A0A061AIU0_CAEEL Loading...

CUB_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AIU0, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 134 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
1M41.1Very low74Confident232 Ų23288.6 Ų88.6100%1.14349%0.488SS*.  01050-165-178.3-81.500106.2T3M1-T3 PolarHBondContact O-N 3.39Å
2I47.5Very low75.5Confident141 Ų14187.1 Ų87.172%0.72348%0.483SS*.  trans-78.1104.4179.8-58.5175.7000106.2H4I2-H4 PolarHBondContact O-N 3.41Å; I2-H4 VanDerWaalsContact O-N 3.11Å
3T50.1Low76.7Confident109 Ų10983.6 Ų83.667%0.66947%0.465SS*.  trans-71.597.7166.748.60000107M1 T5M1-T3 PolarHBondContact O-N 3.39Å; T3-T5 PolarHBondContact O-N 2.94Å
4H61.7Low77.6Confident166 Ų16677.9 Ų77.977%0.76943%0.434SS*.  trans-69.284.2165-75.8-59.4000107.7I2I2-H4 PolarHBondContact O-N 3.41Å; I2-H4 VanDerWaalsContact O-N 3.11Å
5T75.4Confident78.1Confident109 Ų10976.4 Ų76.467%0.66943%0.427SS*.  trans-72.8129.6172.450.90000108.1T3T3-T5 PolarHBondContact O-N 2.94Å
6C83.4Confident78.1Confident17 Ų1778.3 Ų78.312%0.11545%0.447CS..  trans-53.8124175.21800000110C8 F38 C43C6-C8 VanDerWaalsContact C-N 3.26Å; C6-C8 PolarHBondContact O-N 3.3Å; C6-F38 HydrophobicContact CB-CE2 4.06Å; C6-F38 HydrophobicContact CB-CZ 3.84Å; C6-C43 WeakPolarHBondContact CA-SG 3.47Å; C6-C43 HydrophobicContact CB-CB 3.64Å; C6-C43 WeakPolarHBondContact CB-SG 3.28Å; C6-C43 WeakPolarHBondContact SG-CA 3.26Å; C6-C43 WeakPolarHBondContact SG-CB 3.37Å; C6-C43 CovalentContact SG-SG 2.04Å; C6-C43 PolarHBondContact SG-SG 2.97Å
7P89.1Confident78.2Confident65 Ų6581.4 Ų81.442%0.42247%0.468SS..  trans-80.7-8.6-173.434.4-37.8000112.7L110 L113P7-L110 HydrophobicContact CG-CD2 3.63Å; P7-L113 HydrophobicContact CB-CD2 3.99Å; P7-L113 HydrophobicContact CG-CD2 3.98Å
8C90.9Very high78.3Confident5 Ų579.4 Ų79.43%0.03446%0.46CS..SBendtrans-72.3139179.3-78.10000112.9C6 C108 L113 R114 F115C6-C8 VanDerWaalsContact C-N 3.26Å; C6-C8 PolarHBondContact O-N 3.3Å; C8-C108 HydrophobicContact CB-CB 3.7Å; C8-C108 WeakPolarHBondContact CB-SG 3.41Å; C8-C108 WeakPolarHBondContact SG-CA 3.41Å; C8-C108 WeakPolarHBondContact SG-CB 3.26Å; C8-C108 CovalentContact SG-SG 2Å; C8-C108 PolarHBondContact SG-SG 2.84Å; C8-L113 WeakPolarHBondContact CA-O 3.47Å; C8-R114 VanDerWaalsContact SG-C 3.58Å; C8-R114 PolarHBondContact SG-N 2.94Å; C8-R114 PolarHBondContact SG-O 3.46Å; C8-F115 HydrophobicContact CB-CD2 4.15Å; C8-F115 HydrophobicContact CB-CE1 4.15Å; C8-F115 HydrophobicContact CB-CE2 3.63Å; C8-F115 HydrophobicContact CB-CZ 3.62Å
9T91.2Very high78.5Confident66 Ų6677.6 Ų77.641%0.40545%0.448SS..PPolyproline II helixtrans-74.8128.9176.2-57.40000110.3L113 F115T9-L113 PolarHBondContact N-O 2.76Å; T9-F115 WeakPolarHBondContact O-CD2 3.3Å; T9-F115 VanDerWaalsContact O-CE2 3.24Å; T9-F115 WeakPolarHBondContact O-CE2 3.46Å
10P91.2Very high78.7Confident62 Ų6278.5 Ų78.540%0.40346%0.455SS..PPolyproline II helixtrans-54.6142.1178.2-26.634.9000113.4F38P10-F38 HydrophobicContact CB-CB 4.26Å; P10-F38 HydrophobicContact CB-CD1 4.48Å; P10-F38 HydrophobicContact CB-CG 4.3Å; P10-F38 HydrophobicContact CG-CB 4.44Å; P10-F38 HydrophobicContact CG-CD1 3.77Å; P10-F38 HydrophobicContact CG-CE1 4.05Å; P10-F38 HydrophobicContact CG-CG 4.03Å
11I92.4Very high78.8Confident3 Ų375.5 Ų75.52%0.01544%0.438CS..PPolyproline II helixtrans-74.5136.3176-57.9177.9000109.9P36 T45 L106 F115 V127 F130I11-P36 HydrophobicContact CB-CB 4.11Å; I11-P36 HydrophobicContact CB-CG 4.05Å; I11-P36 HydrophobicContact CG2-CB 4.42Å; I11-P36 HydrophobicContact CG2-CG 3.82Å; I11-T45 HydrophobicContact CD1-CG2 3.37Å; I11-T45 HydrophobicContact CG1-CG2 3.99Å; I11-L106 HydrophobicContact CD1-CD1 3.58Å; I11-F115 HydrophobicContact CD1-CB 3.82Å; I11-F115 HydrophobicContact CD1-CD2 4.2Å; I11-F115 HydrophobicContact CD1-CG 4.21Å; I11-F115 HydrophobicContact CG1-CB 4.2Å; I11-F115 HydrophobicContact CG1-CD2 3.74Å; I11-F115 HydrophobicContact CG1-CG 4.26Å; I11-V127 HydrophobicContact CD1-CB 3.9Å; I11-V127 HydrophobicContact CD1-CG1 3.69Å; I11-V127 HydrophobicContact CG1-CB 4.39Å; I11-V127 HydrophobicContact CG1-CG1 4.16Å; I11-V127 HydrophobicContact CG2-CG1 3.95Å; I11-F130 HydrophobicContact CG2-CB 3.9Å
12T92.6Very high80Confident70 Ų7068.6 Ų68.643%0.42942%0.419SS..EExtended strand (participates in β ladder)trans-98.4175.7175.857.70000111.8V128 S129 F130T12-V128 PolarHBondContact N-O 3.48Å; T12-V128 PolarHBondContact OG1-O 2.95Å; T12-S129 CarbonylContact O-C 3.52Å; T12-S129 WeakPolarHBondContact O-CA 3.47Å; T12-S129 PolarHBondContact OG1-OG 3.28Å; T12-F130 PolarHBondContact O-N 3.24Å
13V91Very high80.8Confident42 Ų4264.4 Ų64.426%0.25541%0.41SS..EExtended strand (participates in β ladder)trans-96.6142.6176.6-66.30000111.7T15 T35 F130V13-T15 HydrophobicContact CG2-CG2 4.23Å; V13-T35 HydrophobicContact CG1-CG2 4.26Å; V13-F130 WeakPolarHBondContact CA-O 3.12Å
14I88.3Confident81.2Confident4 Ų460 Ų602%0.02139%0.386CS..  trans-76.8129.6164-53169.7000107.5N19 P30 I75 F130 A131I14-N19 HydrophobicContact CG2-CB 3.86Å; I14-P30 HydrophobicContact CG2-CB 4.41Å; I14-I75 HydrophobicContact CD1-CD1 4.24Å; I14-I75 HydrophobicContact CD1-CG1 3.92Å; I14-I75 HydrophobicContact CG1-CD1 4.03Å; I14-I75 HydrophobicContact CG1-CG1 4.19Å; I14-F130 PolarHBondContact N-O 3.44Å; I14-A131 HydrophobicContact CB-CB 3.71Å; I14-A131 HydrophobicContact CD1-CB 4.29Å; I14-A131 HydrophobicContact CG1-CB 4.29Å
15T85.3Confident81.3Confident55 Ų5558.4 Ų58.434%0.33739%0.388SS..  trans-109.7172.2177.966.50000109.7V13 T17 S18 N19V13-T15 HydrophobicContact CG2-CG2 4.23Å; T15-T17 PolarHBondContact O-N 2.5Å; T15-T17 VanDerWaalsContact O-N 3.13Å; T15-T17 PolarHBondContact OG1-N 2.96Å; T15-T17 PolarHBondContact OG1-OG1 3.15Å; T15-S18 PolarHBondContact N-OG 2.93Å; T15-S18 PolarHBondContact O-N 2.89Å; T15-S18 PolarHBondContact OG1-N 2.72Å; T15-S18 PolarHBondContact OG1-OG 3.3Å; T15-S18 VanDerWaalsContact OG1-OG 3.13Å; T15-N19 VanDerWaalsContact O-CB 3.31Å; T15-N19 WeakPolarHBondContact O-CB 3.37Å; T15-N19 PolarHBondContact O-N 2.75Å
16S78.3Confident80.7Confident106 Ų10656.5 Ų56.574%0.74137%0.373SS*.THydrogen-bonded Turntrans-58.5-23.3172.954.40000113.9
17T79.6Confident80.1Confident131 Ų13156.6 Ų56.680%0.80437%0.372SS*.THydrogen-bonded Turntrans-93.3-26.4179.154.20000113.7T15T15-T17 PolarHBondContact O-N 2.5Å; T15-T17 VanDerWaalsContact O-N 3.13Å; T15-T17 PolarHBondContact OG1-N 2.96Å; T15-T17 PolarHBondContact OG1-OG1 3.15Å
18S81Confident79.2Confident46 Ų4658 Ų5832%0.32238%0.376SS..THydrogen-bonded Turntrans-98.30.1177.264.80000113.6T15 T20T15-S18 PolarHBondContact N-OG 2.93Å; T15-S18 PolarHBondContact O-N 2.89Å; T15-S18 PolarHBondContact OG1-N 2.72Å; T15-S18 PolarHBondContact OG1-OG 3.3Å; T15-S18 VanDerWaalsContact OG1-OG 3.13Å; S18-T20 PolarHBondContact O-N 3.29Å; S18-T20 VanDerWaalsContact O-N 3.15Å
19N81.3Confident78.6Confident46 Ų4662.1 Ų62.125%0.24640%0.398CS..  trans-70.9108178.7-174.718.3000111.4I14 T15 C21 P30 Y133I14-N19 HydrophobicContact CG2-CB 3.86Å; T15-N19 VanDerWaalsContact O-CB 3.31Å; T15-N19 WeakPolarHBondContact O-CB 3.37Å; T15-N19 PolarHBondContact O-N 2.75Å; N19-C21 VanDerWaalsContact OD1-CB 3.32Å; N19-C21 WeakPolarHBondContact OD1-CB 3.25Å; N19-C21 PolarHBondContact OD1-N 2.82Å; N19-P30 HydrophobicContact CB-CG 4.03Å; N19-Y133 PolarHBondContact OD1-OH 2.78Å; N19-Y133 VanDerWaalsContact OD1-OH 3.1Å
20T83.7Confident78.1Confident95 Ų9560.2 Ų60.258%0.58339%0.387SS*.  trans-109.98.8172.456.90000112.3S18 A22 C81S18-T20 PolarHBondContact O-N 3.29Å; S18-T20 VanDerWaalsContact O-N 3.15Å; T20-A22 PolarHBondContact O-N 3.47Å; T20-C81 VanDerWaalsContact OG1-CB 3.26Å; T20-C81 WeakPolarHBondContact OG1-CB 3.45Å
21C79.3Confident77.6Confident15 Ų1559.8 Ų59.810%0.10138%0.379CS..PPolyproline II helixtrans-69.7130.4178.9-82.10000109.7N19 G23 C81 Q83 Y133N19-C21 VanDerWaalsContact OD1-CB 3.32Å; N19-C21 WeakPolarHBondContact OD1-CB 3.25Å; N19-C21 PolarHBondContact OD1-N 2.82Å; C21-G23 PolarHBondContact O-N 3.31Å; C21-C81 WeakPolarHBondContact CA-SG 3.43Å; C21-C81 HydrophobicContact CB-CB 3.89Å; C21-C81 WeakPolarHBondContact CB-SG 3.03Å; C21-C81 PolarHBondContact N-SG 3.28Å; C21-C81 VanDerWaalsContact SG-C 3.51Å; C21-C81 WeakPolarHBondContact SG-CB 3.47Å; C21-C81 CovalentContact SG-SG 2.02Å; C21-C81 PolarHBondContact SG-SG 3.36Å; C21-Q83 HydrophobicContact CB-CB 4.04Å; C21-Y133 PolarHBondContact SG-OH 3.43Å; C21-Y133 VanDerWaalsContact SG-OH 3.41Å
22A66.8Low76.8Confident88 Ų8861.2 Ų61.273%0.72739%0.389SS*.PPolyproline II helixtrans-66.1119.2163.200000106.9T20T20-A22 PolarHBondContact O-N 3.47Å
23G63.3Low75.7Confident52 Ų5259.4 Ų59.454%0.53638%0.377SS..PPolyproline II helixtrans-47.7137.9-169.800000113.8C21 D28C21-G23 PolarHBondContact O-N 3.31Å; G23-D28 WeakPolarHBondContact CA-OD1 3.33Å
24G60.1Low75.2Confident17 Ų1765.7 Ų65.718%0.17540%0.397CS..PPolyproline II helixtrans-74.3163.6171.100000110.9L26 Q83G24-L26 VanDerWaalsContact C-N 3.26Å; G24-L26 PolarHBondContact O-N 2.96Å; G24-Q83 VanDerWaalsContact N-NE2 3.14Å; G24-Q83 VanDerWaalsContact N-OE1 3.14Å
25T63.4Low75.1Confident133 Ų13369.5 Ų69.582%0.81642%0.42SS*.SBendtrans-72.8-16.8-175.624.90000114.6D85T25-D85 PolarHBondContact OG1-OD2 2.84Å
26L63.3Low75.3Confident68 Ų6867.4 Ų67.436%0.35641%0.408SS..SBendtrans-105.1-38-174.3-64.3173.4000114.4G24 Q69 D85G24-L26 VanDerWaalsContact C-N 3.26Å; G24-L26 PolarHBondContact O-N 2.96Å; L26-Q69 HydrophobicContact CD1-CB 3.91Å; L26-D85 HydrophobicContact CD1-CB 3.87Å
27H69.6Low75.9Confident20 Ų2065.8 Ų65.89%0.09339%0.393CS..  trans-150.9132.5-173.3-64-73.5000111.3Q83 Y134H27-Q83 PolarHBondContact O-NE2 3.03Å; H27-Y134 WeakPolarHBondContact ND1-CA 3.43Å; H27-Y134 PolarHBondContact ND1-OXT 3.44Å
28D70.3Confident76.4Confident93 Ų9363 Ų6350%0.49737%0.37SS..  trans-113.2-17.9-173-71.9-39.2000114.4G23G23-D28 WeakPolarHBondContact CA-OD1 3.33Å
29N78.6Confident76.8Confident93 Ų9363 Ų6350%0.49737%0.365SS..SBendtrans-92.7121.6-176.3-66.1-60.9000110.9F31 Y133 Y134N29-F31 PolarHBondContact O-N 3.19Å; N29-Y133 CarbonylContact O-C 3.29Å; N29-Y133 VanDerWaalsContact O-CA 3.25Å; N29-Y133 WeakPolarHBondContact O-CA 3.27Å; N29-Y134 HydrophobicContact CB-CD1 3.95Å; N29-Y134 HydrophobicContact CB-CE1 3.68Å; N29-Y134 WeakPolarHBondContact CB-O 3.31Å; N29-Y134 PolarHBondContact N-O 3.33Å; N29-Y134 PolarHBondContact O-N 3.03Å
30P81.1Confident76.9Confident26 Ų2664.2 Ų64.217%0.16938%0.377CS..EExtended strand (participates in β ladder)trans-66.6126.3177.829-35.8000109.9I14 N19 A131 Y133I14-P30 HydrophobicContact CG2-CB 4.41Å; N19-P30 HydrophobicContact CB-CG 4.03Å; P30-A131 HydrophobicContact CB-CB 4.14Å; P30-Y133 HydrophobicContact CB-CD1 4.27Å; P30-Y133 HydrophobicContact CB-CE1 3.85Å; P30-Y133 HydrophobicContact CG-CE1 4.5Å
31F81.5Confident76.9Confident53 Ų5364.8 Ų64.823%0.23239%0.386CS..EExtended strand (participates in β ladder)trans-135108.1175.6171.5-99.7000109.8N29 V33 K50 F58 Q132 Y134N29-F31 PolarHBondContact O-N 3.19Å; F31-V33 HydrophobicContact CE1-CG2 3.98Å; F31-K50 HydrophobicContact CE1-CB 4.46Å; F31-K50 HydrophobicContact CE1-CD 4.24Å; F31-K50 HydrophobicContact CZ-CD 4.28Å; F31-F58 AromaticContact CD1-CD1 3.68Å; F31-F58 HydrophobicContact CD1-CD1 3.68Å; F31-F58 AromaticContact CD1-CE1 3.58Å; F31-F58 HydrophobicContact CD1-CE1 3.58Å; F31-F58 HydrophobicContact CD1-CG 4.44Å; F31-F58 HydrophobicContact CD1-CZ 4.26Å; F31-F58 HydrophobicContact CD2-CE1 4.18Å; F31-F58 AromaticContact CE1-CD1 3.69Å; F31-F58 HydrophobicContact CE1-CD1 3.69Å; F31-F58 HydrophobicContact CE1-CD2 4.39Å; F31-F58 AromaticContact CE1-CE1 3.29Å; F31-F58 HydrophobicContact CE1-CE1 3.29Å; F31-F58 HydrophobicContact CE1-CE2 4.06Å; F31-F58 HydrophobicContact CE1-CG 4.22Å; F31-F58 AromaticContact CE1-CZ 3.5Å; F31-F58 HydrophobicContact CE1-CZ 3.5Å; F31-F58 AromaticContact CE2-CE1 3.94Å; F31-F58 HydrophobicContact CE2-CE1 3.94Å; F31-F58 HydrophobicContact CE2-CZ 4.14Å; F31-F58 HydrophobicContact CG-CD1 4.34Å; F31-F58 HydrophobicContact CG-CE1 4.02Å; F31-F58 HydrophobicContact CZ-CD1 4.35Å; F31-F58 AromaticContact CZ-CE1 3.5Å; F31-F58 HydrophobicContact CZ-CE1 3.5Å; F31-F58 VanDerWaalsContact CZ-CE1 3.5Å; F31-F58 HydrophobicContact CZ-CE2 4.25Å; F31-F58 AromaticContact CZ-CZ 3.43Å; F31-F58 HydrophobicContact CZ-CZ 3.43Å; F31-F58 VanDerWaalsContact CZ-CZ 3.43Å; F31-Q132 CarbonylContact C-O 3.52Å; F31-Q132 VanDerWaalsContact C-O 3.28Å; F31-Q132 WeakPolarHBondContact CA-O 3.43Å; F31-Q132 PolarHBondContact N-O 3.34Å; F31-Q132 CarbonylContact O-C 3.55Å; F31-Q132 VanDerWaalsContact O-C 3.29Å; F31-Q132 WeakPolarHBondContact O-CA 3.27Å; F31-Q132 WeakPolarHBondContact O-CB 3.34Å; F31-Q132 PolarHBondContact O-N 2.69Å; F31-Y134 HydrophobicContact CB-CD1 3.48Å; F31-Y134 VanDerWaalsContact CB-CD1 3.48Å; F31-Y134 HydrophobicContact CB-CE1 4.16Å; F31-Y134 HydrophobicContact CB-CG 4.34Å; F31-Y134 HydrophobicContact CG-CD1 4.19Å
32S74.8Confident77.3Confident32 Ų3269.9 Ų69.922%0.22441%0.408CS..  trans-99.1122.2170.6-720000109.9R34 F130 A131S32-R34 PolarHBondContact O-N 2.81Å; S32-F130 PolarHBondContact OG-O 2.78Å; S32-A131 VanDerWaalsContact OG-CA 3.28Å; S32-A131 WeakPolarHBondContact OG-CA 3.39Å; S32-A131 WeakPolarHBondContact OG-CB 3.05Å
33V69.8Low78.3Confident32 Ų3267 Ų6719%0.19438%0.382CS..SBendtrans-56.7-45.2175-170.40000110.7F31 V48 K50 F101F31-V33 HydrophobicContact CE1-CG2 3.98Å; V33-V48 WeakPolarHBondContact CG2-O 3.5Å; V33-K50 HydrophobicContact CB-CB 4.28Å; V33-K50 HydrophobicContact CG1-CB 4.05Å; V33-K50 HydrophobicContact CG1-CD 4.1Å; V33-K50 HydrophobicContact CG2-CB 3.23Å; V33-K50 HydrophobicContact CG2-CD 4.35Å; V33-K50 HydrophobicContact CG2-CG 4.43Å; V33-F101 HydrophobicContact CG1-CD1 4.01Å; V33-F101 HydrophobicContact CG1-CE1 3.59Å
34R79.2Confident79.8Confident175 Ų17566.7 Ų66.766%0.6637%0.367SS*.SBendtrans-156157-179.6-60.8-175.9-176.9-141.2-2.6108.6S32S32-R34 PolarHBondContact O-N 2.81Å
35T86.6Confident81.3Confident84 Ų8465.9 Ų65.952%0.51536%0.358SS..  trans-58.4135.9161.8-49.60000109.5V13 V37V13-T35 HydrophobicContact CG1-CG2 4.26Å; T35-V37 PolarHBondContact O-N 3.08Å
36P90.4Very high82.8Confident11 Ų1161.5 Ų61.57%0.07133%0.329CS..  trans-50.7131.8175.4-3037.7000111.7I11 F38 T45 L46 V47 F130I11-P36 HydrophobicContact CB-CB 4.11Å; I11-P36 HydrophobicContact CB-CG 4.05Å; I11-P36 HydrophobicContact CG2-CB 4.42Å; I11-P36 HydrophobicContact CG2-CG 3.82Å; P36-F38 PolarHBondContact O-N 3.4Å; P36-T45 WeakPolarHBondContact CB-OG1 3.4Å; P36-L46 CarbonylContact C-O 3.28Å; P36-L46 VanDerWaalsContact CA-O 3.26Å; P36-L46 WeakPolarHBondContact CA-O 3.37Å; P36-V47 HydrophobicContact CB-CG2 4.35Å; P36-V47 HydrophobicContact CG-CG2 4.34Å; P36-F130 HydrophobicContact CG-CB 4.25Å
37V91.1Very high84.1Confident72 Ų7258.3 Ų58.344%0.43631%0.313SS..EExtended strand (participates in β ladder)trans-82111.7-172.9-177.80000108.6T35 M39 T45 L46T35-V37 PolarHBondContact O-N 3.08Å; V37-M39 PolarHBondContact O-N 3.42Å; V37-T45 CarbonylContact O-C 3.57Å; V37-T45 VanDerWaalsContact O-CA 3.28Å; V37-T45 WeakPolarHBondContact O-CA 3.47Å; V37-T45 PolarHBondContact O-OG1 3.41Å; V37-L46 HydrophobicContact CB-CB 4.19Å; V37-L46 PolarHBondContact N-O 2.99Å; V37-L46 PolarHBondContact O-N 2.86Å
38F89.6Confident85.1Confident71 Ų7158.3 Ų58.331%0.31131%0.314SS..EExtended strand (participates in β ladder)trans-79.3115.7177.6176.7-128.6000111.2C6 P10 P36 F115C6-F38 HydrophobicContact CB-CE2 4.06Å; C6-F38 HydrophobicContact CB-CZ 3.84Å; P10-F38 HydrophobicContact CB-CB 4.26Å; P10-F38 HydrophobicContact CB-CD1 4.48Å; P10-F38 HydrophobicContact CB-CG 4.3Å; P10-F38 HydrophobicContact CG-CB 4.44Å; P10-F38 HydrophobicContact CG-CD1 3.77Å; P10-F38 HydrophobicContact CG-CE1 4.05Å; P10-F38 HydrophobicContact CG-CG 4.03Å; P36-F38 PolarHBondContact O-N 3.4Å; F38-F115 HydrophobicContact CD2-CE2 4.29Å; F38-F115 AromaticContact CD2-CZ 3.66Å; F38-F115 HydrophobicContact CD2-CZ 3.66Å; F38-F115 HydrophobicContact CE2-CE2 4.38Å; F38-F115 AromaticContact CE2-CZ 3.62Å; F38-F115 HydrophobicContact CE2-CZ 3.62Å
39M88.4Confident85.9Confident47 Ų4753.9 Ų53.923%0.23229%0.291CS..EExtended strand (participates in β ladder)trans-100.785.3178.4-62.7-175-6400109.1V37 S41 Q42 C43 E44 L46V37-M39 PolarHBondContact O-N 3.42Å; M39-S41 PolarHBondContact O-N 3.09Å; M39-S41 VanDerWaalsContact O-N 3.17Å; M39-Q42 HydrophobicContact CB-CB 4.47Å; M39-Q42 PolarHBondContact O-N 2.83Å; M39-Q42 VanDerWaalsContact O-N 3.13Å; M39-C43 PolarHBondContact O-N 2.97Å; M39-E44 HydrophobicContact CE-CB 3.73Å; M39-E44 PolarHBondContact N-O 2Å; M39-E44 PolarHBondContact O-N 2.96Å; M39-L46 HydrophobicContact CE-CB 4.34Å
40S83.9Confident86.3Confident71 Ų7151.2 Ų51.250%0.49728%0.275SS..THydrogen-bonded Turntrans-60.6-26.7-173.458.60000114.6
41S84.3Confident86.3Confident108 Ų10850 Ų5076%0.75527%0.267SS*.THydrogen-bonded Turntrans-74.8-29.2177.756.90000114M39M39-S41 PolarHBondContact O-N 3.09Å; M39-S41 VanDerWaalsContact O-N 3.17Å
42Q86.6Confident86.2Confident121 Ų12147.5 Ų47.557%0.56526%0.256SS*.THydrogen-bonded Turntrans-102.4-8.7-179.8-68.1176.57900111.8M39 E44M39-Q42 HydrophobicContact CB-CB 4.47Å; M39-Q42 PolarHBondContact O-N 2.83Å; M39-Q42 VanDerWaalsContact O-N 3.13Å; Q42-E44 HydrophobicContact CB-CB 4.34Å; Q42-E44 HydrophobicContact CB-CG 4.22Å; Q42-E44 PolarHBondContact O-N 3.3Å
43C89.3Confident86.3Confident28 Ų2847.2 Ų47.219%0.18925%0.252CS..THydrogen-bonded Turntrans55.641.1-174.4-150.70000112.3C6 M39 C108C6-C43 WeakPolarHBondContact CA-SG 3.47Å; C6-C43 HydrophobicContact CB-CB 3.64Å; C6-C43 WeakPolarHBondContact CB-SG 3.28Å; C6-C43 WeakPolarHBondContact SG-CA 3.26Å; C6-C43 WeakPolarHBondContact SG-CB 3.37Å; C6-C43 CovalentContact SG-SG 2.04Å; C6-C43 PolarHBondContact SG-SG 2.97Å; M39-C43 PolarHBondContact O-N 2.97Å; C43-C108 HydrophobicContact CB-CB 4.14Å; C43-C108 VanDerWaalsContact O-CB 3.23Å; C43-C108 WeakPolarHBondContact O-CB 3.47Å; C43-C108 PolarHBondContact O-N 2.71Å; C43-C108 WeakPolarHBondContact SG-CB 3.37Å; C43-C108 PolarHBondContact SG-SG 2.81Å
44E93.2Very high86.6Confident46 Ų4652.5 Ų52.522%0.21528%0.277CS..EExtended strand (participates in β ladder)trans-124.6158.5-179.4-70.9-173.9166.500110.4M39 Q42 L106M39-E44 HydrophobicContact CE-CB 3.73Å; M39-E44 PolarHBondContact N-O 2Å; M39-E44 PolarHBondContact O-N 2.96Å; Q42-E44 HydrophobicContact CB-CB 4.34Å; Q42-E44 HydrophobicContact CB-CG 4.22Å; Q42-E44 PolarHBondContact O-N 3.3Å; E44-L106 CarbonylContact C-O 3.54Å; E44-L106 VanDerWaalsContact CA-O 3.28Å; E44-L106 WeakPolarHBondContact CA-O 3.36Å
45T93.3Very high86.3Confident0 Ų054.3 Ų54.30%028%0.284CS..EExtended strand (participates in β ladder)trans-127.8131.8168.6-171.60000110.3I11 P36 V37 S105 L106 F115I11-T45 HydrophobicContact CD1-CG2 3.37Å; I11-T45 HydrophobicContact CG1-CG2 3.99Å; P36-T45 WeakPolarHBondContact CB-OG1 3.4Å; V37-T45 CarbonylContact O-C 3.57Å; V37-T45 VanDerWaalsContact O-CA 3.28Å; V37-T45 WeakPolarHBondContact O-CA 3.47Å; V37-T45 PolarHBondContact O-OG1 3.41Å; T45-S105 WeakPolarHBondContact O-CA 3.42Å; T45-L106 HydrophobicContact CG2-CB 3.76Å; T45-L106 HydrophobicContact CG2-CD1 4.31Å; T45-L106 HydrophobicContact CG2-CG 4.44Å; T45-L106 PolarHBondContact N-O 3.27Å; T45-L106 PolarHBondContact O-N 2.96Å; T45-F115 HydrophobicContact CG2-CB 3.93Å; T45-F115 HydrophobicContact CG2-CD1 3.48Å; T45-F115 VanDerWaalsContact CG2-CD1 3.48Å; T45-F115 HydrophobicContact CG2-CD2 3.89Å; T45-F115 HydrophobicContact CG2-CE1 3.91Å; T45-F115 HydrophobicContact CG2-CE2 4.25Å; T45-F115 HydrophobicContact CG2-CG 3.47Å; T45-F115 VanDerWaalsContact CG2-CG 3.47Å; T45-F115 HydrophobicContact CG2-CZ 4.27Å
46L93.4Very high85.8Confident40 Ų4054.7 Ų54.721%0.20928%0.283CS..EExtended strand (participates in β ladder)trans-95.6117.6-178.4-171.776000110.4P36 V37 M39 V48 K103 Y104P36-L46 CarbonylContact C-O 3.28Å; P36-L46 VanDerWaalsContact CA-O 3.26Å; P36-L46 WeakPolarHBondContact CA-O 3.37Å; V37-L46 HydrophobicContact CB-CB 4.19Å; V37-L46 PolarHBondContact N-O 2.99Å; V37-L46 PolarHBondContact O-N 2.86Å; M39-L46 HydrophobicContact CE-CB 4.34Å; L46-V48 HydrophobicContact CD2-CG2 4.1Å; L46-V48 HydrophobicContact CG-CG2 4.31Å; L46-K103 HydrophobicContact CD1-CB 4.07Å; L46-K103 HydrophobicContact CD2-CD 4.27Å; L46-K103 HydrophobicContact CD2-CG 4.42Å; L46-Y104 CarbonylContact C-O 3.5Å; L46-Y104 WeakPolarHBondContact CA-O 3.44Å; L46-Y104 WeakPolarHBondContact CD1-O 3.28Å
47V91.9Very high85.2Confident1 Ų158.2 Ų58.21%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-90.2130.9170177.60000108.9P36 L49 K103 Y104 L106 V119 F130P36-V47 HydrophobicContact CB-CG2 4.35Å; P36-V47 HydrophobicContact CG-CG2 4.34Å; V47-L49 HydrophobicContact CG1-CD2 3.92Å; V47-K103 WeakPolarHBondContact O-CA 3.39Å; V47-Y104 PolarHBondContact N-O 2.74Å; V47-Y104 PolarHBondContact O-N 3.34Å; V47-L106 HydrophobicContact CG2-CD1 4.01Å; V47-L106 HydrophobicContact CG2-CG 4.37Å; V47-V119 HydrophobicContact CB-CG2 4.48Å; V47-V119 HydrophobicContact CG1-CG1 4.28Å; V47-V119 HydrophobicContact CG2-CG2 4.48Å; V47-F130 HydrophobicContact CG1-CD1 3.67Å; V47-F130 HydrophobicContact CG1-CD2 4.41Å; V47-F130 HydrophobicContact CG1-CE1 3.25Å; V47-F130 HydrophobicContact CG1-CE2 4.06Å; V47-F130 HydrophobicContact CG1-CG 4.25Å; V47-F130 HydrophobicContact CG1-CZ 3.49Å; V47-F130 VanDerWaalsContact CG1-CZ 3.49Å
48V89.5Confident84.8Confident20 Ų2055.2 Ų55.212%0.12128%0.282CS..EExtended strand (participates in β ladder)trans-117.8116.3179-175.20000109.2V33 L46 F101 L102 K103V33-V48 WeakPolarHBondContact CG2-O 3.5Å; L46-V48 HydrophobicContact CD2-CG2 4.1Å; L46-V48 HydrophobicContact CG-CG2 4.31Å; V48-F101 HydrophobicContact CG1-CB 3.94Å; V48-F101 HydrophobicContact CG1-CD1 3.86Å; V48-F101 HydrophobicContact CG1-CG 4.25Å; V48-L102 CarbonylContact C-O 3.51Å; V48-L102 WeakPolarHBondContact CA-O 3.42Å; V48-K103 HydrophobicContact CG2-CG 4.42Å
49L88.2Confident84.5Confident0 Ų052 Ų520%027%0.268CS..EExtended strand (participates in β ladder)trans-95145.9170.5-44.6-176.2000109V47 F59 I72 I86 F101 L102 Y104 V119 A120 F130 Q132V47-L49 HydrophobicContact CG1-CD2 3.92Å; L49-F59 HydrophobicContact CB-CZ 4.3Å; L49-F59 HydrophobicContact CD1-CZ 4.29Å; L49-I72 HydrophobicContact CD1-CG2 4.03Å; L49-I72 HydrophobicContact CD2-CG2 3.9Å; L49-I86 HydrophobicContact CD1-CD1 3.66Å; L49-F101 CarbonylContact O-C 3.51Å; L49-F101 VanDerWaalsContact O-CA 3.23Å; L49-F101 WeakPolarHBondContact O-CA 3.31Å; L49-L102 HydrophobicContact CB-CB 4.26Å; L49-L102 PolarHBondContact N-O 2.87Å; L49-L102 PolarHBondContact O-N 2.93Å; L49-Y104 HydrophobicContact CD1-CD2 4.21Å; L49-Y104 HydrophobicContact CD1-CE2 3.69Å; L49-Y104 HydrophobicContact CG-CD2 4.23Å; L49-Y104 HydrophobicContact CG-CE2 4.06Å; L49-V119 HydrophobicContact CD1-CG1 4.07Å; L49-V119 HydrophobicContact CD2-CG1 4.33Å; L49-V119 HydrophobicContact CG-CG1 4.45Å; L49-A120 HydrophobicContact CD1-CB 4.33Å; L49-F130 HydrophobicContact CD2-CE1 3.81Å; L49-F130 HydrophobicContact CD2-CZ 3.55Å; L49-Q132 HydrophobicContact CD2-CB 4.3Å
50K86.4Confident84.2Confident38 Ų3853.1 Ų53.117%0.16528%0.278CS..EExtended strand (participates in β ladder)trans-112.4115.3176.9-176.7176.3-167.6-165.30108F31 V33 S52 N53 F58 F101 Q132F31-K50 HydrophobicContact CE1-CB 4.46Å; F31-K50 HydrophobicContact CE1-CD 4.24Å; F31-K50 HydrophobicContact CZ-CD 4.28Å; V33-K50 HydrophobicContact CB-CB 4.28Å; V33-K50 HydrophobicContact CG1-CB 4.05Å; V33-K50 HydrophobicContact CG1-CD 4.1Å; V33-K50 HydrophobicContact CG2-CB 3.23Å; V33-K50 HydrophobicContact CG2-CD 4.35Å; V33-K50 HydrophobicContact CG2-CG 4.43Å; K50-S52 WeakPolarHBondContact CE-O 3.24Å; K50-S52 WeakPolarHBondContact CG-O 3.32Å; K50-N53 PolarHBondContact NZ-ND2 2.86Å; K50-F58 HydrophobicContact CB-CD2 4.25Å; K50-F58 HydrophobicContact CB-CE2 4.44Å; K50-F58 HydrophobicContact CD-CD2 4.04Å; K50-F58 HydrophobicContact CD-CE2 3.43Å; K50-F58 VanDerWaalsContact CD-CE2 3.43Å; K50-F58 HydrophobicContact CD-CZ 4.1Å; K50-F58 HydrophobicContact CG-CD2 3.81Å; K50-F58 HydrophobicContact CG-CE2 3.73Å; K50-F58 VanDerWaalsContact O-CB 3.3Å; K50-F58 WeakPolarHBondContact O-CB 3.38Å; K50-F101 HydrophobicContact CB-CD1 3.95Å; K50-F101 HydrophobicContact CB-CE1 4Å; K50-F101 HydrophobicContact CD-CE1 3.78Å; K50-F101 HydrophobicContact CD-CZ 4.42Å; K50-F101 HydrophobicContact CG-CD1 4.02Å; K50-F101 HydrophobicContact CG-CE1 3.7Å; K50-F101 HydrophobicContact CG-CZ 4.47Å; K50-Q132 PolarHBondContact O-NE2 3.45Å; K50-Q132 PolarHBondContact O-OE1 3.07Å
51A82.1Confident84.1Confident0 Ų053.5 Ų53.50%027%0.274CS..  trans-74.8-39.5177.900000110.8F58 F59 A94 Q100A51-F58 PolarHBondContact O-N 2.82Å; A51-F59 HydrophobicContact CB-CD2 3.85Å; A51-F59 HydrophobicContact CB-CE2 4.14Å; A51-F59 HydrophobicContact CB-CG 4.46Å; A51-F59 PolarHBondContact O-N 2.93Å; A51-A94 HydrophobicContact CB-CB 3.77Å; A51-Q100 HydrophobicContact CB-CB 4.46Å; A51-Q100 PolarHBondContact N-O 2.04Å
52S78.6Confident83.8Confident0 Ų049 Ų490%024%0.243CC..BIsolated β-bridgetrans-156.8168-172.8600000113.7K50 N56 N57 A94 G96 G99 Q100K50-S52 WeakPolarHBondContact CE-O 3.24Å; K50-S52 WeakPolarHBondContact CG-O 3.32Å; S52-N56 CarbonylContact C-O 3.56Å; S52-N57 WeakPolarHBondContact CB-OD1 3.03Å; S52-A94 WeakPolarHBondContact CB-O 3.47Å; S52-A94 PolarHBondContact OG-O 3.31Å; S52-G96 WeakPolarHBondContact CB-O 3.44Å; S52-G96 PolarHBondContact OG-O 2.86Å; S52-G99 WeakPolarHBondContact O-CA 3.33Å; S52-Q100 PolarHBondContact OG-N 3.13Å
53N77.1Confident83.3Confident26 Ų2650.8 Ų50.814%0.13926%0.263CS..  trans-148.6178.5164.171.271.3000111.2K50 R55 N56 F58K50-N53 PolarHBondContact NZ-ND2 2.86Å; N53-R55 PolarHBondContact O-N 2.94Å; N53-R55 VanDerWaalsContact OD1-CA 3.27Å; N53-R55 WeakPolarHBondContact OD1-CA 2.96Å; N53-R55 VanDerWaalsContact OD1-CB 3.27Å; N53-R55 WeakPolarHBondContact OD1-CB 3.31Å; N53-R55 PolarHBondContact OD1-N 3.11Å; N53-N56 PolarHBondContact N-O 3Å; N53-N56 PolarHBondContact ND2-O 3.22Å; N53-N56 PolarHBondContact O-N 3.23Å; N53-N56 PolarHBondContact OD1-N 3.47Å; N53-F58 WeakPolarHBondContact ND2-CE2 3.5Å; N53-F58 VanDerWaalsContact ND2-CZ 3.26Å; N53-F58 WeakPolarHBondContact ND2-CZ 3.23Å
54I75.1Confident82.5Confident143 Ų14353.1 Ų53.173%0.73327%0.274SS*.SBendtrans-59.8-18.9-179-160168.7000114.7
55R73.3Confident81.4Confident214 Ų21453.1 Ų53.181%0.80829%0.286SS*.SBendtrans-107.9-41.1-179.1-53.2-172.8179.4-162.9-1.9113N53N53-R55 PolarHBondContact O-N 2.94Å; N53-R55 VanDerWaalsContact OD1-CA 3.27Å; N53-R55 WeakPolarHBondContact OD1-CA 2.96Å; N53-R55 VanDerWaalsContact OD1-CB 3.27Å; N53-R55 WeakPolarHBondContact OD1-CB 3.31Å; N53-R55 PolarHBondContact OD1-N 3.11Å
56N76.4Confident80.5Confident91 Ų9160.2 Ų60.249%0.48732%0.319SS..  trans-137.7142.4-169-57.9-29.4000112.1S52 N53S52-N56 CarbonylContact C-O 3.56Å; N53-N56 PolarHBondContact N-O 3Å; N53-N56 PolarHBondContact ND2-O 3.22Å; N53-N56 PolarHBondContact O-N 3.23Å; N53-N56 PolarHBondContact OD1-N 3.47Å
57N78.3Confident79.8Confident85 Ų8561.5 Ų61.546%0.45532%0.324SS..BIsolated β-bridgetrans-92.4135.5162-66.2-25.9000108.8S52 V95 G96S52-N57 WeakPolarHBondContact CB-OD1 3.03Å; N57-V95 HydrophobicContact CB-CG1 4.25Å; N57-G96 PolarHBondContact OD1-N 2.78Å
58F81.4Confident79.4Confident9 Ų961.4 Ų61.44%0.03932%0.323CS..SBendtrans-103.3-14176.6-58.4-85.8000112.1F31 K50 A51 N53 Y134F31-F58 AromaticContact CD1-CD1 3.68Å; F31-F58 HydrophobicContact CD1-CD1 3.68Å; F31-F58 AromaticContact CD1-CE1 3.58Å; F31-F58 HydrophobicContact CD1-CE1 3.58Å; F31-F58 HydrophobicContact CD1-CG 4.44Å; F31-F58 HydrophobicContact CD1-CZ 4.26Å; F31-F58 HydrophobicContact CD2-CE1 4.18Å; F31-F58 AromaticContact CE1-CD1 3.69Å; F31-F58 HydrophobicContact CE1-CD1 3.69Å; F31-F58 HydrophobicContact CE1-CD2 4.39Å; F31-F58 AromaticContact CE1-CE1 3.29Å; F31-F58 HydrophobicContact CE1-CE1 3.29Å; F31-F58 HydrophobicContact CE1-CE2 4.06Å; F31-F58 HydrophobicContact CE1-CG 4.22Å; F31-F58 AromaticContact CE1-CZ 3.5Å; F31-F58 HydrophobicContact CE1-CZ 3.5Å; F31-F58 AromaticContact CE2-CE1 3.94Å; F31-F58 HydrophobicContact CE2-CE1 3.94Å; F31-F58 HydrophobicContact CE2-CZ 4.14Å; F31-F58 HydrophobicContact CG-CD1 4.34Å; F31-F58 HydrophobicContact CG-CE1 4.02Å; F31-F58 HydrophobicContact CZ-CD1 4.35Å; F31-F58 AromaticContact CZ-CE1 3.5Å; F31-F58 HydrophobicContact CZ-CE1 3.5Å; F31-F58 VanDerWaalsContact CZ-CE1 3.5Å; F31-F58 HydrophobicContact CZ-CE2 4.25Å; F31-F58 AromaticContact CZ-CZ 3.43Å; F31-F58 HydrophobicContact CZ-CZ 3.43Å; F31-F58 VanDerWaalsContact CZ-CZ 3.43Å; K50-F58 HydrophobicContact CB-CD2 4.25Å; K50-F58 HydrophobicContact CB-CE2 4.44Å; K50-F58 HydrophobicContact CD-CD2 4.04Å; K50-F58 HydrophobicContact CD-CE2 3.43Å; K50-F58 VanDerWaalsContact CD-CE2 3.43Å; K50-F58 HydrophobicContact CD-CZ 4.1Å; K50-F58 HydrophobicContact CG-CD2 3.81Å; K50-F58 HydrophobicContact CG-CE2 3.73Å; K50-F58 VanDerWaalsContact O-CB 3.3Å; K50-F58 WeakPolarHBondContact O-CB 3.38Å; A51-F58 PolarHBondContact O-N 2.82Å; N53-F58 WeakPolarHBondContact ND2-CE2 3.5Å; N53-F58 VanDerWaalsContact ND2-CZ 3.26Å; N53-F58 WeakPolarHBondContact ND2-CZ 3.23Å; F58-Y134 HydrophobicContact CD1-CG 4.26Å
59F83.4Confident79.3Confident3 Ų363.5 Ų63.51%0.01333%0.332CS..SBendtrans-110.3151.3169-66.5-9.3000110.2L49 A51 A68 Q69 I86 V88 V95 L102 Q132L49-F59 HydrophobicContact CB-CZ 4.3Å; L49-F59 HydrophobicContact CD1-CZ 4.29Å; A51-F59 HydrophobicContact CB-CD2 3.85Å; A51-F59 HydrophobicContact CB-CE2 4.14Å; A51-F59 HydrophobicContact CB-CG 4.46Å; A51-F59 PolarHBondContact O-N 2.93Å; F59-A68 HydrophobicContact CB-CB 3.99Å; F59-A68 HydrophobicContact CD2-CB 3.79Å; F59-A68 HydrophobicContact CG-CB 4.35Å; F59-Q69 CarbonylContact C-O 3.52Å; F59-Q69 WeakPolarHBondContact CA-O 3.49Å; F59-Q69 VanDerWaalsContact CB-O 3.3Å; F59-Q69 WeakPolarHBondContact CB-O 3.11Å; F59-I86 HydrophobicContact CE1-CD1 4.23Å; F59-I86 HydrophobicContact CZ-CD1 3.88Å; F59-V88 HydrophobicContact CD2-CG2 4.15Å; F59-V88 HydrophobicContact CE2-CG2 3.53Å; F59-V88 HydrophobicContact CZ-CG2 4.18Å; F59-V95 HydrophobicContact CB-CG2 4.1Å; F59-L102 HydrophobicContact CE2-CD1 3.57Å; F59-L102 HydrophobicContact CZ-CD1 4.14Å; F59-Q132 VanDerWaalsContact CE1-NE2 3.28Å
60T83.3Confident79.2Confident72 Ų7263.5 Ų63.544%0.44233%0.332SS..EExtended strand (participates in β ladder)trans-102.2131.5174.9-55.50000109.1A62 Q69T60-A62 PolarHBondContact O-N 2.85Å; T60-Q69 PolarHBondContact N-O 3.44Å; T60-Q69 PolarHBondContact O-N 3.14Å
61L81.6Confident79.3Confident78 Ų7861.7 Ų61.741%0.40832%0.324SS..EExtended strand (participates in β ladder)trans-66.4129.2171.3-85.1149000109.3A92 V95L61-A92 HydrophobicContact CD2-CB 4.43Å; L61-V95 HydrophobicContact CD1-CB 3.72Å; L61-V95 HydrophobicContact CD1-CG1 3.63Å; L61-V95 HydrophobicContact CD2-CB 4.36Å; L61-V95 HydrophobicContact CD2-CG2 4.5Å; L61-V95 HydrophobicContact CG-CB 3.7Å; L61-V95 HydrophobicContact CG-CG1 3.8Å; L61-V95 HydrophobicContact CG-CG2 3.99Å
62A78.1Confident79.8Confident14 Ų1461.8 Ų61.812%0.11632%0.324CS..PPolyproline II helixtrans-65.2164169.900000110.5T60 D64 G65 Q67 Q69T60-A62 PolarHBondContact O-N 2.85Å; A62-D64 WeakPolarHBondContact CB-OD1 3.19Å; A62-D64 PolarHBondContact O-N 3.41Å; A62-D64 VanDerWaalsContact O-N 3.11Å; A62-G65 PolarHBondContact O-N 2.74Å; A62-Q67 HydrophobicContact CB-CB 3.9Å; A62-Q67 WeakPolarHBondContact CB-O 2.99Å; A62-Q67 PolarHBondContact N-O 3.02Å; A62-Q69 HydrophobicContact CB-CG 4.24Å
63T76Confident80.4Confident159 Ų15961.8 Ų61.898%0.97533%0.325SS*.THydrogen-bonded Turntrans-62.6-21.4-175-38.90000113.4G65T63-G65 VanDerWaalsContact C-N 3.32Å
64D72.6Confident81.1Confident77 Ų7761 Ų6141%0.41232%0.32SS..THydrogen-bonded Turntrans-77.2-15.7175.161.410.1000113.5A62 E66 Q67A62-D64 WeakPolarHBondContact CB-OD1 3.19Å; A62-D64 PolarHBondContact O-N 3.41Å; A62-D64 VanDerWaalsContact O-N 3.11Å; D64-E66 PolarHBondContact O-N 2.92Å; D64-E66 PolarHBondContact OD1-N 2.02Å; D64-Q67 PolarHBondContact OD1-N 2.88Å; D64-Q67 VanDerWaalsContact OD1-N 3.14Å; D64-Q67 VanDerWaalsContact OD2-CD 3.32Å; D64-Q67 WeakPolarHBondContact OD2-CG 3.28Å; D64-Q67 PolarHBondContact OD2-NE2 3.47Å
65G70.7Confident82Confident46 Ų4655 Ų5547%0.47429%0.289SS..SBendtrans69.50.7-174.700000114.6A62 T63A62-G65 PolarHBondContact O-N 2.74Å; T63-G65 VanDerWaalsContact C-N 3.32Å
66E73Confident82.9Confident149 Ų14945.3 Ų45.370%0.69625%0.253SS*.SBendtrans-108.1-6.8-175.6-66.2-166.4167.800112.7D64 A92D64-E66 PolarHBondContact O-N 2.92Å; D64-E66 PolarHBondContact OD1-N 2.02Å; E66-A92 WeakPolarHBondContact O-CB 3.39Å
67Q79.5Confident83.7Confident66 Ų6644.8 Ų44.831%0.30825%0.253SS..  trans-128.2140.2178.8-60.2176.647.100111.1A62 D64 T87 T89A62-Q67 HydrophobicContact CB-CB 3.9Å; A62-Q67 WeakPolarHBondContact CB-O 2.99Å; A62-Q67 PolarHBondContact N-O 3.02Å; D64-Q67 PolarHBondContact OD1-N 2.88Å; D64-Q67 VanDerWaalsContact OD1-N 3.14Å; D64-Q67 VanDerWaalsContact OD2-CD 3.32Å; D64-Q67 WeakPolarHBondContact OD2-CG 3.28Å; D64-Q67 PolarHBondContact OD2-NE2 3.47Å; Q67-T87 HydrophobicContact CB-CG2 3.83Å; Q67-T87 HydrophobicContact CG-CG2 4.19Å; Q67-T89 HydrophobicContact CG-CG2 4.11Å
68A82.9Confident84.4Confident0 Ų044.7 Ų44.70%026%0.26CS..EExtended strand (participates in β ladder)trans-103.9131.316900000110.2F59 T87 V88 V95F59-A68 HydrophobicContact CB-CB 3.99Å; F59-A68 HydrophobicContact CD2-CB 3.79Å; F59-A68 HydrophobicContact CG-CB 4.35Å; A68-T87 CarbonylContact O-C 3.47Å; A68-T87 WeakPolarHBondContact O-CA 3.31Å; A68-V88 PolarHBondContact N-O 2.91Å; A68-V88 PolarHBondContact O-N 2.89Å; A68-V95 HydrophobicContact CB-CG2 3.71Å
69Q86.6Confident84.7Confident64 Ų6446.5 Ų46.530%0.29928%0.28SS..EExtended strand (participates in β ladder)trans-105.3138.2178.2-61.3-178.4-3300110.1L26 F59 T60 A62 I86L26-Q69 HydrophobicContact CD1-CB 3.91Å; F59-Q69 CarbonylContact C-O 3.52Å; F59-Q69 WeakPolarHBondContact CA-O 3.49Å; F59-Q69 VanDerWaalsContact CB-O 3.3Å; F59-Q69 WeakPolarHBondContact CB-O 3.11Å; T60-Q69 PolarHBondContact N-O 3.44Å; T60-Q69 PolarHBondContact O-N 3.14Å; A62-Q69 HydrophobicContact CB-CG 4.24Å; Q69-I86 WeakPolarHBondContact CA-O 3.21Å
70G87.3Confident85Confident0 Ų049.7 Ų49.70%030%0.3CS..EExtended strand (participates in β ladder)trans-154.1-172.6172.700000110.2D85 I86G70-D85 CarbonylContact O-C 3.59Å; G70-D85 WeakPolarHBondContact O-CA 3.28Å; G70-I86 PolarHBondContact N-O 2.79Å; G70-I86 WeakPolarHBondContact O-CG1 3.27Å; G70-I86 PolarHBondContact O-N 3.31Å
71S89Confident85.3Confident0 Ų047.1 Ų47.10%029%0.285CS..EExtended strand (participates in β ladder)trans-132.3144.2174.4-47.40000110.7S84 D85 Y133S71-S84 WeakPolarHBondContact CA-O 3.44Å; S71-D85 PolarHBondContact OG-OD1 2.96Å; S71-Y133 PolarHBondContact O-N 2.86Å
72I91Very high85.7Confident1 Ų148.7 Ų48.71%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-130.2158.3172.765.7-178.2000109L49 Q83 S84 I86 V119 V122 M124 F130 A131 Q132L49-I72 HydrophobicContact CD1-CG2 4.03Å; L49-I72 HydrophobicContact CD2-CG2 3.9Å; I72-Q83 CarbonylContact O-C 3.57Å; I72-Q83 WeakPolarHBondContact O-CA 3.37Å; I72-S84 PolarHBondContact N-O 2.78Å; I72-S84 PolarHBondContact O-N 2.98Å; I72-I86 HydrophobicContact CD1-CG2 3.65Å; I72-I86 HydrophobicContact CG1-CG2 3.69Å; I72-I86 HydrophobicContact CG2-CD1 3.64Å; I72-I86 HydrophobicContact CG2-CG1 4.26Å; I72-V119 HydrophobicContact CD1-CB 3.87Å; I72-V119 HydrophobicContact CD1-CG1 3.65Å; I72-V122 HydrophobicContact CD1-CB 4.16Å; I72-V122 HydrophobicContact CD1-CG2 4.14Å; I72-V122 HydrophobicContact CG1-CG2 4.44Å; I72-M124 HydrophobicContact CD1-CE 3.4Å; I72-M124 VanDerWaalsContact CD1-CE 3.4Å; I72-M124 HydrophobicContact CG1-CE 4.07Å; I72-F130 HydrophobicContact CB-CE2 3.99Å; I72-F130 HydrophobicContact CB-CZ 3.94Å; I72-F130 HydrophobicContact CD1-CE2 4.31Å; I72-F130 HydrophobicContact CG2-CZ 4.01Å; I72-A131 CarbonylContact C-O 3.56Å; I72-A131 WeakPolarHBondContact CA-O 3.41Å; I72-Q132 HydrophobicContact CG2-CB 4.44Å
73G91.6Very high86.2Confident1 Ų149.4 Ų49.41%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-150.1157.6173.600000112.7R82 F130 A131G73-R82 CarbonylContact C-O 3.54Å; G73-R82 WeakPolarHBondContact CA-O 3.18Å; G73-F130 WeakPolarHBondContact O-CD2 3.39Å; G73-A131 PolarHBondContact N-O 3.05Å; G73-A131 PolarHBondContact O-N 3.47Å; G73-A131 VanDerWaalsContact O-O 3.12Å
74Y92.8Very high86.8Confident8 Ų843.8 Ų43.83%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-143.5150.2-179.671.7-81.8000110.9D76 C81 R82 V122 M124 V127 S129Y74-D76 HydrophobicContact CE2-CB 4.27Å; Y74-C81 WeakPolarHBondContact O-CA 3.03Å; Y74-R82 HydrophobicContact CD1-CB 4.28Å; Y74-R82 HydrophobicContact CE1-CB 3.87Å; Y74-R82 PolarHBondContact N-O 2.67Å; Y74-R82 PolarHBondContact O-N 3.25Å; Y74-R82 WeakPolarHBondContact OH-CD 3.21Å; Y74-V122 HydrophobicContact CE1-CG1 4.42Å; Y74-M124 HydrophobicContact CD1-CB 4.48Å; Y74-M124 HydrophobicContact CD1-CE 3.97Å; Y74-M124 HydrophobicContact CD1-CG 3.78Å; Y74-M124 HydrophobicContact CD1-SD 4Å; Y74-M124 HydrophobicContact CD2-CB 4.48Å; Y74-M124 HydrophobicContact CE1-CB 4.33Å; Y74-M124 HydrophobicContact CE1-CG 3.77Å; Y74-M124 HydrophobicContact CE2-CB 4.32Å; Y74-M124 HydrophobicContact CG-CG 4.2Å; Y74-M124 HydrophobicContact CG-SD 4.16Å; Y74-V127 HydrophobicContact CD2-CG2 3.99Å; Y74-S129 CarbonylContact C-O 3.56Å; Y74-S129 WeakPolarHBondContact CA-O 3.3Å; Y74-S129 WeakPolarHBondContact CB-O 3.26Å
75I92.8Very high87.6Confident19 Ų1943 Ų4310%0.09725%0.249CC..EExtended strand (participates in β ladder)trans-104127.6170.6-62.1173.1000107.2I14 T80 C81 V128 S129I14-I75 HydrophobicContact CD1-CD1 4.24Å; I14-I75 HydrophobicContact CD1-CG1 3.92Å; I14-I75 HydrophobicContact CG1-CD1 4.03Å; I14-I75 HydrophobicContact CG1-CG1 4.19Å; I75-T80 WeakPolarHBondContact CA-O 3.39Å; I75-C81 HydrophobicContact CD1-CB 4.48Å; I75-C81 HydrophobicContact CG1-CB 3.78Å; I75-C81 VanDerWaalsContact CG1-SG 3.57Å; I75-V128 WeakPolarHBondContact O-CB 3.32Å; I75-V128 PolarHBondContact O-N 3.38Å; I75-S129 PolarHBondContact N-O 2.81Å; I75-S129 PolarHBondContact O-N 3.36Å
76D93.3Very high88.4Confident9 Ų940.9 Ų40.95%0.04823%0.227CC..EExtended strand (participates in β ladder)trans-89.8175.8174.66632.5000112Y74 S78 G79 T80 R82 N126Y74-D76 HydrophobicContact CE2-CB 4.27Å; D76-S78 PolarHBondContact O-N 3.13Å; D76-S78 VanDerWaalsContact O-N 3.15Å; D76-S78 WeakPolarHBondContact OD1-CA 3.26Å; D76-S78 VanDerWaalsContact OD1-CB 3.26Å; D76-S78 WeakPolarHBondContact OD1-CB 3.1Å; D76-S78 PolarHBondContact OD1-N 3.17Å; D76-S78 PolarHBondContact OD1-OG 3.31Å; D76-G79 PolarHBondContact O-N 3.1Å; D76-G79 PolarHBondContact OD1-N 2.96Å; D76-T80 PolarHBondContact N-O 2.91Å; D76-T80 PolarHBondContact OD1-N 3.13Å; D76-R82 IonicContact OD2-CZ 3.54Å; D76-R82 IonicContact OD2-NE 3.33Å; D76-R82 PolarHBondContact OD2-NE 2.64Å; D76-R82 IonicContact OD2-NH2 2.96Å; D76-R82 PolarHBondContact OD2-NH2 2.65Å; D76-N126 CarbonylContact C-O 3.56Å; D76-N126 VanDerWaalsContact CA-O 3.28Å; D76-N126 WeakPolarHBondContact CA-O 3.09Å
77T93.3Very high89.1Confident80 Ų8037 Ų3749%0.49121%0.214SC..THydrogen-bonded Turntrans-63.8-14.7178.349.40000114.6R114 N126 V128T77-R114 HydrophobicContact CG2-CG 3.7Å; T77-N126 HydrophobicContact CG2-CB 4.04Å; T77-N126 PolarHBondContact N-O 3.43Å; T77-N126 VanDerWaalsContact N-O 3.08Å; T77-N126 WeakPolarHBondContact OG1-CB 3.41Å; T77-V128 HydrophobicContact CG2-CG2 3.78Å
78S91.7Very high89.2Confident84 Ų8434.4 Ų34.459%0.58720%0.203SC*.THydrogen-bonded Turntrans-79.4-7.3172.478.20000112.7D76 T80D76-S78 PolarHBondContact O-N 3.13Å; D76-S78 VanDerWaalsContact O-N 3.15Å; D76-S78 WeakPolarHBondContact OD1-CA 3.26Å; D76-S78 VanDerWaalsContact OD1-CB 3.26Å; D76-S78 WeakPolarHBondContact OD1-CB 3.1Å; D76-S78 PolarHBondContact OD1-N 3.17Å; D76-S78 PolarHBondContact OD1-OG 3.31Å; S78-T80 VanDerWaalsContact C-N 3.25Å; S78-T80 WeakPolarHBondContact OG-CB 3.43Å; S78-T80 PolarHBondContact OG-N 3.29Å; S78-T80 PolarHBondContact OG-OG1 3.15Å
79G88.4Confident88.9Confident46 Ų4638.8 Ų38.847%0.47423%0.229SC..SBendtrans815.2-173.500000113.3D76 C81D76-G79 PolarHBondContact O-N 3.1Å; D76-G79 PolarHBondContact OD1-N 2.96Å; G79-C81 PolarHBondContact O-N 3.18Å
80T89.5Confident88Confident70 Ų7042.8 Ų42.843%0.42925%0.253SS..  trans-79121.2178-56.50000109.3I75 D76 S78 R82I75-T80 WeakPolarHBondContact CA-O 3.39Å; D76-T80 PolarHBondContact N-O 2.91Å; D76-T80 PolarHBondContact OD1-N 3.13Å; S78-T80 VanDerWaalsContact C-N 3.25Å; S78-T80 WeakPolarHBondContact OG-CB 3.43Å; S78-T80 PolarHBondContact OG-N 3.29Å; S78-T80 PolarHBondContact OG-OG1 3.15Å; T80-R82 HydrophobicContact CG2-CG 4.18Å
81C88.8Confident86.6Confident18 Ų1842.8 Ų42.812%0.12225%0.253CS..EExtended strand (participates in β ladder)trans-88.3124.7172.4-159.70000109.4T20 C21 Y74 I75 G79T20-C81 VanDerWaalsContact OG1-CB 3.26Å; T20-C81 WeakPolarHBondContact OG1-CB 3.45Å; C21-C81 WeakPolarHBondContact CA-SG 3.43Å; C21-C81 HydrophobicContact CB-CB 3.89Å; C21-C81 WeakPolarHBondContact CB-SG 3.03Å; C21-C81 PolarHBondContact N-SG 3.28Å; C21-C81 VanDerWaalsContact SG-C 3.51Å; C21-C81 WeakPolarHBondContact SG-CB 3.47Å; C21-C81 CovalentContact SG-SG 2.02Å; C21-C81 PolarHBondContact SG-SG 3.36Å; Y74-C81 WeakPolarHBondContact O-CA 3.03Å; I75-C81 HydrophobicContact CD1-CB 4.48Å; I75-C81 HydrophobicContact CG1-CB 3.78Å; I75-C81 VanDerWaalsContact CG1-SG 3.57Å; G79-C81 PolarHBondContact O-N 3.18Å
82R89.9Confident85.2Confident112 Ų11243 Ų4342%0.42326%0.255SS..EExtended strand (participates in β ladder)trans-117.1118.9178.4-58.6-177.4-160.3-159.81.6108.3G73 Y74 D76 T80G73-R82 CarbonylContact C-O 3.54Å; G73-R82 WeakPolarHBondContact CA-O 3.18Å; Y74-R82 HydrophobicContact CD1-CB 4.28Å; Y74-R82 HydrophobicContact CE1-CB 3.87Å; Y74-R82 PolarHBondContact N-O 2.67Å; Y74-R82 PolarHBondContact O-N 3.25Å; Y74-R82 WeakPolarHBondContact OH-CD 3.21Å; D76-R82 IonicContact OD2-CZ 3.54Å; D76-R82 IonicContact OD2-NE 3.33Å; D76-R82 PolarHBondContact OD2-NE 2.64Å; D76-R82 IonicContact OD2-NH2 2.96Å; D76-R82 PolarHBondContact OD2-NH2 2.65Å; T80-R82 HydrophobicContact CG2-CG 4.18Å
83Q89.7Confident83.8Confident29 Ų2948.1 Ų48.114%0.13629%0.291CS..EExtended strand (participates in β ladder)trans-102.1143.8170-172.2170.6-15.900109.2C21 G24 H27 I72 Y133C21-Q83 HydrophobicContact CB-CB 4.04Å; G24-Q83 VanDerWaalsContact N-NE2 3.14Å; G24-Q83 VanDerWaalsContact N-OE1 3.14Å; H27-Q83 PolarHBondContact O-NE2 3.03Å; I72-Q83 CarbonylContact O-C 3.57Å; I72-Q83 WeakPolarHBondContact O-CA 3.37Å; Q83-Y133 HydrophobicContact CG-CD2 4.28Å; Q83-Y133 HydrophobicContact CG-CE2 4.26Å
84S89.4Confident82.2Confident40 Ų4048.2 Ų48.228%0.2829%0.291SS..EExtended strand (participates in β ladder)trans-144.3138.3178.9-59.60000109.7S71 I72S71-S84 WeakPolarHBondContact CA-O 3.44Å; I72-S84 PolarHBondContact N-O 2.78Å; I72-S84 PolarHBondContact O-N 2.98Å
85D89.1Confident81Confident61 Ų6149 Ų4933%0.32630%0.296SS..EExtended strand (participates in β ladder)trans-74137.4169.5-67-18.5000108.8T25 L26 G70 S71T25-D85 PolarHBondContact OG1-OD2 2.84Å; L26-D85 HydrophobicContact CD1-CB 3.87Å; G70-D85 CarbonylContact O-C 3.59Å; G70-D85 WeakPolarHBondContact O-CA 3.28Å; S71-D85 PolarHBondContact OG-OD1 2.96Å
86I87.9Confident79.6Confident2 Ų249.3 Ų49.31%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-120.7146.8-178.356.9161.5000110.2L49 F59 Q69 G70 I72 V88 A120 V122L49-I86 HydrophobicContact CD1-CD1 3.66Å; F59-I86 HydrophobicContact CE1-CD1 4.23Å; F59-I86 HydrophobicContact CZ-CD1 3.88Å; Q69-I86 WeakPolarHBondContact CA-O 3.21Å; G70-I86 PolarHBondContact N-O 2.79Å; G70-I86 WeakPolarHBondContact O-CG1 3.27Å; G70-I86 PolarHBondContact O-N 3.31Å; I72-I86 HydrophobicContact CD1-CG2 3.65Å; I72-I86 HydrophobicContact CG1-CG2 3.69Å; I72-I86 HydrophobicContact CG2-CD1 3.64Å; I72-I86 HydrophobicContact CG2-CG1 4.26Å; I86-V88 HydrophobicContact CD1-CG2 4.34Å; I86-A120 HydrophobicContact CB-CB 3.91Å; I86-A120 HydrophobicContact CD1-CB 3.66Å; I86-A120 HydrophobicContact CG1-CB 4.41Å; I86-A120 HydrophobicContact CG2-CB 4Å; I86-V122 HydrophobicContact CG2-CG2 3.5Å
87T87.3Confident78Confident68 Ų6852.8 Ų52.842%0.41733%0.33SS..EExtended strand (participates in β ladder)trans-124129.2176.1-59.40000108.2Q67 A68Q67-T87 HydrophobicContact CB-CG2 3.83Å; Q67-T87 HydrophobicContact CG-CG2 4.19Å; A68-T87 CarbonylContact O-C 3.47Å; A68-T87 WeakPolarHBondContact O-CA 3.31Å
88V82Confident76.8Confident11 Ų1155.8 Ų55.87%0.06734%0.343CS..EExtended strand (participates in β ladder)trans-126.6116.7-176.6-133.70000109.4F59 A68 I86 L102F59-V88 HydrophobicContact CD2-CG2 4.15Å; F59-V88 HydrophobicContact CE2-CG2 3.53Å; F59-V88 HydrophobicContact CZ-CG2 4.18Å; A68-V88 PolarHBondContact N-O 2.91Å; A68-V88 PolarHBondContact O-N 2.89Å; I86-V88 HydrophobicContact CD1-CG2 4.34Å; V88-L102 HydrophobicContact CB-CD1 4.27Å; V88-L102 HydrophobicContact CG1-CD1 3.85Å; V88-L102 HydrophobicContact CG2-CD1 4.07Å
89T76.4Confident75.8Confident91 Ų9153.1 Ų53.156%0.55833%0.329SS*.SBendtrans-79.4-49.6178.345.40000111Q67 G91 A92Q67-T89 HydrophobicContact CG-CG2 4.11Å; T89-G91 PolarHBondContact O-N 3.24Å; T89-A92 PolarHBondContact O-N 2.77Å
90D66Low75.4Confident148 Ų14854.4 Ų54.479%0.79132%0.323SS*.THydrogen-bonded Turntrans-70.510176.5-74.8-27.4000114.2
91G59.7Low75.2Confident0 Ų055.9 Ų55.90%032%0.323CS..THydrogen-bonded Turntrans-130.45.2177.500000113.8T89 A94T89-G91 PolarHBondContact O-N 3.24Å; G91-A94 WeakPolarHBondContact O-CA 3.39Å; G91-A94 WeakPolarHBondContact O-CB 3.34Å; G91-A94 PolarHBondContact O-N 2.9Å
92A59.7Low75.1Confident6 Ų656.2 Ų56.25%0.0532%0.323CS..G310 helixtrans-66.9-43.8178.200000112.4L61 E66 T89 A94 V95L61-A92 HydrophobicContact CD2-CB 4.43Å; E66-A92 WeakPolarHBondContact O-CB 3.39Å; T89-A92 PolarHBondContact O-N 2.77Å; A92-A94 PolarHBondContact O-N 2.82Å; A92-V95 PolarHBondContact O-N 2.92Å
93S61.1Low75.1Confident108 Ų10857.8 Ų57.876%0.75533%0.333SS*.G310 helixtrans-65.8-5.917048.50000113.6
94A58.2Low75.2Confident3 Ų358.6 Ų58.63%0.02534%0.336CS..G310 helixtrans-84.4-16.6177.200000114.4A51 S52 G91 A92 G96 Q100A51-A94 HydrophobicContact CB-CB 3.77Å; S52-A94 WeakPolarHBondContact CB-O 3.47Å; S52-A94 PolarHBondContact OG-O 3.31Å; G91-A94 WeakPolarHBondContact O-CA 3.39Å; G91-A94 WeakPolarHBondContact O-CB 3.34Å; G91-A94 PolarHBondContact O-N 2.9Å; A92-A94 PolarHBondContact O-N 2.82Å; A94-G96 PolarHBondContact O-N 2.89Å; A94-Q100 VanDerWaalsContact CA-CD 3.42Å; A94-Q100 HydrophobicContact CB-CB 3.72Å; A94-Q100 HydrophobicContact CB-CG 4.04Å
95V66.6Low75.4Confident23 Ų2359.4 Ų59.414%0.13934%0.341CS..  trans-77.8108.2-179.5-176.60000108.4N57 F59 L61 A68 A92N57-V95 HydrophobicContact CB-CG1 4.25Å; F59-V95 HydrophobicContact CB-CG2 4.1Å; L61-V95 HydrophobicContact CD1-CB 3.72Å; L61-V95 HydrophobicContact CD1-CG1 3.63Å; L61-V95 HydrophobicContact CD2-CB 4.36Å; L61-V95 HydrophobicContact CD2-CG2 4.5Å; L61-V95 HydrophobicContact CG-CB 3.7Å; L61-V95 HydrophobicContact CG-CG1 3.8Å; L61-V95 HydrophobicContact CG-CG2 3.99Å; A68-V95 HydrophobicContact CB-CG2 3.71Å; A92-V95 PolarHBondContact O-N 2.92Å
96G63.5Low75.7Confident26 Ų2656.5 Ų56.527%0.26833%0.326SS..SBendtrans153178.1-170.500000113S52 N57 A94 N98S52-G96 WeakPolarHBondContact CB-O 3.44Å; S52-G96 PolarHBondContact OG-O 2.86Å; N57-G96 PolarHBondContact OD1-N 2.78Å; A94-G96 PolarHBondContact O-N 2.89Å; G96-N98 PolarHBondContact O-N 3.24Å; G96-N98 VanDerWaalsContact O-N 3.07Å
97S60.4Low76Confident83 Ų8359.9 Ų59.958%0.5835%0.346SS*.THydrogen-bonded Turntrans-73.80.9-167.648.70000116.6
98N68.3Low76.4Confident142 Ų14257.4 Ų57.476%0.75933%0.332SS*.THydrogen-bonded Turntrans-87.3-4.3-170.9-66.4-29.2000114.8G96G96-N98 PolarHBondContact O-N 3.24Å; G96-N98 VanDerWaalsContact O-N 3.07Å
99G70.4Confident76.9Confident29 Ų2958.8 Ų58.830%0.29934%0.339SS..  trans6592.4173.400000113.5S52S52-G99 WeakPolarHBondContact O-CA 3.33Å
100Q80.4Confident77.6Confident73 Ų7360.2 Ų60.234%0.34134%0.343SS..  trans-118.6149.7-178.7-73.2-165.42500113.2A51 S52 A94A51-Q100 HydrophobicContact CB-CB 4.46Å; A51-Q100 PolarHBondContact N-O 2.04Å; S52-Q100 PolarHBondContact OG-N 3.13Å; A94-Q100 VanDerWaalsContact CA-CD 3.42Å; A94-Q100 HydrophobicContact CB-CB 3.72Å; A94-Q100 HydrophobicContact CB-CG 4.04Å
101F84.9Confident78.8Confident101 Ų10160.5 Ų60.544%0.44334%0.344SS..EExtended strand (participates in β ladder)trans-128.1134.9-179.5-58.8-83.7000110.6V33 V48 L49 K50V33-F101 HydrophobicContact CG1-CD1 4.01Å; V33-F101 HydrophobicContact CG1-CE1 3.59Å; V48-F101 HydrophobicContact CG1-CB 3.94Å; V48-F101 HydrophobicContact CG1-CD1 3.86Å; V48-F101 HydrophobicContact CG1-CG 4.25Å; L49-F101 CarbonylContact O-C 3.51Å; L49-F101 VanDerWaalsContact O-CA 3.23Å; L49-F101 WeakPolarHBondContact O-CA 3.31Å; K50-F101 HydrophobicContact CB-CD1 3.95Å; K50-F101 HydrophobicContact CB-CE1 4Å; K50-F101 HydrophobicContact CD-CE1 3.78Å; K50-F101 HydrophobicContact CD-CZ 4.42Å; K50-F101 HydrophobicContact CG-CD1 4.02Å; K50-F101 HydrophobicContact CG-CE1 3.7Å; K50-F101 HydrophobicContact CG-CZ 4.47Å
102L86.6Confident80.3Confident24 Ų2463.1 Ų63.113%0.12636%0.36CS..EExtended strand (participates in β ladder)trans-104.7142.1172.6-58.5163.8000108.7V48 L49 F59 V88 Y104V48-L102 CarbonylContact C-O 3.51Å; V48-L102 WeakPolarHBondContact CA-O 3.42Å; L49-L102 HydrophobicContact CB-CB 4.26Å; L49-L102 PolarHBondContact N-O 2.87Å; L49-L102 PolarHBondContact O-N 2.93Å; F59-L102 HydrophobicContact CE2-CD1 3.57Å; F59-L102 HydrophobicContact CZ-CD1 4.14Å; V88-L102 HydrophobicContact CB-CD1 4.27Å; V88-L102 HydrophobicContact CG1-CD1 3.85Å; V88-L102 HydrophobicContact CG2-CD1 4.07Å; L102-Y104 HydrophobicContact CB-CE2 3.8Å
103K89.3Confident81.9Confident145 Ų14566.6 Ų66.663%0.6338%0.377SS*.EExtended strand (participates in β ladder)trans-126.3130.6-171.7-68.3179.3-175.91760109.4L46 V47 V48L46-K103 HydrophobicContact CD1-CB 4.07Å; L46-K103 HydrophobicContact CD2-CD 4.27Å; L46-K103 HydrophobicContact CD2-CG 4.42Å; V47-K103 WeakPolarHBondContact O-CA 3.39Å; V48-K103 HydrophobicContact CG2-CG 4.42Å
104Y91.6Very high83.5Confident47 Ų4764 Ų6418%0.18435%0.351CS..EExtended strand (participates in β ladder)trans-132.5139.3177.3-59.3-88.2000109L46 V47 L49 L102 V119 A120L46-Y104 CarbonylContact C-O 3.5Å; L46-Y104 WeakPolarHBondContact CA-O 3.44Å; L46-Y104 WeakPolarHBondContact CD1-O 3.28Å; V47-Y104 PolarHBondContact N-O 2.74Å; V47-Y104 PolarHBondContact O-N 3.34Å; L49-Y104 HydrophobicContact CD1-CD2 4.21Å; L49-Y104 HydrophobicContact CD1-CE2 3.69Å; L49-Y104 HydrophobicContact CG-CD2 4.23Å; L49-Y104 HydrophobicContact CG-CE2 4.06Å; L102-Y104 HydrophobicContact CB-CE2 3.8Å; Y104-V119 HydrophobicContact CD2-CG1 3.64Å; Y104-V119 HydrophobicContact CE2-CG1 4.17Å; Y104-V119 HydrophobicContact CG-CB 4.32Å; Y104-V119 HydrophobicContact CG-CG1 3.88Å; Y104-A120 HydrophobicContact CE1-CB 4.36Å; Y104-A120 HydrophobicContact CE2-CB 4.25Å
105S94.2Very high85.2Confident57 Ų5763.9 Ų63.940%0.39935%0.35SS..EExtended strand (participates in β ladder)trans-99.2139.5172.152.60000110.4T45T45-S105 WeakPolarHBondContact O-CA 3.42Å
106L94.9Very high86.6Confident0 Ų064.4 Ų64.40%035%0.352CS..EExtended strand (participates in β ladder)trans-111.1140.6163.9-56.5173.5000107.8I11 E44 T45 V47 F115 D116 G117 V119 V127I11-L106 HydrophobicContact CD1-CD1 3.58Å; E44-L106 CarbonylContact C-O 3.54Å; E44-L106 VanDerWaalsContact CA-O 3.28Å; E44-L106 WeakPolarHBondContact CA-O 3.36Å; T45-L106 HydrophobicContact CG2-CB 3.76Å; T45-L106 HydrophobicContact CG2-CD1 4.31Å; T45-L106 HydrophobicContact CG2-CG 4.44Å; T45-L106 PolarHBondContact N-O 3.27Å; T45-L106 PolarHBondContact O-N 2.96Å; V47-L106 HydrophobicContact CG2-CD1 4.01Å; V47-L106 HydrophobicContact CG2-CG 4.37Å; L106-F115 HydrophobicContact CB-CB 3.96Å; L106-F115 HydrophobicContact CD1-CB 4.49Å; L106-D116 CarbonylContact C-O 3.5Å; L106-D116 WeakPolarHBondContact CA-O 3.21Å; L106-D116 WeakPolarHBondContact CB-O 3.41Å; L106-G117 VanDerWaalsContact CD2-CA 3.47Å; L106-V119 HydrophobicContact CD2-CG2 3.93Å; L106-V119 HydrophobicContact CG-CG2 4.42Å; L106-V127 HydrophobicContact CD1-CG2 4.28Å
107T95Very high88.1Confident72 Ų7264.4 Ų64.444%0.44235%0.352SS..EExtended strand (participates in β ladder)trans-105.4145.2-175.3-52.10000109.8N109 F115 D116T107-N109 PolarHBondContact O-N 2.85Å; T107-F115 WeakPolarHBondContact O-CA 3.16Å; T107-D116 PolarHBondContact N-O 3.2Å; T107-D116 PolarHBondContact O-N 3.32Å
108C94.2Very high89.7Confident16 Ų1664 Ų6411%0.10835%0.347CS..EExtended strand (participates in β ladder)trans-66.5123.7176.2178.20000112C8 C43 F115C8-C108 HydrophobicContact CB-CB 3.7Å; C8-C108 WeakPolarHBondContact CB-SG 3.41Å; C8-C108 WeakPolarHBondContact SG-CA 3.41Å; C8-C108 WeakPolarHBondContact SG-CB 3.26Å; C8-C108 CovalentContact SG-SG 2Å; C8-C108 PolarHBondContact SG-SG 2.84Å; C43-C108 HydrophobicContact CB-CB 4.14Å; C43-C108 VanDerWaalsContact O-CB 3.23Å; C43-C108 WeakPolarHBondContact O-CB 3.47Å; C43-C108 PolarHBondContact O-N 2.71Å; C43-C108 WeakPolarHBondContact SG-CB 3.37Å; C43-C108 PolarHBondContact SG-SG 2.81Å; C108-F115 HydrophobicContact CB-CD1 4.39Å; C108-F115 HydrophobicContact CB-CE1 4.07Å
109N93.2Very high90.8Very high41 Ų4157.3 Ų57.322%0.21931%0.31CS..EExtended strand (participates in β ladder)trans-86.7115.1167.9-175.6-26.2000109.6T107 N111 T112 L113 R114 D116T107-N109 PolarHBondContact O-N 2.85Å; N109-N111 PolarHBondContact O-N 2.96Å; N109-N111 WeakPolarHBondContact OD1-CB 3.36Å; N109-N111 PolarHBondContact OD1-N 3.14Å; N109-N111 PolarHBondContact OD1-ND2 3.11Å; N109-T112 PolarHBondContact O-N 2.81Å; N109-L113 VanDerWaalsContact O-CA 3.31Å; N109-L113 WeakPolarHBondContact O-CA 3.26Å; N109-L113 PolarHBondContact O-N 2.94Å; N109-R114 WeakPolarHBondContact CB-O 3.25Å; N109-R114 PolarHBondContact N-O 2.84Å; N109-D116 WeakPolarHBondContact CB-OD2 3.41Å; N109-D116 PolarHBondContact ND2-OD2 3.18Å
110L90.4Very high91.6Very high121 Ų12156.5 Ų56.563%0.63430%0.301SS*.THydrogen-bonded Turntrans-72.9-12.8-176.6-61.3-179.3000114.2P7 L113P7-L110 HydrophobicContact CG-CD2 3.63Å; L110-L113 WeakPolarHBondContact O-CD2 3.45Å
111N91.4Very high92Very high153 Ų15356.4 Ų56.482%0.81832%0.32SS*.THydrogen-bonded Turntrans-82.4-36.5175.3-58.9-57.9000111.7N109N109-N111 PolarHBondContact O-N 2.96Å; N109-N111 WeakPolarHBondContact OD1-CB 3.36Å; N109-N111 PolarHBondContact OD1-N 3.14Å; N109-N111 PolarHBondContact OD1-ND2 3.11Å
112T92.1Very high92.3Very high56 Ų5652.7 Ų52.734%0.34431%0.305SS..THydrogen-bonded Turntrans-105.2-11.7-175.764.30000113.3N109 R114 N126N109-T112 PolarHBondContact O-N 2.81Å; T112-R114 PolarHBondContact O-N 3.42Å; T112-N126 WeakPolarHBondContact CB-OD1 3.34Å; T112-N126 VanDerWaalsContact CG2-OD1 3.26Å; T112-N126 WeakPolarHBondContact CG2-OD1 3.43Å; T112-N126 PolarHBondContact OG1-OD1 3.07Å
113L92.9Very high92.6Very high78 Ų7854.7 Ų54.741%0.40833%0.325SS..THydrogen-bonded Turntrans55.934.1-174.7-49-176.8000112.2P7 C8 T9 N109 L110P7-L113 HydrophobicContact CB-CD2 3.99Å; P7-L113 HydrophobicContact CG-CD2 3.98Å; C8-L113 WeakPolarHBondContact CA-O 3.47Å; T9-L113 PolarHBondContact N-O 2.76Å; N109-L113 VanDerWaalsContact O-CA 3.31Å; N109-L113 WeakPolarHBondContact O-CA 3.26Å; N109-L113 PolarHBondContact O-N 2.94Å; L110-L113 WeakPolarHBondContact O-CD2 3.45Å
114R94.3Very high92.8Very high55 Ų5547.9 Ų47.921%0.20830%0.296CS..EExtended strand (participates in β ladder)trans-132.7166.9178.2-66.9-66178.9169.1-1.5111.5C8 T77 N109 T112 N126C8-R114 VanDerWaalsContact SG-C 3.58Å; C8-R114 PolarHBondContact SG-N 2.94Å; C8-R114 PolarHBondContact SG-O 3.46Å; T77-R114 HydrophobicContact CG2-CG 3.7Å; N109-R114 WeakPolarHBondContact CB-O 3.25Å; N109-R114 PolarHBondContact N-O 2.84Å; T112-R114 PolarHBondContact O-N 3.42Å; R114-N126 HydrophobicContact CB-CB 4.41Å
115F94.9Very high92.9Very high0 Ų048.7 Ų48.70%031%0.306CS..EExtended strand (participates in β ladder)trans-90.4133.1-178.5-70.4-78.3000111.5C8 T9 I11 F38 T45 L106 T107 C108 V127C8-F115 HydrophobicContact CB-CD2 4.15Å; C8-F115 HydrophobicContact CB-CE1 4.15Å; C8-F115 HydrophobicContact CB-CE2 3.63Å; C8-F115 HydrophobicContact CB-CZ 3.62Å; T9-F115 WeakPolarHBondContact O-CD2 3.3Å; T9-F115 VanDerWaalsContact O-CE2 3.24Å; T9-F115 WeakPolarHBondContact O-CE2 3.46Å; I11-F115 HydrophobicContact CD1-CB 3.82Å; I11-F115 HydrophobicContact CD1-CD2 4.2Å; I11-F115 HydrophobicContact CD1-CG 4.21Å; I11-F115 HydrophobicContact CG1-CB 4.2Å; I11-F115 HydrophobicContact CG1-CD2 3.74Å; I11-F115 HydrophobicContact CG1-CG 4.26Å; F38-F115 HydrophobicContact CD2-CE2 4.29Å; F38-F115 AromaticContact CD2-CZ 3.66Å; F38-F115 HydrophobicContact CD2-CZ 3.66Å; F38-F115 HydrophobicContact CE2-CE2 4.38Å; F38-F115 AromaticContact CE2-CZ 3.62Å; F38-F115 HydrophobicContact CE2-CZ 3.62Å; T45-F115 HydrophobicContact CG2-CB 3.93Å; T45-F115 HydrophobicContact CG2-CD1 3.48Å; T45-F115 VanDerWaalsContact CG2-CD1 3.48Å; T45-F115 HydrophobicContact CG2-CD2 3.89Å; T45-F115 HydrophobicContact CG2-CE1 3.91Å; T45-F115 HydrophobicContact CG2-CE2 4.25Å; T45-F115 HydrophobicContact CG2-CG 3.47Å; T45-F115 VanDerWaalsContact CG2-CG 3.47Å; T45-F115 HydrophobicContact CG2-CZ 4.27Å; L106-F115 HydrophobicContact CB-CB 3.96Å; L106-F115 HydrophobicContact CD1-CB 4.49Å; T107-F115 WeakPolarHBondContact O-CA 3.16Å; C108-F115 HydrophobicContact CB-CD1 4.39Å; C108-F115 HydrophobicContact CB-CE1 4.07Å; F115-V127 WeakPolarHBondContact O-CG2 3.23Å; F115-V127 PolarHBondContact O-N 3.34Å; F115-V127 VanDerWaalsContact O-N 3.09Å
116D95.8Very high93Very high33 Ų3347.9 Ų47.918%0.17630%0.297CS..EExtended strand (participates in β ladder)trans-126.9157.4177.4-61.6-12.4000109.6L106 T107 N109 M124 T125 N126L106-D116 CarbonylContact C-O 3.5Å; L106-D116 WeakPolarHBondContact CA-O 3.21Å; L106-D116 WeakPolarHBondContact CB-O 3.41Å; T107-D116 PolarHBondContact N-O 3.2Å; T107-D116 PolarHBondContact O-N 3.32Å; N109-D116 WeakPolarHBondContact CB-OD2 3.41Å; N109-D116 PolarHBondContact ND2-OD2 3.18Å; D116-M124 VanDerWaalsContact CA-O 3.32Å; D116-M124 WeakPolarHBondContact CA-O 3.44Å; D116-T125 VanDerWaalsContact OD1-CA 3.25Å; D116-T125 WeakPolarHBondContact OD1-CA 2.93Å; D116-N126 PolarHBondContact OD1-N 3.25Å
117G94.6Very high92.9Very high27 Ų2747.9 Ų47.928%0.27830%0.297SS..EExtended strand (participates in β ladder)trans157.7-155175.700000112.6L106 A123 M124L106-G117 VanDerWaalsContact CD2-CA 3.47Å; G117-A123 WeakPolarHBondContact O-CA 2.96Å; G117-M124 PolarHBondContact N-O 3.38Å; G117-M124 PolarHBondContact O-N 2.9Å
118T94.1Very high92.9Very high75 Ų7546.1 Ų46.146%0.4629%0.286SS..EExtended strand (participates in β ladder)trans-134.9128-179.1-60.20000110.3V122T118-V122 VanDerWaalsContact CA-O 3.31Å; T118-V122 WeakPolarHBondContact CA-O 3.43Å
119V91.1Very high92.8Very high0 Ų046 Ų460%029%0.286CS..EExtended strand (participates in β ladder)trans-117.9116.4176.5-178.40000107.9V47 L49 I72 Y104 L106 G121 V122 M124V47-V119 HydrophobicContact CB-CG2 4.48Å; V47-V119 HydrophobicContact CG1-CG1 4.28Å; V47-V119 HydrophobicContact CG2-CG2 4.48Å; L49-V119 HydrophobicContact CD1-CG1 4.07Å; L49-V119 HydrophobicContact CD2-CG1 4.33Å; L49-V119 HydrophobicContact CG-CG1 4.45Å; I72-V119 HydrophobicContact CD1-CB 3.87Å; I72-V119 HydrophobicContact CD1-CG1 3.65Å; Y104-V119 HydrophobicContact CD2-CG1 3.64Å; Y104-V119 HydrophobicContact CE2-CG1 4.17Å; Y104-V119 HydrophobicContact CG-CB 4.32Å; Y104-V119 HydrophobicContact CG-CG1 3.88Å; L106-V119 HydrophobicContact CD2-CG2 3.93Å; L106-V119 HydrophobicContact CG-CG2 4.42Å; V119-G121 PolarHBondContact O-N 3.05Å; V119-G121 VanDerWaalsContact O-N 3.14Å; V119-V122 PolarHBondContact N-O 3.29Å; V119-V122 WeakPolarHBondContact O-CB 3.42Å; V119-V122 PolarHBondContact O-N 2.91Å; V119-M124 HydrophobicContact CB-CE 3.65Å; V119-M124 HydrophobicContact CB-SD 4.19Å; V119-M124 HydrophobicContact CG1-CE 4.41Å; V119-M124 HydrophobicContact CG2-CE 3.86Å; V119-M124 HydrophobicContact CG2-SD 3.72Å
120A88.1Confident92.8Very high13 Ų1344.4 Ų44.411%0.10728%0.276CS..THydrogen-bonded Turntrans47.742.3-18000000113.9L49 I86 Y104 V122L49-A120 HydrophobicContact CD1-CB 4.33Å; I86-A120 HydrophobicContact CB-CB 3.91Å; I86-A120 HydrophobicContact CD1-CB 3.66Å; I86-A120 HydrophobicContact CG1-CB 4.41Å; I86-A120 HydrophobicContact CG2-CB 4Å; Y104-A120 HydrophobicContact CE1-CB 4.36Å; Y104-A120 HydrophobicContact CE2-CB 4.25Å; A120-V122 VanDerWaalsContact C-N 3.33Å; A120-V122 PolarHBondContact O-N 2.84Å
121G88.3Confident92.9Very high71 Ų7138.6 Ų38.673%0.73225%0.246SC*.THydrogen-bonded Turntrans86.2-9.1-179.500000115.5V119V119-G121 PolarHBondContact O-N 3.05Å; V119-G121 VanDerWaalsContact O-N 3.14Å
122V90.6Very high92.8Very high22 Ų2231.4 Ų31.413%0.13321%0.208CC..EExtended strand (participates in β ladder)trans-89.8114.7177.3-1790000109.6I72 Y74 I86 T118 V119 A120 M124I72-V122 HydrophobicContact CD1-CB 4.16Å; I72-V122 HydrophobicContact CD1-CG2 4.14Å; I72-V122 HydrophobicContact CG1-CG2 4.44Å; Y74-V122 HydrophobicContact CE1-CG1 4.42Å; I86-V122 HydrophobicContact CG2-CG2 3.5Å; T118-V122 VanDerWaalsContact CA-O 3.31Å; T118-V122 WeakPolarHBondContact CA-O 3.43Å; V119-V122 PolarHBondContact N-O 3.29Å; V119-V122 WeakPolarHBondContact O-CB 3.42Å; V119-V122 PolarHBondContact O-N 2.91Å; A120-V122 VanDerWaalsContact C-N 3.33Å; A120-V122 PolarHBondContact O-N 2.84Å; V122-M124 HydrophobicContact CB-CE 4.26Å; V122-M124 HydrophobicContact CG1-CE 4.08Å; V122-M124 HydrophobicContact CG1-CG 4.36Å
123A93.9Very high92.5Very high67 Ų6728.7 Ų28.755%0.55419%0.191SC*.EExtended strand (participates in β ladder)trans-70.3129.6172.600000110.2G117G117-A123 WeakPolarHBondContact O-CA 2.96Å
124M93.5Very high91.9Very high1 Ų131.2 Ų31.21%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-124.8138.2-178.7-57.6-177.4179.100109.9I72 Y74 D116 G117 V119 V122 V127 F130I72-M124 HydrophobicContact CD1-CE 3.4Å; I72-M124 VanDerWaalsContact CD1-CE 3.4Å; I72-M124 HydrophobicContact CG1-CE 4.07Å; Y74-M124 HydrophobicContact CD1-CB 4.48Å; Y74-M124 HydrophobicContact CD1-CE 3.97Å; Y74-M124 HydrophobicContact CD1-CG 3.78Å; Y74-M124 HydrophobicContact CD1-SD 4Å; Y74-M124 HydrophobicContact CD2-CB 4.48Å; Y74-M124 HydrophobicContact CE1-CB 4.33Å; Y74-M124 HydrophobicContact CE1-CG 3.77Å; Y74-M124 HydrophobicContact CE2-CB 4.32Å; Y74-M124 HydrophobicContact CG-CG 4.2Å; Y74-M124 HydrophobicContact CG-SD 4.16Å; D116-M124 VanDerWaalsContact CA-O 3.32Å; D116-M124 WeakPolarHBondContact CA-O 3.44Å; G117-M124 PolarHBondContact N-O 3.38Å; G117-M124 PolarHBondContact O-N 2.9Å; V119-M124 HydrophobicContact CB-CE 3.65Å; V119-M124 HydrophobicContact CB-SD 4.19Å; V119-M124 HydrophobicContact CG1-CE 4.41Å; V119-M124 HydrophobicContact CG2-CE 3.86Å; V119-M124 HydrophobicContact CG2-SD 3.72Å; V122-M124 HydrophobicContact CB-CE 4.26Å; V122-M124 HydrophobicContact CG1-CE 4.08Å; V122-M124 HydrophobicContact CG1-CG 4.36Å; M124-V127 HydrophobicContact CB-CG2 3.58Å; M124-V127 HydrophobicContact SD-CG2 4.44Å; M124-F130 HydrophobicContact CE-CD2 4.25Å; M124-F130 HydrophobicContact CE-CE2 3.81Å; M124-F130 HydrophobicContact SD-CD2 4.24Å; M124-F130 HydrophobicContact SD-CE2 4.33Å
125T94.6Very high91.7Very high64 Ų6430.1 Ų30.139%0.39320%0.196SC..EExtended strand (participates in β ladder)trans-136.5143.2179.457.90000110.2D116 V127D116-T125 VanDerWaalsContact OD1-CA 3.25Å; D116-T125 WeakPolarHBondContact OD1-CA 2.93Å; T125-V127 VanDerWaalsContact C-N 3.3Å; T125-V127 PolarHBondContact O-N 2.97Å
126N94.4Very high91.6Very high40 Ų4031.6 Ų31.621%0.21421%0.206CC..EExtended strand (participates in β ladder)trans55.641.5177.6-63.8-46.4000113.5D76 T77 T112 R114 D116 V128D76-N126 CarbonylContact C-O 3.56Å; D76-N126 VanDerWaalsContact CA-O 3.28Å; D76-N126 WeakPolarHBondContact CA-O 3.09Å; T77-N126 HydrophobicContact CG2-CB 4.04Å; T77-N126 PolarHBondContact N-O 3.43Å; T77-N126 VanDerWaalsContact N-O 3.08Å; T77-N126 WeakPolarHBondContact OG1-CB 3.41Å; T112-N126 WeakPolarHBondContact CB-OD1 3.34Å; T112-N126 VanDerWaalsContact CG2-OD1 3.26Å; T112-N126 WeakPolarHBondContact CG2-OD1 3.43Å; T112-N126 PolarHBondContact OG1-OD1 3.07Å; R114-N126 HydrophobicContact CB-CB 4.41Å; D116-N126 PolarHBondContact OD1-N 3.25Å; N126-V128 PolarHBondContact O-N 2.75Å
127V93.8Very high91.3Very high0 Ų031.6 Ų31.60%021%0.208CC..EExtended strand (participates in β ladder)trans-68.8130.2-171.6-173.20000111.7I11 Y74 L106 F115 M124 T125I11-V127 HydrophobicContact CD1-CB 3.9Å; I11-V127 HydrophobicContact CD1-CG1 3.69Å; I11-V127 HydrophobicContact CG1-CB 4.39Å; I11-V127 HydrophobicContact CG1-CG1 4.16Å; I11-V127 HydrophobicContact CG2-CG1 3.95Å; Y74-V127 HydrophobicContact CD2-CG2 3.99Å; L106-V127 HydrophobicContact CD1-CG2 4.28Å; F115-V127 WeakPolarHBondContact O-CG2 3.23Å; F115-V127 PolarHBondContact O-N 3.34Å; F115-V127 VanDerWaalsContact O-N 3.09Å; M124-V127 HydrophobicContact CB-CG2 3.58Å; M124-V127 HydrophobicContact SD-CG2 4.44Å; T125-V127 VanDerWaalsContact C-N 3.3Å; T125-V127 PolarHBondContact O-N 2.97Å
128V94.2Very high91.2Very high36 Ų3631.8 Ų31.822%0.21820%0.203CC..EExtended strand (participates in β ladder)trans-109.4-45.4176.7178.20000111.1T12 I75 T77 N126T12-V128 PolarHBondContact N-O 3.48Å; T12-V128 PolarHBondContact OG1-O 2.95Å; I75-V128 WeakPolarHBondContact O-CB 3.32Å; I75-V128 PolarHBondContact O-N 3.38Å; T77-V128 HydrophobicContact CG2-CG2 3.78Å; N126-V128 PolarHBondContact O-N 2.75Å
129S93.3Very high91Very high14 Ų1429.1 Ų29.110%0.09819%0.187CC..EExtended strand (participates in β ladder)trans-137.2148.6-179.9-51.30000110.5T12 Y74 I75T12-S129 CarbonylContact O-C 3.52Å; T12-S129 WeakPolarHBondContact O-CA 3.47Å; T12-S129 PolarHBondContact OG1-OG 3.28Å; Y74-S129 CarbonylContact C-O 3.56Å; Y74-S129 WeakPolarHBondContact CA-O 3.3Å; Y74-S129 WeakPolarHBondContact CB-O 3.26Å; I75-S129 PolarHBondContact N-O 2.81Å; I75-S129 PolarHBondContact O-N 3.36Å
130F93.4Very high91Very high6 Ų631.1 Ų31.13%0.02620%0.2CC..EExtended strand (participates in β ladder)trans-135.1145.1-179.3177.7-91.3000111.4I11 T12 V13 I14 S32 P36 V47 L49 I72 G73 M124I11-F130 HydrophobicContact CG2-CB 3.9Å; T12-F130 PolarHBondContact O-N 3.24Å; V13-F130 WeakPolarHBondContact CA-O 3.12Å; I14-F130 PolarHBondContact N-O 3.44Å; S32-F130 PolarHBondContact OG-O 2.78Å; P36-F130 HydrophobicContact CG-CB 4.25Å; V47-F130 HydrophobicContact CG1-CD1 3.67Å; V47-F130 HydrophobicContact CG1-CD2 4.41Å; V47-F130 HydrophobicContact CG1-CE1 3.25Å; V47-F130 HydrophobicContact CG1-CE2 4.06Å; V47-F130 HydrophobicContact CG1-CG 4.25Å; V47-F130 HydrophobicContact CG1-CZ 3.49Å; V47-F130 VanDerWaalsContact CG1-CZ 3.49Å; L49-F130 HydrophobicContact CD2-CE1 3.81Å; L49-F130 HydrophobicContact CD2-CZ 3.55Å; I72-F130 HydrophobicContact CB-CE2 3.99Å; I72-F130 HydrophobicContact CB-CZ 3.94Å; I72-F130 HydrophobicContact CD1-CE2 4.31Å; I72-F130 HydrophobicContact CG2-CZ 4.01Å; G73-F130 WeakPolarHBondContact O-CD2 3.39Å; M124-F130 HydrophobicContact CE-CD2 4.25Å; M124-F130 HydrophobicContact CE-CE2 3.81Å; M124-F130 HydrophobicContact SD-CD2 4.24Å; M124-F130 HydrophobicContact SD-CE2 4.33Å
131A91.4Very high91.2Very high0 Ų032.4 Ų32.40%021%0.207CC..EExtended strand (participates in β ladder)trans-147.5150.8162.900000112.8I14 P30 S32 I72 G73 Y133I14-A131 HydrophobicContact CB-CB 3.71Å; I14-A131 HydrophobicContact CD1-CB 4.29Å; I14-A131 HydrophobicContact CG1-CB 4.29Å; P30-A131 HydrophobicContact CB-CB 4.14Å; S32-A131 VanDerWaalsContact OG-CA 3.28Å; S32-A131 WeakPolarHBondContact OG-CA 3.39Å; S32-A131 WeakPolarHBondContact OG-CB 3.05Å; I72-A131 CarbonylContact C-O 3.56Å; I72-A131 WeakPolarHBondContact CA-O 3.41Å; G73-A131 PolarHBondContact N-O 3.05Å; G73-A131 PolarHBondContact O-N 3.47Å; G73-A131 VanDerWaalsContact O-O 3.12Å; A131-Y133 HydrophobicContact CB-CE2 4.26Å
132Q89.7Confident91.4Very high1 Ų129.4 Ų29.41%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-82.3160.2156.3163.6-179.613.700108F31 L49 K50 F59 I72F31-Q132 CarbonylContact C-O 3.52Å; F31-Q132 VanDerWaalsContact C-O 3.28Å; F31-Q132 WeakPolarHBondContact CA-O 3.43Å; F31-Q132 PolarHBondContact N-O 3.34Å; F31-Q132 CarbonylContact O-C 3.55Å; F31-Q132 VanDerWaalsContact O-C 3.29Å; F31-Q132 WeakPolarHBondContact O-CA 3.27Å; F31-Q132 WeakPolarHBondContact O-CB 3.34Å; F31-Q132 PolarHBondContact O-N 2.69Å; L49-Q132 HydrophobicContact CD2-CB 4.3Å; K50-Q132 PolarHBondContact O-NE2 3.45Å; K50-Q132 PolarHBondContact O-OE1 3.07Å; F59-Q132 VanDerWaalsContact CE1-NE2 3.28Å; I72-Q132 HydrophobicContact CG2-CB 4.44Å
133Y86.2Confident91.4Very high0 Ų030 Ų300%017%0.169CC..EExtended strand (participates in β ladder)trans-120.7151.2175.3-68.6-104.4000110.1N19 C21 N29 P30 S71 Q83 A131N19-Y133 PolarHBondContact OD1-OH 2.78Å; N19-Y133 VanDerWaalsContact OD1-OH 3.1Å; C21-Y133 PolarHBondContact SG-OH 3.43Å; C21-Y133 VanDerWaalsContact SG-OH 3.41Å; N29-Y133 CarbonylContact O-C 3.29Å; N29-Y133 VanDerWaalsContact O-CA 3.25Å; N29-Y133 WeakPolarHBondContact O-CA 3.27Å; P30-Y133 HydrophobicContact CB-CD1 4.27Å; P30-Y133 HydrophobicContact CB-CE1 3.85Å; P30-Y133 HydrophobicContact CG-CE1 4.5Å; S71-Y133 PolarHBondContact O-N 2.86Å; Q83-Y133 HydrophobicContact CG-CD2 4.28Å; Q83-Y133 HydrophobicContact CG-CE2 4.26Å; A131-Y133 HydrophobicContact CB-CE2 4.26Å
134Y79Confident91.2Very high131 Ų13126.6 Ų26.651%0.51413%0.134SC..  trans-136.80175.291-77.6000112.7H27 N29 F31 F58H27-Y134 WeakPolarHBondContact ND1-CA 3.43Å; H27-Y134 PolarHBondContact ND1-OXT 3.44Å; N29-Y134 HydrophobicContact CB-CD1 3.95Å; N29-Y134 HydrophobicContact CB-CE1 3.68Å; N29-Y134 WeakPolarHBondContact CB-O 3.31Å; N29-Y134 PolarHBondContact N-O 3.33Å; N29-Y134 PolarHBondContact O-N 3.03Å; F31-Y134 HydrophobicContact CB-CD1 3.48Å; F31-Y134 VanDerWaalsContact CB-CD1 3.48Å; F31-Y134 HydrophobicContact CB-CE1 4.16Å; F31-Y134 HydrophobicContact CB-CG 4.34Å; F31-Y134 HydrophobicContact CG-CD1 4.19Å; F58-Y134 HydrophobicContact CD1-CG 4.26Å

Retrieved 134 of 134 residues in 95.1 ms (Link to these results)