact CG2-CB 4.31Å; I107-K176 VanDerWaalsContact CG2-O 3.3Å; I107-K176 WeakPolarHBondContact CG2-O 3.39Å; I107-K176 PolarHBondContact N-O 2.75Å; I107-K176 PolarHBondContact O-N 3.05Å; I107-P178 HydrophobicContact CB-CB 4.15Å; I107-P178 HydrophobicContact CB-CG 4.47Å; I107-P178 HydrophobicContact CG2-CB 3.93Å; I107-P178 HydrophobicContact CG2-CG 4.47Å; I107-L186 HydrophobicContact CD1-CD1 3.57Å
108V84.3Confident69.1Low1 Ų172.6 Ų72.61%0.00637%0.365CS..EExtended strand (participates in β ladder)trans-101.4117.3174.7-1690000107.8L111 F124 F147 G148 V150 C173V108-L111 HydrophobicContact CB-CD1 4.27Å; V108-L111 HydrophobicContact CB-CG 4.43Å; V108-L111 HydrophobicContact CG1-CD1 4.29Å; V108-L111 HydrophobicContact CG1-CD2 3.72Å; V108-L111 HydrophobicContact CG1-CG 3.95Å; V108-F124 HydrophobicContact CG1-CE2 4.49Å; V108-F124 HydrophobicContact CG1-CZ 4.17Å; V108-F124 HydrophobicContact CG2-CE2 3.86Å; V108-F124 HydrophobicContact CG2-CZ 3.84Å; V108-F147 CarbonylContact O-C 3.57Å; V108-F147 WeakPolarHBondContact O-CA 3.09Å; V108-F147 WeakPolarHBondContact O-CB 3.15Å; V108-G148 PolarHBondContact N-O 3.29Å; V108-G148 PolarHBondContact O-N 3.4Å; V108-V150 HydrophobicContact CG2-CB 4.4Å; V108-V150 HydrophobicContact CG2-CG1 3.68Å; V108-C173 HydrophobicContact CG1-CB 4.21Å
109L83.9Confident71.6Confident57 Ų5766.5 Ų66.530%0.29835%0.347SS..EExtended strand (participates in β ladder)trans-107.8145.8-177.6-63.9170000110.3I107 F147 C173 D174I107-L109 HydrophobicContact CD1-CD2 3.87Å; I107-L109 HydrophobicContact CG1-CD2 4.03Å; I107-L109 HydrophobicContact CG1-CG 4.29Å; L109-F147 HydrophobicContact CD2-CB 3.96Å; L109-C173 WeakPolarHBondContact O-CA 3.33Å; L109-D174 PolarHBondContact N-O 2.82Å; L109-D174 PolarHBondContact O-N 2.94Å
110G79.6Confident74Confident30 Ų3062.9 Ų62.931%0.30932%0.317SS..SBendtrans86.721.3175.700000114.2G146 R171 C173G110-G146 PolarHBondContact N-O 2.83Å; G110-R171 WeakPolarHBondContact O-CD 3.37Å; G110-R171 WeakPolarHBondContact O-CG 3.28Å; G110-R171 PolarHBondContact O-NE 3.2Å; G110-C173 PolarHBondContact O-SG 2.64Å
111L84.1Confident76.1Confident4 Ų460.8 Ų60.82%0.02130%0.296CS..  trans-66139.8178.8-68.7171.7000111.7V108 T115 L120 G146 I168V108-L111 HydrophobicContact CB-CD1 4.27Å; V108-L111 HydrophobicContact CB-CG 4.43Å; V108-L111 HydrophobicContact CG1-CD1 4.29Å; V108-L111 HydrophobicContact CG1-CD2 3.72Å; V108-L111 HydrophobicContact CG1-CG 3.95Å; L111-T115 HydrophobicContact CD2-CG2 4.5Å; L111-L120 HydrophobicContact CD1-CD1 3.67Å; L111-L120 HydrophobicContact CD1-CD2 4.36Å; L111-L120 HydrophobicContact CD2-CD1 4.19Å; L111-L120 HydrophobicContact CD2-CD2 3.43Å; L111-L120 VanDerWaalsContact CD2-CD2 3.43Å; L111-L120 HydrophobicContact CD2-CG 4.24Å; L111-G146 PolarHBondContact N-O 2.95Å; L111-G146 VanDerWaalsContact O-CA 3.31Å; L111-G146 WeakPolarHBondContact O-CA 3.28Å; L111-I168 HydrophobicContact CD2-CD1 4.07Å
112P80.6Confident78.2Confident10 Ų1059.1 Ų59.17%0.06529%0.291CS..  trans-59.8149.1168.4-14.424.6000111.7K114 T115 D169 R171P112-K114 HydrophobicContact CB-CG 3.93Å; P112-K114 PolarHBondContact O-N 2.78Å; P112-T115 WeakPolarHBondContact CB-OG1 3.38Å; P112-T115 VanDerWaalsContact CD-OG1 3.25Å; P112-T115 WeakPolarHBondContact CD-OG1 3.27Å; P112-T115 WeakPolarHBondContact CG-OG1 3.48Å; P112-T115 WeakPolarHBondContact O-CB 3.14Å; P112-T115 PolarHBondContact O-N 3.48Å; P112-D169 HydrophobicContact CB-CB 4.36Å; P112-D169 HydrophobicContact CG-CB 3.61Å; P112-R171 HydrophobicContact CG-CB 3.83Å
113W80.9Confident80.1Confident189 Ų18952.9 Ų52.972%0.71626%0.263SS*.THydrogen-bonded Turntrans-67.2-27.5179.9-60.8-43000113.9T115 S144W113-T115 VanDerWaalsContact C-N 3.32Å; W113-S144 PolarHBondContact NE1-O 2.88Å; W113-S144 WeakPolarHBondContact O-CB 3.18Å; W113-S144 PolarHBondContact O-OG 3.05Å
114K80.1Confident81.8Confident135 Ų13551.8 Ų51.859%0.58726%0.256SS*.THydrogen-bonded Turntrans-73.8-20176.761.1169.4177.7150.40113.9P112 T116 D169P112-K114 HydrophobicContact CB-CG 3.93Å; P112-K114 PolarHBondContact O-N 2.78Å; K114-T116 PolarHBondContact O-N 2.84Å; K114-D169 VanDerWaalsContact CE-CG 3.48Å; K114-D169 WeakPolarHBondContact CE-OD1 3.48Å; K114-D169 VanDerWaalsContact NZ-CG 3.33Å; K114-D169 PolarHBondContact NZ-O 2.79Å; K114-D169 VanDerWaalsContact NZ-O 3.14Å; K114-D169 IonicContact NZ-OD1 2.74Å; K114-D169 PolarHBondContact NZ-OD1 3.49Å
115T80.4Confident82.5Confident2 Ų252.3 Ų52.31%0.01226%0.26CS..  trans-72129-172-58.80000110.6L111 P112 W113 D119 L120 I168 D169L111-T115 HydrophobicContact CD2-CG2 4.5Å; P112-T115 WeakPolarHBondContact CB-OG1 3.38Å; P112-T115 VanDerWaalsContact CD-OG1 3.25Å; P112-T115 WeakPolarHBondContact CD-OG1 3.27Å; P112-T115 WeakPolarHBondContact CG-OG1 3.48Å; P112-T115 WeakPolarHBondContact O-CB 3.14Å; P112-T115 PolarHBondContact O-N 3.48Å; W113-T115 VanDerWaalsContact C-N 3.32Å; T115-D119 HydrophobicContact CG2-CB 4.07Å; T115-L120 HydrophobicContact CG2-CD1 4.37Å; T115-L120 HydrophobicContact CG2-CD2 4.34Å; T115-L120 HydrophobicContact CG2-CG 3.85Å; T115-I168 HydrophobicContact CG2-CG2 3.98Å; T115-D169 PolarHBondContact OG1-OD2 3.29Å
116T82.3Confident82.8Confident53 Ų5355.1 Ų55.133%0.32528%0.279SS..  trans-97.1169179.369.20000111.9K114 Q118 D119 L120K114-T116 PolarHBondContact O-N 2.84Å; T116-Q118 PolarHBondContact O-N 3.19Å; T116-Q118 PolarHBondContact OG1-N 2.86Å; T116-D119 WeakPolarHBondContact CB-OD2 3.23Å; T116-D119 PolarHBondContact N-OD2 3.28Å; T116-D119 PolarHBondContact O-N 3.28Å; T116-D119 PolarHBondContact OG1-N 2.85Å; T116-D119 PolarHBondContact OG1-OD2 2.71Å; T116-L120 PolarHBondContact O-N 3.02Å
117E81.6Confident82.8Confident82 Ų8257.6 Ų57.638%0.38329%0.289SS..Hα-helixtrans-61.1-33.3173.1-69.8170152.900111.6K121 V133 Q134 V135E117-K121 WeakPolarHBondContact O-CB 3.37Å; E117-K121 PolarHBondContact O-N 2.95Å; E117-V133 HydrophobicContact CB-CG1 4.24Å; E117-V133 HydrophobicContact CG-CG1 4.48Å; E117-Q134 VanDerWaalsContact OE1-CA 3.29Å; E117-Q134 WeakPolarHBondContact OE1-CA 3.48Å; E117-V135 HydrophobicContact CB-CG2 4.45Å; E117-V135 HydrophobicContact CG-CB 3.77Å; E117-V135 HydrophobicContact CG-CG2 3.61Å; E117-V135 VanDerWaalsContact CG-N 3.35Å; E117-V135 PolarHBondContact OE1-N 2.84Å
118Q79.9Confident82.6Confident103 Ų10358.3 Ų58.348%0.48130%0.298SS..Hα-helixtrans-67.6-47.3178.3-169.759.941.800110.9T116 L120 K121 D122T116-Q118 PolarHBondContact O-N 3.19Å; T116-Q118 PolarHBondContact OG1-N 2.86Å; Q118-L120 VanDerWaalsContact C-N 3.29Å; Q118-L120 PolarHBondContact O-N 3.11Å; Q118-K121 WeakPolarHBondContact O-CB 3.45Å; Q118-K121 PolarHBondContact O-N 3.41Å; Q118-D122 PolarHBondContact NE2-OD1 3.35Å; Q118-D122 VanDerWaalsContact NE2-OD1 3.15Å; Q118-D122 PolarHBondContact NE2-OD2 3.46Å; Q118-D122 PolarHBondContact O-N 2.99Å
119D85.3Confident82.1Confident66 Ų6664.7 Ų64.735%0.35333%0.327SS..Hα-helixtrans-59.5-41177.9-56.4-48.5000111.9T115 T116 Y123T115-D119 HydrophobicContact CG2-CB 4.07Å; T116-D119 WeakPolarHBondContact CB-OD2 3.23Å; T116-D119 PolarHBondContact N-OD2 3.28Å; T116-D119 PolarHBondContact O-N 3.28Å; T116-D119 PolarHBondContact OG1-N 2.85Å; T116-D119 PolarHBondContact OG1-OD2 2.71Å; D119-Y123 VanDerWaalsContact O-CB 3.28Å; D119-Y123 WeakPolarHBondContact O-CB 3.46Å; D119-Y123 PolarHBondContact O-N 3.37Å
120L85.3Confident82Confident1 Ų162.7 Ų62.71%0.00532%0.318CS..Hα-helixtrans-65.7-42.1175-79.8167.4000112L111 T115 T116 Q118 Y123 F124 V133 V135 I168L111-L120 HydrophobicContact CD1-CD1 3.67Å; L111-L120 HydrophobicContact CD1-CD2 4.36Å; L111-L120 HydrophobicContact CD2-CD1 4.19Å; L111-L120 HydrophobicContact CD2-CD2 3.43Å; L111-L120 VanDerWaalsContact CD2-CD2 3.43Å; L111-L120 HydrophobicContact CD2-CG 4.24Å; T115-L120 HydrophobicContact CG2-CD1 4.37Å; T115-L120 HydrophobicContact CG2-CD2 4.34Å; T115-L120 HydrophobicContact CG2-CG 3.85Å; T116-L120 PolarHBondContact O-N 3.02Å; Q118-L120 VanDerWaalsContact C-N 3.29Å; Q118-L120 PolarHBondContact O-N 3.11Å; L120-Y123 PolarHBondContact O-N 3.06Å; L120-F124 HydrophobicContact CB-CD2 4.29Å; L120-F124 HydrophobicContact CB-CE2 4.43Å; L120-F124 HydrophobicContact CD2-CD2 4.15Å; L120-F124 HydrophobicContact CD2-CE2 3.51Å; L120-F124 HydrophobicContact CD2-CZ 4.39Å; L120-F124 WeakPolarHBondContact O-CB 3.48Å; L120-F124 WeakPolarHBondContact O-CD2 3.37Å; L120-F124 PolarHBondContact O-N 3.44Å; L120-V133 HydrophobicContact CB-CG1 3.67Å; L120-V133 HydrophobicContact CD1-CG1 4.08Å; L120-V135 HydrophobicContact CD1-CG2 3.3Å; L120-I168 HydrophobicContact CD2-CD1 3.53Å; L120-I168 HydrophobicContact CD2-CG2 4.44Å
121K84.1Confident81.7Confident98 Ų9866.1 Ų66.143%0.42633%0.328SS..Hα-helixtrans-61.6-48.2177.7-172.5-179179.1-175.70110.4E117 Q118 Y123 F124 S125 V133E117-K121 WeakPolarHBondContact O-CB 3.37Å; E117-K121 PolarHBondContact O-N 2.95Å; Q118-K121 WeakPolarHBondContact O-CB 3.45Å; Q118-K121 PolarHBondContact O-N 3.41Å; K121-Y123 PolarHBondContact O-N 3.02Å; K121-F124 PolarHBondContact O-N 2.96Å; K121-S125 WeakPolarHBondContact O-CB 3.42Å; K121-S125 PolarHBondContact O-N 2.93Å; K121-V133 HydrophobicContact CB-CG2 3.86Å; K121-V133 HydrophobicContact CG-CG2 4.27Å
122D84.6Confident81.1Confident89 Ų8968.6 Ų68.648%0.47634%0.34SS..Hα-helixtrans-64.3-42-179.3-65.9-30.6000111Q118Q118-D122 PolarHBondContact NE2-OD1 3.35Å; Q118-D122 VanDerWaalsContact NE2-OD1 3.15Å; Q118-D122 PolarHBondContact NE2-OD2 3.46Å; Q118-D122 PolarHBondContact O-N 2.99Å
123Y86.4Confident81.2Confident60 Ų6069.2 Ų69.224%0.23534%0.344CS..Hα-helixtrans-63.2-51.5174.8-179.9-91.8000112.2D119 L120 K121 S125 T126 F127 H166 M167 I168D119-Y123 VanDerWaalsContact O-CB 3.28Å; D119-Y123 WeakPolarHBondContact O-CB 3.46Å; D119-Y123 PolarHBondContact O-N 3.37Å; L120-Y123 PolarHBondContact O-N 3.06Å; K121-Y123 PolarHBondContact O-N 3.02Å; Y123-S125 VanDerWaalsContact C-N 3.29Å; Y123-S125 PolarHBondContact O-N 3.48Å; Y123-T126 WeakPolarHBondContact O-CB 3.3Å; Y123-T126 PolarHBondContact O-N 2.92Å; Y123-T126 PolarHBondContact O-OG1 2.9Å; Y123-F127 HydrophobicContact CD1-CE2 4.16Å; Y123-F127 HydrophobicContact CE1-CD2 4.49Å; Y123-F127 AromaticContact CE1-CE2 3.57Å; Y123-F127 HydrophobicContact CE1-CE2 3.57Å; Y123-F127 HydrophobicContact CE1-CZ 4.32Å; Y123-F127 AromaticContact CZ-CE2 3.83Å; Y123-H166 HydrophobicContact CE1-CB 3.74Å; Y123-H166 AromaticContact CE1-CG 3.83Å; Y123-H166 AromaticContact CE1-ND1 3.37Å; Y123-H166 WeakPolarHBondContact CE1-ND1 3.47Å; Y123-H166 AromaticContact CZ-ND1 3.73Å; Y123-H166 WeakPolarHBondContact OH-CA 3.22Å; Y123-H166 WeakPolarHBondContact OH-CB 3.37Å; Y123-H166 PolarHBondContact OH-ND1 2.82Å; Y123-H166 VanDerWaalsContact OH-ND1 3.15Å; Y123-M167 WeakPolarHBondContact CE2-O 3.48Å; Y123-M167 PolarHBondContact OH-N 2.93Å; Y123-I168 HydrophobicContact CD1-CD1 3.82Å; Y123-I168 HydrophobicContact CD1-CG1 3.92Å; Y123-I168 HydrophobicContact CD2-CG1 4.36Å; Y123-I168 HydrophobicContact CE1-CD1 3.98Å; Y123-I168 HydrophobicContact CE1-CG1 3.86Å; Y123-I168 HydrophobicContact CE2-CG1 4.29Å; Y123-I168 HydrophobicContact CG-CD1 4.4Å; Y123-I168 HydrophobicContact CG-CG1 4.19Å
124F85.4Confident81.2Confident0 Ų062 Ų620%032%0.318CS..Hα-helixtrans-71.5-23.9-178-74.5-57.4000113.4V108 L120 K121 T126 F127 G128 V130 V150 F152 V161 I168V108-F124 HydrophobicContact CG1-CE2 4.49Å; V108-F124 HydrophobicContact CG1-CZ 4.17Å; V108-F124 HydrophobicContact CG2-CE2 3.86Å; V108-F124 HydrophobicContact CG2-CZ 3.84Å; L120-F124 HydrophobicContact CB-CD2 4.29Å; L120-F124 HydrophobicContact CB-CE2 4.43Å; L120-F124 HydrophobicContact CD2-CD2 4.15Å; L120-F124 HydrophobicContact CD2-CE2 3.51Å; L120-F124 HydrophobicContact CD2-CZ 4.39Å; L120-F124 WeakPolarHBondContact O-CB 3.48Å; L120-F124 WeakPolarHBondContact O-CD2 3.37Å; L120-F124 PolarHBondContact O-N 3.44Å; K121-F124 PolarHBondContact O-N 2.96Å; F124-T126 PolarHBondContact O-N 3.22Å; F124-F127 HydrophobicContact CD1-CD2 4.34Å; F124-F127 PolarHBondContact O-N 3.12Å; F124-G128 PolarHBondContact O-N 2.75Å; F124-V130 HydrophobicContact CB-CG2 3.67Å; F124-V150 HydrophobicContact CB-CG2 4.45Å; F124-V150 HydrophobicContact CD2-CB 4.38Å; F124-V150 HydrophobicContact CD2-CG1 4.45Å; F124-V150 HydrophobicContact CD2-CG2 4.03Å; F124-V150 HydrophobicContact CE2-CG1 4.28Å; F124-V150 HydrophobicContact CG-CG2 4.32Å; F124-F152 HydrophobicContact CB-CE1 3.93Å; F124-F152 HydrophobicContact CB-CZ 3.72Å; F124-F152 AromaticContact CD1-CZ 3.73Å; F124-F152 HydrophobicContact CD1-CZ 3.73Å; F124-F152 AromaticContact CG-CZ 3.86Å; F124-F152 HydrophobicContact CG-CZ 3.86Å; F124-V161 HydrophobicContact CD1-CG1 4.17Å; F124-V161 HydrophobicContact CE1-CG1 3.78Å; F124-I168 HydrophobicContact CE2-CD1 4.27Å; F124-I168 HydrophobicContact CZ-CD1 4.05Å
125S82.4Confident81.3Confident70 Ų7056.1 Ų56.149%0.4929%0.293SS..THydrogen-bonded Turntrans-62.8-19.8173.5-166.80000112.9K121 Y123 F127 G128K121-S125 WeakPolarHBondContact O-CB 3.42Å; K121-S125 PolarHBondContact O-N 2.93Å; Y123-S125 VanDerWaalsContact C-N 3.29Å; Y123-S125 PolarHBondContact O-N 3.48Å; S125-F127 VanDerWaalsContact C-N 3.28Å; S125-G128 WeakPolarHBondContact CA-O 3.43Å
126T83.8Confident81.3Confident106 Ų10658 Ų5865%0.6530%0.301SS*.THydrogen-bonded Turntrans-71.3-23173.466.90000113.3Y123 F124Y123-T126 WeakPolarHBondContact O-CB 3.3Å; Y123-T126 PolarHBondContact O-N 2.92Å; Y123-T126 PolarHBondContact O-OG1 2.9Å; F124-T126 PolarHBondContact O-N 3.22Å
127F80.1Confident81Confident51 Ų5159.9 Ų59.922%0.22431%0.305CS..THydrogen-bonded Turntrans-92.8-32.3179-62.1-81.8000112.3Y123 F124 S125 T157 V161 H166Y123-F127 HydrophobicContact CD1-CE2 4.16Å; Y123-F127 HydrophobicContact CE1-CD2 4.49Å; Y123-F127 AromaticContact CE1-CE2 3.57Å; Y123-F127 HydrophobicContact CE1-CE2 3.57Å; Y123-F127 HydrophobicContact CE1-CZ 4.32Å; Y123-F127 AromaticContact CZ-CE2 3.83Å; F124-F127 HydrophobicContact CD1-CD2 4.34Å; F124-F127 PolarHBondContact O-N 3.12Å; S125-F127 VanDerWaalsContact C-N 3.28Å; F127-T157 HydrophobicContact CB-CG2 4.07Å; F127-T157 WeakPolarHBondContact O-CG2 3.47Å; F127-V161 HydrophobicContact CB-CG2 3.88Å; F127-V161 HydrophobicContact CD2-CG2 4.46Å; F127-V161 HydrophobicContact CG-CG2 4.03Å; F127-H166 AromaticContact CE2-ND1 3.84Å; F127-H166 AromaticContact CZ-CE1 3.96Å; F127-H166 AromaticContact CZ-ND1 3.8Å
128G78.8Confident80.5Confident18 Ų1858.5 Ų58.519%0.18630%0.3CS..SBendtrans172.5179.8174.900000111.7F124 S125 V130F124-G128 PolarHBondContact O-N 2.75Å; S125-G128 WeakPolarHBondContact CA-O 3.43Å; G128-V130 PolarHBondContact O-N 2.84Å
129E75.3Confident79.6Confident134 Ų13462 Ų6263%0.62632%0.321SS*.  trans-70.2125.3-174.9-177.5-176.4-173.400111.6T153E129-T153 HydrophobicContact CB-CG2 3.97Å; E129-T153 WeakPolarHBondContact CB-OG1 2.83Å; E129-T153 HydrophobicContact CG-CG2 3.68Å; E129-T153 PolarHBondContact O-N 3.33Å; E129-T153 PolarHBondContact O-OG1 3.26Å
130V80.8Confident78.5Confident16 Ų1668.2 Ų68.210%0.09735%0.345CS..EExtended strand (participates in β ladder)trans-98.2118.5-177.4-174.70000109.5F124 G128 V133 V150 R151 F152F124-V130 HydrophobicContact CB-CG2 3.67Å; G128-V130 PolarHBondContact O-N 2.84Å; V130-V133 HydrophobicContact CG1-CG2 3.44Å; V130-V133 VanDerWaalsContact CG1-CG2 3.44Å; V130-V150 HydrophobicContact CG1-CG2 3.66Å; V130-R151 CarbonylContact C-O 3.56Å; V130-R151 WeakPolarHBondContact CG1-O 3.4Å; V130-F152 HydrophobicContact CG2-CD1 4.06Å; V130-F152 HydrophobicContact CG2-CE1 3.71Å; V130-F152 HydrophobicContact CG2-CZ 4.46Å
131L73.5Confident77.8Confident101 Ų10172.2 Ų72.253%0.52937%0.37SS..EExtended strand (participates in β ladder)trans-73.3-43176.4-76.2177.1000112.2R151 F152 T153L131-R151 HydrophobicContact CB-CB 4.28Å; L131-R151 HydrophobicContact CB-CG 4.11Å; L131-R151 HydrophobicContact CD1-CG 4.07Å; L131-R151 PolarHBondContact N-O 2.64Å; L131-F152 WeakPolarHBondContact CD1-O 3.49Å; L131-T153 HydrophobicContact CD1-CG2 4.22Å; L131-T153 HydrophobicContact CD2-CG2 3.52Å; L131-T153 HydrophobicContact CG-CG2 3.52Å
132M72.1Confident76.9Confident57 Ų5770 Ų7028%0.28137%0.374SS..EExtended strand (participates in β ladder)trans-152.7140.9-174.3-176.1174.9-171.700110.6Q134 V150 R151 I200M132-Q134 HydrophobicContact CE-CB 4.4Å; M132-V150 CarbonylContact O-C 3.48Å; M132-V150 WeakPolarHBondContact O-CA 3.48Å; M132-R151 HydrophobicContact CB-CB 4.15Å; M132-R151 PolarHBondContact N-O 2.98Å; M132-R151 PolarHBondContact O-N 2.81Å; M132-I200 HydrophobicContact CE-CB 4.02Å; M132-I200 HydrophobicContact CE-CG2 4.42Å
133V81.8Confident76.1Confident22 Ų2272.2 Ų72.213%0.13338%0.382CS..EExtended strand (participates in β ladder)trans-128.5138167.9-1780000107.9E117 L120 K121 V130 F149 V150E117-V133 HydrophobicContact CB-CG1 4.24Å; E117-V133 HydrophobicContact CG-CG1 4.48Å; L120-V133 HydrophobicContact CB-CG1 3.67Å; L120-V133 HydrophobicContact CD1-CG1 4.08Å; K121-V133 HydrophobicContact CB-CG2 3.86Å; K121-V133 HydrophobicContact CG-CG2 4.27Å; V130-V133 HydrophobicContact CG1-CG2 3.44Å; V130-V133 VanDerWaalsContact CG1-CG2 3.44Å; V133-F149 CarbonylContact C-O 3.56Å; V133-F149 WeakPolarHBondContact CA-O 3.5Å; V133-V150 HydrophobicContact CG2-CG2 4.14Å
134Q80.4Confident75.6Confident39 Ų3970 Ų7018%0.18237%0.374CS..EExtended strand (participates in β ladder)trans-141.9121.9172.7-176.7169.976.100111.2E117 M132 G148 F149E117-Q134 VanDerWaalsContact OE1-CA 3.29Å; E117-Q134 WeakPolarHBondContact OE1-CA 3.48Å; M132-Q134 HydrophobicContact CE-CB 4.4Å; Q134-G148 CarbonylContact O-C 3.4Å; Q134-G148 WeakPolarHBondContact O-CA 3.39Å; Q134-F149 PolarHBondContact N-O 3.19Å; Q134-F149 PolarHBondContact O-N 3.15Å
135V83.7Confident74.9Confident10 Ų1074.9 Ų74.96%0.06140%0.396CS..EExtended strand (participates in β ladder)trans-95.5124.3174.9175.70000108.6E117 L120 K137E117-V135 HydrophobicContact CB-CG2 4.45Å; E117-V135 HydrophobicContact CG-CB 3.77Å; E117-V135 HydrophobicContact CG-CG2 3.61Å; E117-V135 VanDerWaalsContact CG-N 3.35Å; E117-V135 PolarHBondContact OE1-N 2.84Å; L120-V135 HydrophobicContact CD1-CG2 3.3Å; V135-K137 HydrophobicContact CG1-CG 4.2Å; V135-K137 PolarHBondContact O-N 3.23Å
136K79.1Confident74.7Confident41 Ų4172.1 Ų72.118%0.17838%0.378CS..EExtended strand (participates in β ladder)trans-79.8115.1176.1-68.6-55.7-165.7-172.40109.6K145 F147 F149K136-K145 PolarHBondContact O-N 3.48Å; K136-F147 HydrophobicContact CB-CD2 4.07Å; K136-F147 HydrophobicContact CB-CE1 4.36Å; K136-F147 HydrophobicContact CB-CE2 3.57Å; K136-F147 HydrophobicContact CB-CZ 3.73Å; K136-F147 HydrophobicContact CG-CD2 4.13Å; K136-F147 HydrophobicContact CG-CE2 3.51Å; K136-F147 HydrophobicContact CG-CZ 4.05Å; K136-F147 PolarHBondContact N-O 3.34Å; K136-F147 VanDerWaalsContact N-O 3.07Å; K136-F149 HydrophobicContact CD-CE2 4.45Å; K136-F149 HydrophobicContact CG-CD2 4.14Å; K136-F149 HydrophobicContact CG-CE2 3.84Å
137K77.6Confident74.7Confident94 Ų9467.7 Ų67.741%0.40935%0.35SS..EExtended strand (participates in β ladder)trans-107.5149.3172.9-54.6-177.1-178.7178.20109.4V135 H143V135-K137 HydrophobicContact CG1-CG 4.2Å; V135-K137 PolarHBondContact O-N 3.23Å; K137-H143 CarbonylContact C-O 3.58Å; K137-H143 WeakPolarHBondContact CA-O 3.45Å
138D70.2Confident74.9Confident52 Ų5265.3 Ų65.328%0.27834%0.34SS..  trans-70.1128.6173.4-161.1-60.4000109.5K140 G142 H143 K145D138-K140 PolarHBondContact O-N 3.35Å; D138-K140 PolarHBondContact OD1-N 2.8Å; D138-G142 WeakPolarHBondContact O-CA 3.44Å; D138-G142 PolarHBondContact O-N 3.33Å; D138-H143 PolarHBondContact N-O 3.25Å; D138-K145 HydrophobicContact CB-CG 4.38Å; D138-K145 WeakPolarHBondContact OD2-CE 3.14Å
139L60.5Low75.2Confident176 Ų17666 Ų6692%0.92134%0.337SS*.THydrogen-bonded Turntrans-70.6-22-177.2-79.479.4000112.5
140K63Low75.6Confident198 Ų19859.7 Ų59.786%0.86131%0.308SS*.THydrogen-bonded Turntrans-86.2-36-177.4-66.5-177178179.40112.6D138D138-K140 PolarHBondContact O-N 3.35Å; D138-K140 PolarHBondContact OD1-N 2.8Å
141T69.4Low75.6Confident85 Ų8561 Ų6152%0.52131%0.311SS..THydrogen-bonded Turntrans-109.8-13.3-176.261.70000113.1H143T141-H143 PolarHBondContact O-CD2 3.02Å; T141-H143 PolarHBondContact O-N 3.09Å; T141-H143 VanDerWaalsContact O-N 3.15Å; T141-H143 PolarHBondContact OG1-N 2.98Å
142G65.1Low76Confident50 Ų5056.2 Ų56.252%0.51529%0.286SS..  trans69.70.1-172.500000113.8D138D138-G142 WeakPolarHBondContact O-CA 3.44Å; D138-G142 PolarHBondContact O-N 3.33Å
143H68.9Low76.1Confident137 Ų13755.5 Ų55.563%0.63429%0.285SS*.  trans-80.5137.8-176.8-68.5-166.6000110.6K137 D138 T141 K145K137-H143 CarbonylContact C-O 3.58Å; K137-H143 WeakPolarHBondContact CA-O 3.45Å; D138-H143 PolarHBondContact N-O 3.25Å; T141-H143 PolarHBondContact O-CD2 3.02Å; T141-H143 PolarHBondContact O-N 3.09Å; T141-H143 VanDerWaalsContact O-N 3.15Å; T141-H143 PolarHBondContact OG1-N 2.98Å; H143-K145 PolarHBondContact O-N 3.41Å
144S75.2Confident75.7Confident12 Ų1258.2 Ų58.28%0.08430%0.296CS..EExtended strand (participates in β ladder)trans-59.8134.2175.8-59.20000111W113 G146W113-S144 PolarHBondContact NE1-O 2.88Å; W113-S144 WeakPolarHBondContact O-CB 3.18Å; W113-S144 PolarHBondContact O-OG 3.05Å; S144-G146 PolarHBondContact O-N 3Å
145K71.4Confident75.4Confident104 Ų10462 Ų6245%0.45231%0.31SS..EExtended strand (participates in β ladder)trans-77.12.8176.3-67.5-167.2172.2-172.70113.4K136 D138 H143 F147K136-K145 PolarHBondContact O-N 3.48Å; D138-K145 HydrophobicContact CB-CG 4.38Å; D138-K145 WeakPolarHBondContact OD2-CE 3.14Å; H143-K145 PolarHBondContact O-N 3.41Å; K145-F147 VanDerWaalsContact C-N 3.31Å; K145-F147 HydrophobicContact CB-CD1 3.61Å; K145-F147 HydrophobicContact CB-CE1 3.35Å; K145-F147 HydrophobicContact CB-CZ 4.31Å; K145-F147 HydrophobicContact CD-CE1 3.78Å; K145-F147 HydrophobicContact CD-CZ 4.19Å; K145-F147 HydrophobicContact CG-CE1 4.19Å
146G77.9Confident75Confident12 Ų1269.2 Ų69.212%0.12434%0.343CS..EExtended strand (participates in β ladder)trans7519.7-178.900000113.8G110 L111 S144G110-G146 PolarHBondContact N-O 2.83Å; L111-G146 PolarHBondContact N-O 2.95Å; L111-G146 VanDerWaalsContact O-CA 3.31Å; L111-G146 WeakPolarHBondContact O-CA 3.28Å; S144-G146 PolarHBondContact O-N 3Å
147F83.3Confident74.9Confident13 Ų1367.8 Ų67.86%0.05734%0.338CS..EExtended strand (participates in β ladder)trans-145.3157.4172.371.8-88.9000112.2I107 V108 L109 K136 K145 F149 L186I107-F147 HydrophobicContact CD1-CD2 4.13Å; V108-F147 CarbonylContact O-C 3.57Å; V108-F147 WeakPolarHBondContact O-CA 3.09Å; V108-F147 WeakPolarHBondContact O-CB 3.15Å; L109-F147 HydrophobicContact CD2-CB 3.96Å; K136-F147 HydrophobicContact CB-CD2 4.07Å; K136-F147 HydrophobicContact CB-CE1 4.36Å; K136-F147 HydrophobicContact CB-CE2 3.57Å; K136-F147 HydrophobicContact CB-CZ 3.73Å; K136-F147 HydrophobicContact CG-CD2 4.13Å; K136-F147 HydrophobicContact CG-CE2 3.51Å; K136-F147 HydrophobicContact CG-CZ 4.05Å; K136-F147 PolarHBondContact N-O 3.34Å; K136-F147 VanDerWaalsContact N-O 3.07Å; K145-F147 VanDerWaalsContact C-N 3.31Å; K145-F147 HydrophobicContact CB-CD1 3.61Å; K145-F147 HydrophobicContact CB-CE1 3.35Å; K145-F147 HydrophobicContact CB-CZ 4.31Å; K145-F147 HydrophobicContact CD-CE1 3.78Å; K145-F147 HydrophobicContact CD-CZ 4.19Å; K145-F147 HydrophobicContact CG-CE1 4.19Å; F147-F149 HydrophobicContact CD2-CE2 4.31Å; F147-F149 HydrophobicContact CE2-CE2 4.08Å; F147-F149 HydrophobicContact CE2-CZ 4.46Å; F147-L186 HydrophobicContact CE1-CD2 4.4Å; F147-L186 HydrophobicContact CE2-CB 4.2Å; F147-L186 HydrophobicContact CZ-CB 3.96Å
148G85.1Confident75.1Confident0 Ų063.4 Ų63.40%032%0.319CS..EExtended strand (participates in β ladder)trans-153.2174.9-17900000111.6I107 V108 Q134I107-G148 CarbonylContact C-O 3.53Å; I107-G148 WeakPolarHBondContact CA-O 3.29Å; V108-G148 PolarHBondContact N-O 3.29Å; V108-G148 PolarHBondContact O-N 3.4Å; Q134-G148 CarbonylContact O-C 3.4Å; Q134-G148 WeakPolarHBondContact O-CA 3.39Å
149F84.9Confident75.4Confident32 Ų3264.2 Ų64.214%0.1433%0.325CS..EExtended strand (participates in β ladder)trans-119.9141.7177.9-64.1-85.2000110L106 I107 V133 Q134 K136 F147 P178L106-F149 CarbonylContact O-C 3.53Å; L106-F149 WeakPolarHBondContact O-CA 3.25Å; I107-F149 HydrophobicContact CB-CD1 4.14Å; I107-F149 HydrophobicContact CB-CE1 3.93Å; I107-F149 HydrophobicContact CD1-CE1 4.06Å; I107-F149 HydrophobicContact CD1-CZ 4.07Å; I107-F149 HydrophobicContact CG1-CD1 4.41Å; I107-F149 HydrophobicContact CG1-CE1 4.03Å; I107-F149 HydrophobicContact CG1-CZ 4.37Å; V133-F149 CarbonylContact C-O 3.56Å; V133-F149 WeakPolarHBondContact CA-O 3.5Å; Q134-F149 PolarHBondContact N-O 3.19Å; Q134-F149 PolarHBondContact O-N 3.15Å; K136-F149 HydrophobicContact CD-CE2 4.45Å; K136-F149 HydrophobicContact CG-CD2 4.14Å; K136-F149 HydrophobicContact CG-CE2 3.84Å; F147-F149 HydrophobicContact CD2-CE2 4.31Å; F147-F149 HydrophobicContact CE2-CE2 4.08Å; F147-F149 HydrophobicContact CE2-CZ 4.46Å; F149-P178 HydrophobicContact CE1-CB 4.35Å; F149-P178 HydrophobicContact CE1-CG 4.39Å
150V84.4Confident76.4Confident2 Ų262 Ų621%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-135.7136.1175.4630000110.1L106 V108 F124 V130 M132 V133 F152L106-V150 HydrophobicContact CB-CG1 3.79Å; L106-V150 HydrophobicContact CD1-CG1 4.45Å; L106-V150 PolarHBondContact N-O 3.41Å; L106-V150 PolarHBondContact O-N 3.15Å; V108-V150 HydrophobicContact CG2-CB 4.4Å; V108-V150 HydrophobicContact CG2-CG1 3.68Å; F124-V150 HydrophobicContact CB-CG2 4.45Å; F124-V150 HydrophobicContact CD2-CB 4.38Å; F124-V150 HydrophobicContact CD2-CG1 4.45Å; F124-V150 HydrophobicContact CD2-CG2 4.03Å; F124-V150 HydrophobicContact CE2-CG1 4.28Å; F124-V150 HydrophobicContact CG-CG2 4.32Å; V130-V150 HydrophobicContact CG1-CG2 3.66Å; M132-V150 CarbonylContact O-C 3.48Å; M132-V150 WeakPolarHBondContact O-CA 3.48Å; V133-V150 HydrophobicContact CG2-CG2 4.14Å; V150-F152 HydrophobicContact CB-CE2 4.49Å; V150-F152 HydrophobicContact CG1-CE2 3.85Å; V150-F152 HydrophobicContact CG2-CD2 4.34Å; V150-F152 HydrophobicContact CG2-CE2 3.79Å; V150-F152 HydrophobicContact CG2-CZ 3.97Å
151R80.6Confident77.4Confident44 Ų4452.6 Ų52.617%0.16627%0.267CS..EExtended strand (participates in β ladder)trans-119.5126.9174.7-174.5-176.8-68.8-179.1-0.2109D105 V130 L131 M132D105-R151 IonicContact OD1-CZ 3.92Å; D105-R151 IonicContact OD1-NE 3.08Å; D105-R151 PolarHBondContact OD1-NE 2.92Å; D105-R151 IonicContact OD1-NH2 3.64Å; D105-R151 PolarHBondContact OD1-NH2 3.46Å; D105-R151 IonicContact OD2-CZ 3.51Å; D105-R151 IonicContact OD2-NH2 3.22Å; D105-R151 PolarHBondContact OD2-NH2 3.47Å; V130-R151 CarbonylContact C-O 3.56Å; V130-R151 WeakPolarHBondContact CG1-O 3.4Å; L131-R151 HydrophobicContact CB-CB 4.28Å; L131-R151 HydrophobicContact CB-CG 4.11Å; L131-R151 HydrophobicContact CD1-CG 4.07Å; L131-R151 PolarHBondContact N-O 2.64Å; M132-R151 HydrophobicContact CB-CB 4.15Å; M132-R151 PolarHBondContact N-O 2.98Å; M132-R151 PolarHBondContact O-N 2.81Å
152F81.4Confident78Confident1 Ų151.8 Ų51.80%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-96.8160.8175.4-70.2-84.2000111.3T103 L106 F124 V130 L131 V150 T157 V161T103-F152 WeakPolarHBondContact CB-O 3.32Å; T103-F152 VanDerWaalsContact CG2-O 3.24Å; T103-F152 WeakPolarHBondContact CG2-O 3.38Å; T103-F152 PolarHBondContact OG1-O 2.76Å; L106-F152 HydrophobicContact CD1-CD2 4.2Å; L106-F152 HydrophobicContact CD1-CE2 4.01Å; F124-F152 HydrophobicContact CB-CE1 3.93Å; F124-F152 HydrophobicContact CB-CZ 3.72Å; F124-F152 AromaticContact CD1-CZ 3.73Å; F124-F152 HydrophobicContact CD1-CZ 3.73Å; F124-F152 AromaticContact CG-CZ 3.86Å; F124-F152 HydrophobicContact CG-CZ 3.86Å; V130-F152 HydrophobicContact CG2-CD1 4.06Å; V130-F152 HydrophobicContact CG2-CE1 3.71Å; V130-F152 HydrophobicContact CG2-CZ 4.46Å; L131-F152 WeakPolarHBondContact CD1-O 3.49Å; V150-F152 HydrophobicContact CB-CE2 4.49Å; V150-F152 HydrophobicContact CG1-CE2 3.85Å; V150-F152 HydrophobicContact CG2-CD2 4.34Å; V150-F152 HydrophobicContact CG2-CE2 3.79Å; V150-F152 HydrophobicContact CG2-CZ 3.97Å; F152-T157 HydrophobicContact CD1-CG2 3.52Å; F152-T157 HydrophobicContact CE1-CG2 3.77Å; F152-T157 HydrophobicContact CG-CG2 4.07Å; F152-V161 HydrophobicContact CE1-CG2 4.44Å; F152-V161 HydrophobicContact CE2-CB 4.35Å; F152-V161 HydrophobicContact CE2-CG1 4.11Å; F152-V161 HydrophobicContact CE2-CG2 4.19Å; F152-V161 HydrophobicContact CZ-CB 4.45Å; F152-V161 HydrophobicContact CZ-CG1 4.26Å; F152-V161 HydrophobicContact CZ-CG2 3.84Å
153T74.2Confident78.8Confident42 Ų4254.5 Ų54.526%0.25827%0.27SS..SBendtrans-75.8-34.5168.9530000112.4T103 E129 L131T103-T153 VanDerWaalsContact CG2-O 3.3Å; T103-T153 WeakPolarHBondContact CG2-O 3.31Å; E129-T153 HydrophobicContact CB-CG2 3.97Å; E129-T153 WeakPolarHBondContact CB-OG1 2.83Å; E129-T153 HydrophobicContact CG-CG2 3.68Å; E129-T153 PolarHBondContact O-N 3.33Å; E129-T153 PolarHBondContact O-OG1 3.26Å; L131-T153 HydrophobicContact CD1-CG2 4.22Å; L131-T153 HydrophobicContact CD2-CG2 3.52Å; L131-T153 HydrophobicContact CG-CG2 3.52Å
154E73.6Confident79.2Confident78 Ų7851.1 Ų51.136%0.36425%0.254SS..  trans-110.3132.5-174.5-66.3-172.1161.200112.2R98 T157 Q158R98-E154 IonicContact NH1-OE1 2.91Å; R98-E154 PolarHBondContact NH1-OE1 2.84Å; E154-T157 PolarHBondContact O-N 2.94Å; E154-Q158 PolarHBondContact O-N 3.24Å
155Y73.6Confident79.4Confident120 Ų12057 Ų5747%0.47127%0.274SS..Hα-helixtrans-67.5-34.2177-179.9-103.3000112.5T157 Q158 V159Y155-T157 PolarHBondContact O-N 2.88Å; Y155-Q158 WeakPolarHBondContact O-CA 3.21Å; Y155-Q158 VanDerWaalsContact O-CB 3.24Å; Y155-Q158 WeakPolarHBondContact O-CB 3.29Å; Y155-Q158 PolarHBondContact O-N 2.9Å; Y155-Q158 VanDerWaalsContact O-N 3.14Å; Y155-V159 HydrophobicContact CD1-CG2 4.06Å; Y155-V159 HydrophobicContact CE1-CG2 3.55Å; Y155-V159 HydrophobicContact CE2-CG2 4.19Å; Y155-V159 WeakPolarHBondContact O-CG2 3.25Å; Y155-V159 PolarHBondContact O-N 3.11Å
156E75.1Confident80Confident160 Ų16052 Ų5275%0.74825%0.253SS*.Hα-helixtrans-62.4-44.1177.9-64.1-176.5175.700111.4Q158 V159 K160E156-Q158 VanDerWaalsContact C-N 3.29Å; E156-Q158 PolarHBondContact O-N 2.86Å; E156-V159 PolarHBondContact O-N 3.1Å; E156-K160 WeakPolarHBondContact O-CB 3.46Å; E156-K160 PolarHBondContact O-N 2.95Å
157T78.4Confident80.2Confident11 Ų1155.2 Ų55.27%0.06727%0.266CS..Hα-helixtrans-58.4-42.9172.5-60.70000111.1F127 F152 E154 Y155 V159 K160 V161F127-T157 HydrophobicContact CB-CG2 4.07Å; F127-T157 WeakPolarHBondContact O-CG2 3.47Å; F152-T157 HydrophobicContact CD1-CG2 3.52Å; F152-T157 HydrophobicContact CE1-CG2 3.77Å; F152-T157 HydrophobicContact CG-CG2 4.07Å; E154-T157 PolarHBondContact O-N 2.94Å; Y155-T157 PolarHBondContact O-N 2.88Å; T157-V159 PolarHBondContact O-N 3.01Å; T157-K160 PolarHBondContact O-N 2.91Å; T157-V161 HydrophobicContact CG2-CG2 4.33Å; T157-V161 WeakPolarHBondContact O-CB 3.45Å; T157-V161 VanDerWaalsContact O-CG2 3.25Å; T157-V161 WeakPolarHBondContact O-CG2 3.41Å; T157-V161 PolarHBondContact O-N 2.93Å
158Q79.9Confident80.3Confident3 Ų354.9 Ų54.91%0.01426%0.264CS..Hα-helixtrans-58.2-48.7176.8-167.4-172.8-22.800112S104 L106 E154 Y155 E156 K160 V161 M162S104-Q158 VanDerWaalsContact N-OE1 3.08Å; S104-Q158 PolarHBondContact O-NE2 3.41Å; S104-Q158 PolarHBondContact O-OE1 3.45Å; L106-Q158 HydrophobicContact CD1-CG 3.53Å; L106-Q158 HydrophobicContact CD2-CG 3.73Å; L106-Q158 VanDerWaalsContact CD2-NE2 3.28Å; L106-Q158 HydrophobicContact CG-CG 3.62Å; E154-Q158 PolarHBondContact O-N 3.24Å; Y155-Q158 WeakPolarHBondContact O-CA 3.21Å; Y155-Q158 VanDerWaalsContact O-CB 3.24Å; Y155-Q158 WeakPolarHBondContact O-CB 3.29Å; Y155-Q158 PolarHBondContact O-N 2.9Å; Y155-Q158 VanDerWaalsContact O-N 3.14Å; E156-Q158 VanDerWaalsContact C-N 3.29Å; E156-Q158 PolarHBondContact O-N 2.86Å; Q158-K160 PolarHBondContact O-N 3.03Å; Q158-V161 PolarHBondContact O-N 3.21Å; Q158-M162 WeakPolarHBondContact O-CG 3.4Å; Q158-M162 PolarHBondContact O-N 2.95Å
159V76.8Confident80Confident68 Ų6858.3 Ų58.341%0.41228%0.283SS..Hα-helixtrans-63.4-42179.1175.40000111Y155 E156 T157 M162 S163Y155-V159 HydrophobicContact CD1-CG2 4.06Å; Y155-V159 HydrophobicContact CE1-CG2 3.55Å; Y155-V159 HydrophobicContact CE2-CG2 4.19Å; Y155-V159 WeakPolarHBondContact O-CG2 3.25Å; Y155-V159 PolarHBondContact O-N 3.11Å; E156-V159 PolarHBondContact O-N 3.1Å; T157-V159 PolarHBondContact O-N 3.01Å; V159-M162 PolarHBondContact O-N 2.84Å; V159-S163 WeakPolarHBondContact O-CB 3.27Å; V159-S163 PolarHBondContact O-N 3.08Å
160K82.4Confident79.6Confident131 Ų13160.1 Ų60.157%0.5731%0.31SS*.Hα-helixtrans-62.3-44.4177.3-170.7177.5-178-178.70111.9E156 T157 Q158 M162 S163 Q164E156-K160 WeakPolarHBondContact O-CB 3.46Å; E156-K160 PolarHBondContact O-N 2.95Å; T157-K160 PolarHBondContact O-N 2.91Å; Q158-K160 PolarHBondContact O-N 3.03Å; K160-M162 VanDerWaalsContact C-N 3.35Å; K160-S163 PolarHBondContact O-N 2.86Å; K160-Q164 WeakPolarHBondContact O-CG 3.29Å; K160-Q164 PolarHBondContact O-N 2.76Å; K160-Q164 PolarHBondContact O-NE2 2.76Å
161V84.8Confident79.4Confident0 Ų066.1 Ų66.10%033%0.332CS..Hα-helixtrans-64.1-38.5176.2168.60000111.3L106 F124 F127 F152 T157 Q158 S163 Q164 H166 C175L106-V161 HydrophobicContact CD1-CG1 4.08Å; F124-V161 HydrophobicContact CD1-CG1 4.17Å; F124-V161 HydrophobicContact CE1-CG1 3.78Å; F127-V161 HydrophobicContact CB-CG2 3.88Å; F127-V161 HydrophobicContact CD2-CG2 4.46Å; F127-V161 HydrophobicContact CG-CG2 4.03Å; F152-V161 HydrophobicContact CE1-CG2 4.44Å; F152-V161 HydrophobicContact CE2-CB 4.35Å; F152-V161 HydrophobicContact CE2-CG1 4.11Å; F152-V161 HydrophobicContact CE2-CG2 4.19Å; F152-V161 HydrophobicContact CZ-CB 4.45Å; F152-V161 HydrophobicContact CZ-CG1 4.26Å; F152-V161 HydrophobicContact CZ-CG2 3.84Å; T157-V161 HydrophobicContact CG2-CG2 4.33Å; T157-V161 WeakPolarHBondContact O-CB 3.45Å; T157-V161 VanDerWaalsContact O-CG2 3.25Å; T157-V161 WeakPolarHBondContact O-CG2 3.41Å; T157-V161 PolarHBondContact O-N 2.93Å; Q158-V161 PolarHBondContact O-N 3.21Å; V161-S163 VanDerWaalsContact C-N 3.35Å; V161-Q164 VanDerWaalsContact O-O 3.13Å; V161-H166 WeakPolarHBondContact CG1-NE2 3.35Å; V161-H166 PolarHBondContact O-NE2 2.74Å; V161-C175 HydrophobicContact CG1-CB 3.89Å
162M81.9Confident79.6Confident67 Ų6770.7 Ų70.733%0.3335%0.35SS..Hα-helixtrans-69.2-30.5175.8-73.5179.965.400113.9L106 Q158 V159 K160 Q164 L177L106-M162 HydrophobicContact CD1-CG 3.99Å; L106-M162 HydrophobicContact CD2-CG 3.58Å; L106-M162 HydrophobicContact CD2-SD 3.46Å; L106-M162 WeakPolarHBondContact CD2-SD 3.38Å; L106-M162 HydrophobicContact CG-CG 4.46Å; Q158-M162 WeakPolarHBondContact O-CG 3.4Å; Q158-M162 PolarHBondContact O-N 2.95Å; V159-M162 PolarHBondContact O-N 2.84Å; K160-M162 VanDerWaalsContact C-N 3.35Å; M162-Q164 VanDerWaalsContact C-N 3.31Å; M162-L177 HydrophobicContact CE-CB 4.27Å; M162-L177 HydrophobicContact CE-CD1 3.89Å; M162-L177 HydrophobicContact CE-CG 3.67Å; M162-L177 HydrophobicContact SD-CD1 4.2Å; M162-L177 HydrophobicContact SD-CD2 4.5Å; M162-L177 HydrophobicContact SD-CG 3.82Å
163S80.1Confident79.7Confident108 Ų10870.6 Ų70.676%0.75535%0.349SS*.Hα-helixtrans-80-12-176.4-169.10000113.8V159 K160 V161V159-S163 WeakPolarHBondContact O-CB 3.27Å; V159-S163 PolarHBondContact O-N 3.08Å; K160-S163 PolarHBondContact O-N 2.86Å; V161-S163 VanDerWaalsContact C-N 3.35Å
164Q77.7Confident80Confident66 Ų6671.1 Ų71.131%0.30835%0.351SS..SBendtrans-120.5151.1-17771-171.4-33.500111.5K160 V161 M162 H166K160-Q164 WeakPolarHBondContact O-CG 3.29Å; K160-Q164 PolarHBondContact O-N 2.76Å; K160-Q164 PolarHBondContact O-NE2 2.76Å; V161-Q164 VanDerWaalsContact O-O 3.13Å; M162-Q164 VanDerWaalsContact C-N 3.31Å; Q164-H166 WeakPolarHBondContact CG-CE1 3.41Å; Q164-H166 WeakPolarHBondContact CG-NE2 3.36Å; Q164-H166 PolarHBondContact NE2-CE1 2.98Å; Q164-H166 PolarHBondContact O-CD2 2.76Å; Q164-H166 PolarHBondContact O-NE2 2.67Å
165R79.4Confident80.5Confident135 Ų13567.7 Ų67.751%0.50934%0.335SS..  trans-84.8143.8169.5-58.5-168.479-158.21109.6W172 D174R165-W172 HydrophobicContact CB-CE3 3.76Å; R165-W172 HydrophobicContact CB-CZ3 3.94Å; R165-D174 IonicContact CZ-OD1 3.94Å; R165-D174 IonicContact CZ-OD2 3.65Å; R165-D174 IonicContact NE-OD1 2.84Å; R165-D174 PolarHBondContact NE-OD1 3.43Å; R165-D174 VanDerWaalsContact NE-OD1 3.08Å; R165-D174 IonicContact NE-OD2 3.15Å; R165-D174 IonicContact NH2-OD1 2.64Å; R165-D174 IonicContact NH2-OD2 3.88Å; R165-D174 PolarHBondContact NH2-OD2 2.79Å
166H83.9Confident80.8Confident0 Ų067.5 Ų67.50%034%0.336CS..EExtended strand (participates in β ladder)trans-110.2132-175.3-64.1-79.5000110.3Y123 F127 V161 Q164 I168 W172 C173 C175Y123-H166 HydrophobicContact CE1-CB 3.74Å; Y123-H166 AromaticContact CE1-CG 3.83Å; Y123-H166 AromaticContact CE1-ND1 3.37Å; Y123-H166 WeakPolarHBondContact CE1-ND1 3.47Å; Y123-H166 AromaticContact CZ-ND1 3.73Å; Y123-H166 WeakPolarHBondContact OH-CA 3.22Å; Y123-H166 WeakPolarHBondContact OH-CB 3.37Å; Y123-H166 PolarHBondContact OH-ND1 2.82Å; Y123-H166 VanDerWaalsContact OH-ND1 3.15Å; F127-H166 AromaticContact CE2-ND1 3.84Å; F127-H166 AromaticContact CZ-CE1 3.96Å; F127-H166 AromaticContact CZ-ND1 3.8Å; V161-H166 WeakPolarHBondContact CG1-NE2 3.35Å; V161-H166 PolarHBondContact O-NE2 2.74Å; Q164-H166 WeakPolarHBondContact CG-CE1 3.41Å; Q164-H166 WeakPolarHBondContact CG-NE2 3.36Å; Q164-H166 PolarHBondContact NE2-CE1 2.98Å; Q164-H166 PolarHBondContact O-CD2 2.76Å; Q164-H166 PolarHBondContact O-NE2 2.67Å; H166-I168 HydrophobicContact CB-CD1 4.24Å; H166-I168 HydrophobicContact CB-CG1 4.11Å; H166-W172 CarbonylContact O-C 3.57Å; H166-W172 WeakPolarHBondContact O-CA 3.49Å; H166-C173 HydrophobicContact CB-CB 4.37Å; H166-C173 PolarHBondContact N-O 2.61Å; H166-C173 PolarHBondContact O-N 2.94Å; H166-C175 PolarHBondContact CD2-SG 3.05Å
167M83.4Confident80.9Confident79 Ų7964 Ų6439%0.38932%0.323SS..EExtended strand (participates in β ladder)trans-98.1100173.9-178.167.378.100108.2Y123 R171 W172Y123-M167 WeakPolarHBondContact CE2-O 3.48Å; Y123-M167 PolarHBondContact OH-N 2.93Å; M167-R171 VanDerWaalsContact SD-C 3.56Å; M167-R171 PolarHBondContact SD-N 2.98Å; M167-W172 HydrophobicContact CB-CE3 4.44Å; M167-W172 HydrophobicContact CB-CZ3 4.37Å; M167-W172 HydrophobicContact CE-CD2 3.57Å; M167-W172 HydrophobicContact CE-CE3 4.15Å; M167-W172 HydrophobicContact CE-CG 4Å; M167-W172 HydrophobicContact CE-CH2 4.05Å; M167-W172 HydrophobicContact CE-CZ2 3.44Å; M167-W172 VanDerWaalsContact CE-CZ2 3.44Å; M167-W172 HydrophobicContact CE-CZ3 4.37Å; M167-W172 VanDerWaalsContact CE-NE1 3.33Å; M167-W172 HydrophobicContact SD-CD2 4.36Å; M167-W172 HydrophobicContact SD-CG 4.47Å
168I84Confident80.3Confident5 Ų565.1 Ų65.13%0.02633%0.33CS..EExtended strand (participates in β ladder)trans-111120.8-178.6-52.1-178000107.2L111 T115 L120 Y123 F124 H166 G170 R171 C173L111-I168 HydrophobicContact CD2-CD1 4.07Å; T115-I168 HydrophobicContact CG2-CG2 3.98Å; L120-I168 HydrophobicContact CD2-CD1 3.53Å; L120-I168 HydrophobicContact CD2-CG2 4.44Å; Y123-I168 HydrophobicContact CD1-CD1 3.82Å; Y123-I168 HydrophobicContact CD1-CG1 3.92Å; Y123-I168 HydrophobicContact CD2-CG1 4.36Å; Y123-I168 HydrophobicContact CE1-CD1 3.98Å; Y123-I168 HydrophobicContact CE1-CG1 3.86Å; Y123-I168 HydrophobicContact CE2-CG1 4.29Å; Y123-I168 HydrophobicContact CG-CD1 4.4Å; Y123-I168 HydrophobicContact CG-CG1 4.19Å; F124-I168 HydrophobicContact CE2-CD1 4.27Å; F124-I168 HydrophobicContact CZ-CD1 4.05Å; H166-I168 HydrophobicContact CB-CD1 4.24Å; H166-I168 HydrophobicContact CB-CG1 4.11Å; I168-G170 PolarHBondContact O-N 2.89Å; I168-R171 PolarHBondContact N-O 3.19Å; I168-R171 PolarHBondContact O-N 3.26Å; I168-C173 HydrophobicContact CD1-CB 4.22Å; I168-C173 HydrophobicContact CG1-CB 4.41Å
169D78.8Confident79.5Confident73 Ų7369.2 Ų69.239%0.3935%0.352SS..THydrogen-bonded Turntrans60.922.6171.4-106.7-40.3000114.8P112 K114 T115P112-D169 HydrophobicContact CB-CB 4.36Å; P112-D169 HydrophobicContact CG-CB 3.61Å; K114-D169 VanDerWaalsContact CE-CG 3.48Å; K114-D169 WeakPolarHBondContact CE-OD1 3.48Å; K114-D169 VanDerWaalsContact NZ-CG 3.33Å; K114-D169 PolarHBondContact NZ-O 2.79Å; K114-D169 VanDerWaalsContact NZ-O 3.14Å; K114-D169 IonicContact NZ-OD1 2.74Å; K114-D169 PolarHBondContact NZ-OD1 3.49Å; T115-D169 PolarHBondContact OG1-OD2 3.29Å
170G77.6Confident78.5Confident69 Ų6969.5 Ų69.571%0.71136%0.357SS*.THydrogen-bonded Turntrans89.49.7-17600000114.8I168I168-G170 PolarHBondContact O-N 2.89Å
171R80.1Confident77.1Confident129 Ų12971.2 Ų71.249%0.48736%0.364SS..EExtended strand (participates in β ladder)trans-122.7134.3177.3-165.3167.4-175.7150.43.9111.6G110 P112 M167 I168 C173G110-R171 WeakPolarHBondContact O-CD 3.37Å; G110-R171 WeakPolarHBondContact O-CG 3.28Å; G110-R171 PolarHBondContact O-NE 3.2Å; P112-R171 HydrophobicContact CG-CB 3.83Å; M167-R171 VanDerWaalsContact SD-C 3.56Å; M167-R171 PolarHBondContact SD-N 2.98Å; I168-R171 PolarHBondContact N-O 3.19Å; I168-R171 PolarHBondContact O-N 3.26Å; R171-C173 PolarHBondContact O-N 3.05Å; R171-C173 PolarHBondContact O-SG 3.28Å; R171-C173 VanDerWaalsContact O-SG 3.37Å
172W84.3Confident75.7Confident139 Ų13973.7 Ų73.753%0.52738%0.38SS..EExtended strand (participates in β ladder)trans-68.5124.5170.6-70107.1000110.7R165 H166 M167R165-W172 HydrophobicContact CB-CE3 3.76Å; R165-W172 HydrophobicContact CB-CZ3 3.94Å; H166-W172 CarbonylContact O-C 3.57Å; H166-W172 WeakPolarHBondContact O-CA 3.49Å; M167-W172 HydrophobicContact CB-CE3 4.44Å; M167-W172 HydrophobicContact CB-CZ3 4.37Å; M167-W172 HydrophobicContact CE-CD2 3.57Å; M167-W172 HydrophobicContact CE-CE3 4.15Å; M167-W172 HydrophobicContact CE-CG 4Å; M167-W172 HydrophobicContact CE-CH2 4.05Å; M167-W172 HydrophobicContact CE-CZ2 3.44Å; M167-W172 VanDerWaalsContact CE-CZ2 3.44Å; M167-W172 HydrophobicContact CE-CZ3 4.37Å; M167-W172 VanDerWaalsContact CE-NE1 3.33Å; M167-W172 HydrophobicContact SD-CD2 4.36Å; M167-W172 HydrophobicContact SD-CG 4.47Å
173C84.6Confident74.4Confident0 Ų071 Ų710%037%0.368CS..EExtended strand (participates in β ladder)trans-119.6146-179.6-57.50000109.8V108 L109 G110 H166 I168 R171V108-C173 HydrophobicContact CG1-CB 4.21Å; L109-C173 WeakPolarHBondContact O-CA 3.33Å; G110-C173 PolarHBondContact O-SG 2.64Å; H166-C173 HydrophobicContact CB-CB 4.37Å; H166-C173 PolarHBondContact N-O 2.61Å; H166-C173 PolarHBondContact O-N 2.94Å; I168-C173 HydrophobicContact CD1-CB 4.22Å; I168-C173 HydrophobicContact CG1-CB 4.41Å; R171-C173 PolarHBondContact O-N 3.05Å; R171-C173 PolarHBondContact O-SG 3.28Å; R171-C173 VanDerWaalsContact O-SG 3.37Å
174D80.5Confident73.3Confident53 Ų5370.3 Ų70.328%0.28335%0.353SS..EExtended strand (participates in β ladder)trans-119.3128.3-177.8-71.2-77.7000109.8L109 R165L109-D174 PolarHBondContact N-O 2.82Å; L109-D174 PolarHBondContact O-N 2.94Å; R165-D174 IonicContact CZ-OD1 3.94Å; R165-D174 IonicContact CZ-OD2 3.65Å; R165-D174 IonicContact NE-OD1 2.84Å; R165-D174 PolarHBondContact NE-OD1 3.43Å; R165-D174 VanDerWaalsContact NE-OD1 3.08Å; R165-D174 IonicContact NE-OD2 3.15Å; R165-D174 IonicContact NH2-OD1 2.64Å; R165-D174 IonicContact NH2-OD2 3.88Å; R165-D174 PolarHBondContact NH2-OD2 2.79Å
175C82.6Confident72.2Confident5 Ų572.2 Ų72.23%0.03437%0.373CS..EExtended strand (participates in β ladder)trans-103.1123.9179.3-65.40000110.1I107 V161 H166I107-C175 WeakPolarHBondContact O-CA 3.31Å; V161-C175 HydrophobicContact CG1-CB 3.89Å; H166-C175 PolarHBondContact CD2-SG 3.05Å
176K79.7Confident71.2Confident116 Ų11668.5 Ų68.550%0.50436%0.363SS..EExtended strand (participates in β ladder)trans-136.4162.7-177.6-63.9-173.1-179.2-178.40111.5I107I107-K176 HydrophobicContact CG2-CB 4.31Å; I107-K176 VanDerWaalsContact CG2-O 3.3Å; I107-K176 WeakPolarHBondContact CG2-O 3.39Å; I107-K176 PolarHBondContact N-O 2.75Å; I107-K176 PolarHBondContact O-N 3.05Å
177L77.4Confident69.7Low87 Ų8770.1 Ų70.146%0.45537%0.374SS..  trans-73.9125.5165.4-76.5166000108.7L106 M162 N179L106-L177 HydrophobicContact CD2-CD2 3.94Å; L106-L177 HydrophobicContact CD2-CG 4.22Å; M162-L177 HydrophobicContact CE-CB 4.27Å; M162-L177 HydrophobicContact CE-CD1 3.89Å; M162-L177 HydrophobicContact CE-CG 3.67Å; M162-L177 HydrophobicContact SD-CD1 4.2Å; M162-L177 HydrophobicContact SD-CD2 4.5Å; M162-L177 HydrophobicContact SD-CG 3.82Å; L177-N179 PolarHBondContact O-N 2.82Å; L177-N179 VanDerWaalsContact O-N 3.11Å
178P66.7Low67.9Low35 Ų3568.3 Ų68.323%0.22738%0.376CS..  trans-67.3112.4174.225.9-28.4000107.8D105 I107 F149 A183D105-P178 WeakPolarHBondContact O-CD 2.88Å; D105-P178 VanDerWaalsContact O-CG 3.25Å; D105-P178 WeakPolarHBondContact O-CG 3.39Å; I107-P178 HydrophobicContact CB-CB 4.15Å; I107-P178 HydrophobicContact CB-CG 4.47Å; I107-P178 HydrophobicContact CG2-CB 3.93Å; I107-P178 HydrophobicContact CG2-CG 4.47Å; F149-P178 HydrophobicContact CE1-CB 4.35Å; F149-P178 HydrophobicContact CE1-CG 4.39Å; P178-A183 HydrophobicContact CB-CB 4.15Å
179N63.3Low66Low89 Ų8978 Ų7848%0.47642%0.421SS..  trans-70.4149.1168.773.643.1000108.6L177 K181 V182 A183L177-N179 PolarHBondContact O-N 2.82Å; L177-N179 VanDerWaalsContact O-N 3.11Å; N179-K181 PolarHBondContact O-N 2.76Å; N179-K181 PolarHBondContact OD1-N 3.08Å; N179-V182 VanDerWaalsContact ND2-CG2 3.28Å; N179-V182 WeakPolarHBondContact ND2-CG2 3.29Å; N179-V182 PolarHBondContact O-N 2.8Å; N179-V182 VanDerWaalsContact O-N 3.11Å; N179-V182 WeakPolarHBondContact OD1-CB 3.43Å; N179-V182 WeakPolarHBondContact OD1-CG2 3.42Å; N179-V182 PolarHBondContact OD1-N 2.69Å; N179-A183 PolarHBondContact O-N 2.91Å
180S55.5Low64.2Low74 Ų7481.6 Ų81.652%0.51744%0.44SS..Hα-helixtrans-54.5-29.7-174.5-171.60000113.1Q184S180-Q184 WeakPolarHBondContact O-CB 3.35Å; S180-Q184 WeakPolarHBondContact O-CG 3.37Å; S180-Q184 PolarHBondContact O-N 3.26Å; S180-Q184 PolarHBondContact OG-NE2 2.81Å
181K52.5Low62.6Low166 Ų16682.8 Ų82.872%0.72243%0.43SS*.Hα-helixtrans-77.5-43.4180-64.3-177179.1-178.10112.1N179 Q184 S185N179-K181 PolarHBondContact O-N 2.76Å; N179-K181 PolarHBondContact OD1-N 3.08Å; K181-Q184 PolarHBondContact O-N 3.27Å; K181-S185 PolarHBondContact O-N 3.44Å; K181-S185 PolarHBondContact O-OG 2.93Å; K181-S185 VanDerWaalsContact O-OG 3.06Å
182V55.5Low60.8Low53 Ų5379.5 Ų79.532%0.32142%0.422SS..Hα-helixtrans-68.3-41.2179167.70000110.3N179 S185 L186N179-V182 VanDerWaalsContact ND2-CG2 3.28Å; N179-V182 WeakPolarHBondContact ND2-CG2 3.29Å; N179-V182 PolarHBondContact O-N 2.8Å; N179-V182 VanDerWaalsContact O-N 3.11Å; N179-V182 WeakPolarHBondContact OD1-CB 3.43Å; N179-V182 WeakPolarHBondContact OD1-CG2 3.42Å; N179-V182 PolarHBondContact OD1-N 2.69Å; V182-S185 PolarHBondContact O-N 3.2Å; V182-L186 HydrophobicContact CG1-CD1 3.6Å; V182-L186 HydrophobicContact CG1-CG 4.34Å; V182-L186 WeakPolarHBondContact O-CB 3.46Å; V182-L186 VanDerWaalsContact O-CG 3.23Å; V182-L186 WeakPolarHBondContact O-CG 3.01Å; V182-L186 PolarHBondContact O-N 3.28Å
183A55.1Low58.5Low10 Ų1079.1 Ų79.18%0.08343%0.428CS..Hα-helixtrans-62.2-45.5174.100000110.8P178 N179 S185 L186 C187 I192P178-A183 HydrophobicContact CB-CB 4.15Å; N179-A183 PolarHBondContact O-N 2.91Å; A183-S185 PolarHBondContact O-N 3.09Å; A183-L186 PolarHBondContact O-N 3.42Å; A183-C187 VanDerWaalsContact O-CB 3.28Å; A183-C187 WeakPolarHBondContact O-CB 3.18Å; A183-C187 PolarHBondContact O-N 2.79Å; A183-C187 PolarHBondContact O-SG 3.21Å; A183-I192 HydrophobicContact CB-CD1 3.31Å
184Q55.8Low56.2Low93 Ų9388.4 Ų88.444%0.43547%0.469SS..Hα-helixtrans-60-45.3175.7-78.7165.36.600112.8S180 K181 L186 G188 I192S180-Q184 WeakPolarHBondContact O-CB 3.35Å; S180-Q184 WeakPolarHBondContact O-CG 3.37Å; S180-Q184 PolarHBondContact O-N 3.26Å; S180-Q184 PolarHBondContact OG-NE2 2.81Å; K181-Q184 PolarHBondContact O-N 3.27Å; Q184-L186 VanDerWaalsContact C-N 3.35Å; Q184-L186 PolarHBondContact O-N 3.22Å; Q184-G188 PolarHBondContact O-N 2.84Å; Q184-I192 HydrophobicContact CG-CB 4.18Å; Q184-I192 HydrophobicContact CG-CD1 4.1Å; Q184-I192 HydrophobicContact CG-CG1 4.48Å; Q184-I192 HydrophobicContact CG-CG2 4.42Å
185S55.4Low54.3Low106 Ų10690 Ų9074%0.74150%0.498SS*.Hα-helixtrans-68.1-30.2-180-59.30000113.9K181 V182 A183K181-S185 PolarHBondContact O-N 3.44Å; K181-S185 PolarHBondContact O-OG 2.93Å; K181-S185 VanDerWaalsContact O-OG 3.06Å; V182-S185 PolarHBondContact O-N 3.2Å; A183-S185 PolarHBondContact O-N 3.09Å
186L58.8Low52.2Low57 Ų5796.3 Ų96.330%0.29853%0.529SS..Hα-helixtrans-87.5-29.3-178.8-68171.8000113.3I107 F147 V182 A183 Q184I107-L186 HydrophobicContact CD1-CD1 3.57Å; F147-L186 HydrophobicContact CE1-CD2 4.4Å; F147-L186 HydrophobicContact CE2-CB 4.2Å; F147-L186 HydrophobicContact CZ-CB 3.96Å; V182-L186 HydrophobicContact CG1-CD1 3.6Å; V182-L186 HydrophobicContact CG1-CG 4.34Å; V182-L186 WeakPolarHBondContact O-CB 3.46Å; V182-L186 VanDerWaalsContact O-CG 3.23Å; V182-L186 WeakPolarHBondContact O-CG 3.01Å; V182-L186 PolarHBondContact O-N 3.28Å; A183-L186 PolarHBondContact O-N 3.42Å; Q184-L186 VanDerWaalsContact C-N 3.35Å; Q184-L186 PolarHBondContact O-N 3.22Å
187C53Low49.9Very low35 Ų3595.1 Ų95.124%0.23654%0.536CS..Hα-helixtrans-89.9-19.5-174.9-56.30000114.1A183 L191A183-C187 VanDerWaalsContact O-CB 3.28Å; A183-C187 WeakPolarHBondContact O-CB 3.18Å; A183-C187 PolarHBondContact O-N 2.79Å; A183-C187 PolarHBondContact O-SG 3.21Å; C187-L191 HydrophobicContact CB-CB 4.28Å
188G44.9Very low48Very low41 Ų4195.2 Ų95.242%0.42354%0.54SS..  trans71.5156.5-164.200000111.1Q184 D190Q184-G188 PolarHBondContact O-N 2.84Å; G188-D190 PolarHBondContact O-N 3.49Å
189E44.3Very low46.5Very low208 Ų20899.9 Ų99.997%0.97256%0.558SS**THydrogen-bonded Turntrans-58.42.1-165.1-97.5170.3141.700118.2
190D41.8Very low45.5Very low148 Ų14899 Ų9979%0.79155%0.553SS**THydrogen-bonded Turntrans-104.5-4.1-168.7-140.5-111.9000115.7G188G188-D190 PolarHBondContact O-N 3.49Å
191L43.3Very low44.5Very low95 Ų9599.3 Ų99.350%0.49756%0.555SS.*SBendtrans-118.23.5-170.4-79.7155.8000115.8C187C187-L191 HydrophobicContact CB-CB 4.28Å
192I42.3Very low43.7Very low60 Ų6097.9 Ų97.931%0.30856%0.555SS.*  trans-127.775.5176.3-53.9-164.6000109.4A183 Q184 K194A183-I192 HydrophobicContact CB-CD1 3.31Å; Q184-I192 HydrophobicContact CG-CB 4.18Å; Q184-I192 HydrophobicContact CG-CD1 4.1Å; Q184-I192 HydrophobicContact CG-CG1 4.48Å; Q184-I192 HydrophobicContact CG-CG2 4.42Å; I192-K194 PolarHBondContact O-N 3.19Å; I192-K194 VanDerWaalsContact O-N 3.15Å
193I35.3Very low42.9Very low131 Ų13199.8 Ų99.867%0.67258%0.576SS**  trans-74.1106.4164.9-57179.1000107.4
194K37.1Very low41.9Very low195 Ų195107 Ų10785%0.84861%0.608SS**THydrogen-bonded Turntrans12.3103.9159.6-66.6177.2177175.60116.1I192 I196I192-K194 PolarHBondContact O-N 3.19Å; I192-K194 VanDerWaalsContact O-N 3.15Å; K194-I196 PolarHBondContact O-N 3.26Å
195G40.6Very low41Very low86 Ų86108.3 Ų108.389%0.88763%0.625SS**THydrogen-bonded Turntrans82.7-1.4151.100000117.9
196I37.5Very low40.1Very low137 Ų137112.9 Ų112.970%0.70363%0.632SS**SBendtrans-137.5122.9178.5-56.5175.4000108.4K194 V198K194-I196 PolarHBondContact O-N 3.26Å; I196-V198 PolarHBondContact O-N 3.41Å
197S31.9Very low39.1Very low91 Ų91118 Ų11864%0.63665%0.654SS**  trans-54.3105.717051.20000109.4H199S197-H199 PolarHBondContact O-N 3.08Å
198V36.9Very low38.2Very low90 Ų90123 Ų12355%0.54568%0.678SS.*  trans-70.5119176.2179.80000107.9I196 I200I196-V198 PolarHBondContact O-N 3.41Å; V198-I200 PolarHBondContact O-N 2.86Å
199H35.2Very low38.1Very low132 Ų132125.6 Ų125.661%0.61169%0.69SS**  trans-55106.1163.6-112.6-107.6000108.4S197 S201S197-H199 PolarHBondContact O-N 3.08Å; H199-S201 PolarHBondContact ND1-OG 2.99Å; H199-S201 VanDerWaalsContact ND1-OG 3.09Å; H199-S201 PolarHBondContact O-N 2.84Å
200I42.3Very low37.7Very low72 Ų72121.7 Ų121.737%0.36968%0.676SS.*THydrogen-bonded Turntrans-77.544.3174.9-44.9175.2000109.5M132 V198M132-I200 HydrophobicContact CE-CB 4.02Å; M132-I200 HydrophobicContact CE-CG2 4.42Å; V198-I200 PolarHBondContact O-N 2.86Å
201S35.6Very low37.5Very low79 Ų79126.7 Ų126.755%0.55268%0.683SS**THydrogen-bonded Turntrans-102-14.4-178.5-45.70000112.5H199H199-S201 PolarHBondContact ND1-OG 2.99Å; H199-S201 VanDerWaalsContact ND1-OG 3.09Å; H199-S201 PolarHBondContact O-N 2.84Å
202N36.1Very low37.3Very low136 Ų136129.7 Ų129.773%0.72770%0.695SS**  trans-146.740.7-173.4-121.271.3000114.4E204N202-E204 VanDerWaalsContact C-N 3.27Å; N202-E204 PolarHBondContact O-N 2.8Å
203A37.2Very low37.1Very low93 Ų93133.3 Ų133.377%0.76971%0.714SS**  trans-77.982.7164.400000108.9
204E33.9Very low36.9Very low161 Ų161134 Ų13475%0.75271%0.714SS**  trans-66.5130162.4-79.4-177.5117.400108.7N202 K206N202-E204 VanDerWaalsContact C-N 3.27Å; N202-E204 PolarHBondContact O-N 2.8Å; E204-K206 PolarHBondContact O-N 2.82Å; E204-K206 VanDerWaalsContact O-N 3.1Å
205P37.5Very low36.8Very low122 Ų122135.4 Ų135.479%0.79271%0.714SS**  trans-65.6115.1174.124.8-28.9000108.5H207P205-H207 PolarHBondContact O-N 3.49Å
206K36.4Very low36.5Very low201 Ų201137 Ų13787%0.87471%0.712SS**  trans-61.3107.1165.6-75.2-174.7177.4179.30107.6E204 N208E204-K206 PolarHBondContact O-N 2.82Å; E204-K206 VanDerWaalsContact O-N 3.1Å; K206-N208 VanDerWaalsContact C-N 3.29Å; K206-N208 PolarHBondContact O-N 2.76Å
207H38.8Very low36.2Very low166 Ų166133.9 Ų133.977%0.76971%0.713SS**  trans-62.992.6167.2-166.8-77.8000107.8P205 S209P205-H207 PolarHBondContact O-N 3.49Å; H207-S209 VanDerWaalsContact C-N 3.3Å; H207-S209 PolarHBondContact CE1-OG 2.88Å; H207-S209 PolarHBondContact ND1-OG 3.16Å; H207-S209 PolarHBondContact O-N 3.45Å
208N33.3Very low36.3Very low139 Ų139140.3 Ų140.374%0.74372%0.724SS**  trans-77.688.1173.5-165.713000108.3K206 N210K206-N208 VanDerWaalsContact C-N 3.29Å; K206-N208 PolarHBondContact O-N 2.76Å; N208-N210 PolarHBondContact O-N 3.04Å
209S42.6Very low36.1Very low95 Ų95145.1 Ų145.166%0.66474%0.738SS**  trans-6975.4164.4-54.60000108.8H207H207-S209 VanDerWaalsContact C-N 3.3Å; H207-S209 PolarHBondContact CE1-OG 2.88Å; H207-S209 PolarHBondContact ND1-OG 3.16Å; H207-S209 PolarHBondContact O-N 3.45Å
210N35.1Very low35.9Very low127 Ų127142.7 Ų142.768%0.67975%0.748SS**  trans-146.378.8164.2-143.410.1000110.4N208 Q212N208-N210 PolarHBondContact O-N 3.04Å; N210-Q212 PolarHBondContact O-N 2.8Å
211R38.4Very low35.4Very low253 Ų253143.1 Ų143.196%0.95577%0.77SS**  trans-83.3102.2162.8-120.6-171.5-81.5178.4-5.2107
212Q38.9Very low35.5Very low157 Ų157146.6 Ų146.673%0.73478%0.782SS**  trans-87.8141.2166.5-163-174.21.500109.2N210N210-Q212 PolarHBondContact O-N 2.8Å
213L38.3Very low36Very low136 Ų136145.5 Ų145.571%0.71278%0.783SS**  trans79.5135.1152.5-118.373.9000115.7
214E32.2Very low35.8Very low145 Ų145144.6 Ų144.668%0.67878%0.783SS**  cis-157.1148.635.7-93.5-173.6104.700114.6
215R34.9Very low35.8Very low226 Ų226140.7 Ų140.785%0.85379%0.785SS**  trans35.8117.4135.6-70.7174.6155.7-177.2-5.4121.5
216S34.4Very low35.8Very low119 Ų119145 Ų14583%0.83279%0.792SS**  -170113.5116.854.60000106.8
217G29.7Very low35.7Very low71 Ų71139.1 Ų139.173%0.73279%0.789SS**  88.5112.18100000111
218R33.8Very low35.5Very low226 Ų226137.5 Ų137.585%0.85379%0.786SS**  trans91.7116.9148.2-63.8-168.5-171-127.92.8120.6
219F33.3Very low35.9Very low192 Ų192138.9 Ų138.984%0.84279%0.788SS**  trans76.7109.1135.7-81.8-105000120.3
220G31.2Very low35.4Very low81 Ų81138.2 Ų138.284%0.83580%0.797SS**  101.7117.7112.200000118.3
221G32.7Very low35.3Very low80 Ų80135 Ų13583%0.82579%0.794SS**  trans94.296136.200000118.3
222N36.4Very low35.3Very low152 Ų152133.6 Ų133.681%0.81380%0.795SS**  trans-63.7146.6139.5-164.758.1000107.2
223P46.1Very low35.2Very low113 Ų113130.1 Ų130.173%0.73480%0.801SS**  -158153.56438.5-15.3000119.6
224G33.5Very low35.2Very low75 Ų75130.7 Ų130.777%0.77381%0.805SS**  trans82152132.800000118.9
225G34Very low35.5Very low78 Ų78127.7 Ų127.780%0.80480%0.8SS**  trans145.5102158.400000115.4
226F37.4Very low35.7Very low212 Ų212128.7 Ų128.793%0.9380%0.803SS**  trans-75.7154.8174.7-78.4-109.8000113.6
227G35Very low35.9Very low79 Ų79126.6 Ų126.681%0.81480%0.801SS**  trans67.9163.6145.300000117
228N34.5Very low36.3Very low132 Ų132127.2 Ų127.271%0.70681%0.808SS**  cis-174.5159-1.6177.229.8000106.1
229Q40.5Very low36.6Very low167 Ų167120.1 Ų120.178%0.7880%0.804SS**  trans68.5105.5158.6-85.4161.918.900120.4
230G33.9Very low37.1Very low82 Ų82116.3 Ų116.385%0.84581%0.809SS**  73.1123.996.100000119.6
231G32.6Very low37.6Very low60 Ų60115.5 Ų115.562%0.61980%0.8SS**  trans118.9113.4130.700000118.2
232F36.9Very low38Very low222 Ų222120.9 Ų120.997%0.97481%0.809SS**  trans56.4114.5143.2-50.8-80.2000119.4
233G38.5Very low38Very low84 Ų84121 Ų12187%0.86685%0.846SS**  trans-166.796.1168.200000112.1
234N37.1Very low37.6Very low149 Ų149121.4 Ų121.480%0.79785%0.852SS**  trans-76.8145.3-177.8-165.826.5000111.7
235S38.3Very low37.8Very low81 Ų81123.8 Ų123.857%0.56686%0.856SS**  trans66.4139.7139.6-79.60000122.5
236R40.6Very low38Very low247 Ų247126.4 Ų126.493%0.93286%0.859SS**  trans76.4130.5154.5-64162.1-177.9-163.5-0.1115.1
237G37.4Very low38Very low76 Ų76121.4 Ų121.478%0.78486%0.855SS**  cis120.3112.523.300000108.5
238G39.1Very low38.2Very low84 Ų84124 Ų12487%0.86686%0.857SS**  trans63.9113.2146.900000120.1
239G39.9Very low38.4Very low76 Ų76123.5 Ų123.578%0.78487%0.867SS**  98.1129.9109.900000119.2
240A44.2Very low38.3Very low113 Ų113120.4 Ų120.493%0.93487%0.873SS**  trans63.6143.515700000116.6
241G41.1Very low38.6Very low64 Ų64123.3 Ų123.366%0.6688%0.876SS**  cis138.7142.117.300000107.9
242L40.7Very low39.1Very low192 Ų192128.6 Ų128.6100%1.00590%0.897SS**  trans77.1134.8162.8-52.2172.2000118.5
243G35.8Very low39.3Very low155 Ų155120.1 Ų120.1100%1.59889%0.89SS**  trans149.40167.900000111.7

Retrieved 243 of 243 residues in 273.9 ms (Link to these results)