RL21_STAAM Loading...

Large ribosomal subunit protein bL21

This protein binds to 23S rRNA in the presence of protein L20.

AlphaFold DB (Q2FXS8), UniProt , Accession Q99TK6, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene rplU, Length 102 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
1M88.2Confident93.2Very high116 Ų11660.6 Ų60.657%0.57135%0.346SS*.  0139.10-172.615182.700108V41 G42 I100M1-V41 HydrophobicContact CG-CG1 4.29Å; M1-V41 HydrophobicContact SD-CG1 4.4Å; M1-G42 CarbonylContact C-O 3.57Å; M1-G42 WeakPolarHBondContact CA-O 3.26Å; M1-G42 WeakPolarHBondContact CG-O 3.39Å; M1-I100 HydrophobicContact CE-CB 4.03Å; M1-I100 HydrophobicContact CE-CG2 4.14Å; M1-I100 WeakPolarHBondContact CE-O 3.37Å
2F93.5Very high93.3Very high59 Ų5959.7 Ų59.726%0.25934%0.338SS..EExtended strand (participates in β ladder)trans-134.9157.4177.972-93.2000110.7K13 V14 E15 F40 G42F2-K13 HydrophobicContact CB-CG 4.4Å; F2-K13 HydrophobicContact CD2-CD 4.11Å; F2-K13 HydrophobicContact CD2-CG 3.88Å; F2-K13 HydrophobicContact CG-CD 4.47Å; F2-K13 HydrophobicContact CG-CG 4.43Å; F2-V14 CarbonylContact C-O 3.52Å; F2-V14 WeakPolarHBondContact CA-O 3.41Å; F2-V14 WeakPolarHBondContact CB-O 3.25Å; F2-E15 HydrophobicContact CB-CG 3.64Å; F2-F40 HydrophobicContact CD2-CD1 4.43Å; F2-F40 HydrophobicContact CD2-CE1 4.41Å; F2-F40 AromaticContact CE2-CD1 3.71Å; F2-F40 HydrophobicContact CE2-CD1 3.71Å; F2-F40 AromaticContact CE2-CE1 3.43Å; F2-F40 HydrophobicContact CE2-CE1 3.43Å; F2-F40 VanDerWaalsContact CE2-CE1 3.43Å; F2-F40 HydrophobicContact CZ-CD1 4.31Å; F2-F40 AromaticContact CZ-CE1 3.55Å; F2-F40 HydrophobicContact CZ-CE1 3.55Å; F2-F40 HydrophobicContact CZ-CZ 4.44Å; F2-G42 PolarHBondContact N-O 3.38Å; F2-G42 PolarHBondContact O-N 2.89Å
3A94.4Very high93.5Very high0 Ų062.8 Ų62.80%035%0.346CS..EExtended strand (participates in β ladder)trans-130.6158.1173.500000110.8K13 V14 V38 F40 V58 I100A3-K13 CarbonylContact O-C 3.53Å; A3-K13 WeakPolarHBondContact O-CA 3.35Å; A3-V14 HydrophobicContact CB-CG2 3.89Å; A3-V14 PolarHBondContact N-O 2.67Å; A3-V14 WeakPolarHBondContact O-CG2 3.48Å; A3-V14 PolarHBondContact O-N 2.94Å; A3-V38 HydrophobicContact CB-CG1 4.03Å; A3-F40 CarbonylContact C-O 3.51Å; A3-F40 WeakPolarHBondContact CA-O 3.38Å; A3-V58 HydrophobicContact CB-CG2 3.92Å; A3-I100 HydrophobicContact CB-CD1 4.17Å; A3-I100 HydrophobicContact CB-CG2 3.92Å
4I95Very high93.6Very high48 Ų4858.4 Ų58.425%0.24632%0.321CS..EExtended strand (participates in β ladder)trans-109.4116.3166.2-56.9179.6000107.1Q11 I12 L39 F40I4-Q11 HydrophobicContact CG2-CB 3.97Å; I4-I12 WeakPolarHBondContact CA-O 3.16Å; I4-L39 HydrophobicContact CG2-CD1 4.41Å; I4-L39 PolarHBondContact O-N 3.12Å; I4-F40 HydrophobicContact CB-CB 4Å; I4-F40 HydrophobicContact CD1-CB 4.04Å; I4-F40 HydrophobicContact CD1-CD1 4.29Å; I4-F40 HydrophobicContact CD1-CG 4.29Å; I4-F40 HydrophobicContact CG1-CB 4.05Å; I4-F40 HydrophobicContact CG1-CD1 4.31Å; I4-F40 PolarHBondContact N-O 2.96Å
5I94.8Very high93.7Very high0 Ų060 Ų600%033%0.326CS..EExtended strand (participates in β ladder)trans-106.9148.7179.560.8170.5000110.8Q11 I12 V14 I20 F35 K37 V38 V58I5-Q11 VanDerWaalsContact O-CA 3.32Å; I5-Q11 WeakPolarHBondContact O-CA 3.5Å; I5-I12 PolarHBondContact N-O 2.8Å; I5-I12 PolarHBondContact O-N 2.84Å; I5-V14 HydrophobicContact CD1-CG1 3.77Å; I5-V14 HydrophobicContact CD1-CG2 4.41Å; I5-V14 HydrophobicContact CG1-CG1 3.96Å; I5-V14 HydrophobicContact CG1-CG2 4.28Å; I5-V14 HydrophobicContact CG2-CG2 3.98Å; I5-I20 HydrophobicContact CD1-CD1 4.21Å; I5-F35 HydrophobicContact CD1-CD1 4.03Å; I5-F35 HydrophobicContact CD1-CD2 3.81Å; I5-F35 HydrophobicContact CD1-CE1 4.12Å; I5-F35 HydrophobicContact CD1-CE2 3.89Å; I5-F35 HydrophobicContact CD1-CG 3.88Å; I5-F35 HydrophobicContact CD1-CZ 4.04Å; I5-F35 HydrophobicContact CG2-CB 4.33Å; I5-K37 WeakPolarHBondContact CA-O 3.46Å; I5-V38 HydrophobicContact CG2-CG2 4.29Å; I5-V58 HydrophobicContact CG2-CB 4.02Å; I5-V58 HydrophobicContact CG2-CG2 3.64Å
6E94.6Very high93.8Very high65 Ų6562.1 Ų62.130%0.30433%0.332SS..EExtended strand (participates in β ladder)trans-93.2124.1168.5-169-173.3123.900110.2K10 K37 L39E6-K10 CarbonylContact C-O 3.58Å; E6-K10 WeakPolarHBondContact CA-O 3.29Å; E6-K37 HydrophobicContact CB-CB 3.97Å; E6-K37 HydrophobicContact CB-CD 4.17Å; E6-K37 HydrophobicContact CG-CD 4.43Å; E6-K37 PolarHBondContact N-O 2.88Å; E6-K37 IonicContact OE1-NZ 2.72Å; E6-K37 PolarHBondContact OE1-NZ 3.42Å; E6-L39 HydrophobicContact CB-CD1 4.29Å
7T93.6Very high93.8Very high11 Ų1161.8 Ų61.87%0.06735%0.348CS..EExtended strand (participates in β ladder)trans-146.6132.1177.5-178.20000111.4G9 K10 I12 V22T7-G9 PolarHBondContact O-N 3.49Å; T7-G9 VanDerWaalsContact O-N 3.11Å; T7-K10 PolarHBondContact N-O 2.77Å; T7-K10 PolarHBondContact O-N 2.84Å; T7-K10 VanDerWaalsContact O-O 3.1Å; T7-I12 HydrophobicContact CG2-CD1 3.48Å; T7-I12 VanDerWaalsContact CG2-CD1 3.48Å; T7-I12 HydrophobicContact CG2-CG1 3.96Å; T7-V22 HydrophobicContact CG2-CB 4.29Å; T7-V22 HydrophobicContact CG2-CG1 3.71Å
8G86.6Confident93.9Very high45 Ų4562.7 Ų62.746%0.46435%0.349SS..THydrogen-bonded Turntrans5432.7178.300000114.6K10G8-K10 VanDerWaalsContact C-N 3.31Å; G8-K10 PolarHBondContact O-N 2.73Å
9G92.5Very high94Very high75 Ų7564.5 Ų64.577%0.77335%0.354SS*.THydrogen-bonded Turntrans75.313.3-176.500000115.1T7T7-G9 PolarHBondContact O-N 3.49Å; T7-G9 VanDerWaalsContact O-N 3.11Å
10K95.6Very high94.1Very high115 Ų11561.7 Ų61.750%0.534%0.339SS..EExtended strand (participates in β ladder)trans-123.9159177.1-61169.3-1641450110E6 T7 G8 E23E6-K10 CarbonylContact C-O 3.58Å; E6-K10 WeakPolarHBondContact CA-O 3.29Å; T7-K10 PolarHBondContact N-O 2.77Å; T7-K10 PolarHBondContact O-N 2.84Å; T7-K10 VanDerWaalsContact O-O 3.1Å; G8-K10 VanDerWaalsContact C-N 3.31Å; G8-K10 PolarHBondContact O-N 2.73Å; K10-E23 IonicContact NZ-OE1 2.83Å; K10-E23 PolarHBondContact NZ-OE1 2.92Å
11Q95.8Very high94.1Very high133 Ų13364.6 Ų64.662%0.62135%0.348SS*.EExtended strand (participates in β ladder)trans-107.7135.2172.5-63.7177.11.600109.5I4 I5 L39I4-Q11 HydrophobicContact CG2-CB 3.97Å; I5-Q11 VanDerWaalsContact O-CA 3.32Å; I5-Q11 WeakPolarHBondContact O-CA 3.5Å; Q11-L39 HydrophobicContact CG-CD1 3.61Å
12I95.4Very high94.5Very high49 Ų4959.5 Ų59.525%0.25132%0.324SS..EExtended strand (participates in β ladder)trans-134135-178.8-44.8179.6000108.7I4 I5 T7 V22I4-I12 WeakPolarHBondContact CA-O 3.16Å; I5-I12 PolarHBondContact N-O 2.8Å; I5-I12 PolarHBondContact O-N 2.84Å; T7-I12 HydrophobicContact CG2-CD1 3.48Å; T7-I12 VanDerWaalsContact CG2-CD1 3.48Å; T7-I12 HydrophobicContact CG2-CG1 3.96Å; I12-V22 HydrophobicContact CD1-CG1 4.11Å
13K95.1Very high94.6Very high101 Ų10160.1 Ų60.144%0.43933%0.327SS..EExtended strand (participates in β ladder)trans-76.6131.5169-172.9-170.6174.1-1520109.1F2 A3 E15F2-K13 HydrophobicContact CB-CG 4.4Å; F2-K13 HydrophobicContact CD2-CD 4.11Å; F2-K13 HydrophobicContact CD2-CG 3.88Å; F2-K13 HydrophobicContact CG-CD 4.47Å; F2-K13 HydrophobicContact CG-CG 4.43Å; A3-K13 CarbonylContact O-C 3.53Å; A3-K13 WeakPolarHBondContact O-CA 3.35Å; K13-E15 WeakPolarHBondContact CE-OE1 3.48Å; K13-E15 IonicContact NZ-OE1 2.72Å; K13-E15 PolarHBondContact NZ-OE1 2.65Å
14V95.8Very high94.5Very high0 Ų065.4 Ų65.40%035%0.35CS..EExtended strand (participates in β ladder)trans-129.6144.7-178.7-66.60000111.3F2 A3 I5 I20 V58 I97F2-V14 CarbonylContact C-O 3.52Å; F2-V14 WeakPolarHBondContact CA-O 3.41Å; F2-V14 WeakPolarHBondContact CB-O 3.25Å; A3-V14 HydrophobicContact CB-CG2 3.89Å; A3-V14 PolarHBondContact N-O 2.67Å; A3-V14 WeakPolarHBondContact O-CG2 3.48Å; A3-V14 PolarHBondContact O-N 2.94Å; I5-V14 HydrophobicContact CD1-CG1 3.77Å; I5-V14 HydrophobicContact CD1-CG2 4.41Å; I5-V14 HydrophobicContact CG1-CG1 3.96Å; I5-V14 HydrophobicContact CG1-CG2 4.28Å; I5-V14 HydrophobicContact CG2-CG2 3.98Å; V14-I20 HydrophobicContact CG1-CD1 3.92Å; V14-I20 HydrophobicContact CG1-CG2 4.12Å; V14-V58 HydrophobicContact CG2-CG1 4.31Å; V14-V58 HydrophobicContact CG2-CG2 4.42Å; V14-I97 HydrophobicContact CB-CD1 4.21Å; V14-I97 HydrophobicContact CB-CG1 4.04Å; V14-I97 HydrophobicContact CG1-CD1 4.06Å; V14-I97 HydrophobicContact CG1-CG1 4.23Å
15E95.1Very high94.5Very high83 Ų8364.4 Ų64.439%0.38835%0.346SS..EExtended strand (participates in β ladder)trans-127.9151.6174.3-70.1175.2-168.700109.3F2 K13 G17 Q18 I97F2-E15 HydrophobicContact CB-CG 3.64Å; K13-E15 WeakPolarHBondContact CE-OE1 3.48Å; K13-E15 IonicContact NZ-OE1 2.72Å; K13-E15 PolarHBondContact NZ-OE1 2.65Å; E15-G17 PolarHBondContact O-N 2.72Å; E15-Q18 HydrophobicContact CB-CB 4.45Å; E15-Q18 VanDerWaalsContact N-OE1 3.11Å; E15-Q18 WeakPolarHBondContact O-CB 3.24Å; E15-Q18 PolarHBondContact O-N 2.64Å; E15-Q18 VanDerWaalsContact O-N 3.12Å; E15-I97 VanDerWaalsContact O-CB 3.32Å; E15-I97 WeakPolarHBondContact O-CB 3.22Å
16E94.5Very high94.3Very high93 Ų9371.4 Ų71.444%0.43538%0.383SS..THydrogen-bonded Turntrans-61.1135.9177.7-64.6-179.2159.200110.9Q18 I100E16-Q18 VanDerWaalsContact C-N 3.26Å; E16-Q18 PolarHBondContact O-N 2.93Å; E16-I100 HydrophobicContact CG-CB 4.28Å; E16-I100 HydrophobicContact CG-CD1 3.97Å; E16-I100 HydrophobicContact CG-CG1 3.79Å; E16-I100 PolarHBondContact OE1-N 3.2Å
17G94.7Very high94.2Very high58 Ų5869.6 Ų69.660%0.59838%0.376SS*.THydrogen-bonded Turntrans79.7-4.6-174.300000115.1E15 I97E15-G17 PolarHBondContact O-N 2.72Å; G17-I97 WeakPolarHBondContact CA-O 3.07Å; G17-I97 PolarHBondContact N-O 2.82Å
18Q95.5Very high94.1Very high78 Ų7874.7 Ų74.736%0.36440%0.403SS..  trans-77137.4-179.6-170.6-175.7-6.400111.8E15 E16 I20 T96 I97E15-Q18 HydrophobicContact CB-CB 4.45Å; E15-Q18 VanDerWaalsContact N-OE1 3.11Å; E15-Q18 WeakPolarHBondContact O-CB 3.24Å; E15-Q18 PolarHBondContact O-N 2.64Å; E15-Q18 VanDerWaalsContact O-N 3.12Å; E16-Q18 VanDerWaalsContact C-N 3.26Å; E16-Q18 PolarHBondContact O-N 2.93Å; Q18-I20 HydrophobicContact CG-CG2 4.24Å; Q18-T96 WeakPolarHBondContact O-CA 3.4Å; Q18-I97 PolarHBondContact O-N 3.45Å
19E95.7Very high94.3Very high97 Ų9777.8 Ų77.845%0.45341%0.405SS..EExtended strand (participates in β ladder)trans-85.1127.8166.8-63.1-169.8127.900111.2N63 K94 L95E19-N63 PolarHBondContact OE1-ND2 2.84Å; E19-K94 VanDerWaalsContact OE1-CE 3.25Å; E19-K94 WeakPolarHBondContact OE1-CE 3.5Å; E19-K94 IonicContact OE1-NZ 2.73Å; E19-K94 PolarHBondContact OE1-NZ 3.26Å; E19-K94 WeakPolarHBondContact OE2-CE 3.3Å; E19-K94 IonicContact OE2-NZ 2.67Å; E19-K94 PolarHBondContact OE2-NZ 2.72Å; E19-L95 CarbonylContact C-O 3.58Å; E19-L95 VanDerWaalsContact CA-O 3.3Å; E19-L95 WeakPolarHBondContact CA-O 3.13Å
20I95.3Very high94.3Very high8 Ų876.9 Ų76.94%0.04140%0.396CS..EExtended strand (participates in β ladder)trans-123.3155.5176.864.7167.4000112.2I5 V14 Q18 V22 K94 L95 I97I5-I20 HydrophobicContact CD1-CD1 4.21Å; V14-I20 HydrophobicContact CG1-CD1 3.92Å; V14-I20 HydrophobicContact CG1-CG2 4.12Å; Q18-I20 HydrophobicContact CG-CG2 4.24Å; I20-V22 HydrophobicContact CD1-CG1 3.75Å; I20-V22 HydrophobicContact CG1-CG1 4.25Å; I20-K94 WeakPolarHBondContact O-CA 3.49Å; I20-L95 HydrophobicContact CD1-CD1 4.36Å; I20-L95 HydrophobicContact CG1-CB 3.94Å; I20-L95 HydrophobicContact CG1-CD1 4.47Å; I20-L95 PolarHBondContact N-O 3.11Å; I20-L95 PolarHBondContact O-N 2.89Å; I20-I97 HydrophobicContact CD1-CD1 3.71Å; I20-I97 HydrophobicContact CD1-CG1 4.47Å; I20-I97 HydrophobicContact CG1-CD1 4.13Å
21F95.2Very high94.2Very high122 Ų12274.8 Ų74.854%0.53539%0.39SS..EExtended strand (participates in β ladder)trans-114121.2173-63.2-89.9000108.9Y92 T93 K94F21-Y92 AromaticContact CD1-CD2 3.67Å; F21-Y92 HydrophobicContact CD1-CD2 3.67Å; F21-Y92 AromaticContact CD1-CE2 3.72Å; F21-Y92 HydrophobicContact CD1-CE2 3.72Å; F21-Y92 HydrophobicContact CD1-CG 4.45Å; F21-Y92 HydrophobicContact CE1-CD2 4.23Å; F21-Y92 AromaticContact CE1-CE2 3.79Å; F21-Y92 HydrophobicContact CE1-CE2 3.79Å; F21-T93 WeakPolarHBondContact CA-O 3.32Å; F21-K94 HydrophobicContact CD1-CB 4.08Å; F21-K94 HydrophobicContact CD1-CG 4.07Å; F21-K94 HydrophobicContact CE1-CB 3.96Å; F21-K94 HydrophobicContact CE1-CD 3.88Å; F21-K94 HydrophobicContact CE1-CG 3.68Å; F21-K94 HydrophobicContact CZ-CD 4Å; F21-K94 HydrophobicContact CZ-CG 4.04Å
22V95.8Very high94.2Very high10 Ų1073 Ų736%0.06139%0.388CS..EExtended strand (participates in β ladder)trans-120.4175.6178.6-59.80000110.5T7 I12 I20 L25 Y92 T93 L95T7-V22 HydrophobicContact CG2-CB 4.29Å; T7-V22 HydrophobicContact CG2-CG1 3.71Å; I12-V22 HydrophobicContact CD1-CG1 4.11Å; I20-V22 HydrophobicContact CD1-CG1 3.75Å; I20-V22 HydrophobicContact CG1-CG1 4.25Å; V22-L25 HydrophobicContact CG2-CD1 3.94Å; V22-L25 HydrophobicContact CG2-CG 4.3Å; V22-Y92 WeakPolarHBondContact O-CA 3.48Å; V22-Y92 WeakPolarHBondContact O-CB 3.46Å; V22-T93 PolarHBondContact N-O 3.11Å; V22-T93 PolarHBondContact O-N 2.81Å; V22-L95 HydrophobicContact CG1-CD1 4.25Å; V22-L95 HydrophobicContact CG2-CD1 3.51Å; V22-L95 HydrophobicContact CG2-CG 4.06Å
23E94.6Very high94.1Very high71 Ų7173.2 Ų73.233%0.33239%0.388SS..SBendtrans-63.3172.6174.6-57.5-141.3159.100111.7K10 L25 T93K10-E23 IonicContact NZ-OE1 2.83Å; K10-E23 PolarHBondContact NZ-OE1 2.92Å; E23-L25 PolarHBondContact O-N 3.47Å; E23-T93 WeakPolarHBondContact O-CB 3.49Å; E23-T93 PolarHBondContact O-OG1 3.09Å
24K94.3Very high94.1Very high111 Ų11171.2 Ų71.248%0.48338%0.384SS..  trans-61.1123.9178.5-174.9179.9-179.3-85.60109.5D26 P91 T93K24-D26 IonicContact NZ-OD1 2.65Å; K24-D26 PolarHBondContact NZ-OD1 2.87Å; K24-P91 HydrophobicContact CB-CB 4.2Å; K24-P91 HydrophobicContact CB-CG 4.11Å; K24-P91 HydrophobicContact CD-CB 4.19Å; K24-P91 HydrophobicContact CD-CG 4.13Å; K24-P91 HydrophobicContact CG-CB 4.46Å; K24-T93 WeakPolarHBondContact CA-OG1 3.49Å
25L93.3Very high94Very high28 Ų2871.6 Ų71.615%0.14739%0.386CS..  trans-105.5146.5169.6-61176000108.3V22 E23 V27 F33 Q65 T93 L95V22-L25 HydrophobicContact CG2-CD1 3.94Å; V22-L25 HydrophobicContact CG2-CG 4.3Å; E23-L25 PolarHBondContact O-N 3.47Å; L25-V27 HydrophobicContact CB-CG2 4.06Å; L25-V27 PolarHBondContact O-N 3.1Å; L25-V27 VanDerWaalsContact O-N 3.11Å; L25-F33 HydrophobicContact CD1-CD1 3.88Å; L25-F33 HydrophobicContact CD1-CD2 4.37Å; L25-F33 HydrophobicContact CD1-CE1 3.93Å; L25-F33 HydrophobicContact CD1-CE2 4.38Å; L25-F33 HydrophobicContact CD1-CG 4.09Å; L25-F33 HydrophobicContact CD1-CZ 4.17Å; L25-F33 HydrophobicContact CD2-CE1 4.43Å; L25-F33 HydrophobicContact CD2-CZ 4.12Å; L25-Q65 PolarHBondContact O-NE2 3.25Å; L25-T93 HydrophobicContact CD1-CG2 4.47Å; L25-T93 PolarHBondContact N-OG1 2.97Å; L25-L95 HydrophobicContact CD1-CD1 4.12Å; L25-L95 HydrophobicContact CD1-CD2 4.48Å
26D91.8Very high93.9Very high146 Ų14673.2 Ų73.278%0.78140%0.397SS*.SBendtrans-87.864.8175.4-74.2-27000110.1K24K24-D26 IonicContact NZ-OD1 2.65Å; K24-D26 PolarHBondContact NZ-OD1 2.87Å
27V92.4Very high93.8Very high27 Ų2773.9 Ų73.916%0.16440%0.399CS..  trans-140.9142.8-174.8-172.40000108.5L25 D31 F33 V62 Q65L25-V27 HydrophobicContact CB-CG2 4.06Å; L25-V27 PolarHBondContact O-N 3.1Å; L25-V27 VanDerWaalsContact O-N 3.11Å; V27-D31 HydrophobicContact CG1-CB 3.53Å; V27-F33 HydrophobicContact CG2-CD2 3.61Å; V27-F33 HydrophobicContact CG2-CE2 3.97Å; V27-V62 HydrophobicContact CB-CG2 4.27Å; V27-V62 HydrophobicContact CG1-CG2 3.82Å; V27-Q65 PolarHBondContact O-NE2 2.9Å
28N90.4Very high93.8Very high118 Ų11871.1 Ų71.163%0.63137%0.37SS*.  trans-81.1163.7-177-54.1-59.4000111.8D31 V62N28-D31 VanDerWaalsContact CB-OD2 3.28Å; N28-D31 WeakPolarHBondContact CB-OD2 3.2Å; N28-D31 PolarHBondContact N-OD2 2.88Å; N28-D31 VanDerWaalsContact N-OD2 3.13Å; N28-D31 PolarHBondContact ND2-OD2 2.93Å; N28-D31 WeakPolarHBondContact O-CB 3.18Å; N28-D31 PolarHBondContact O-N 3.38Å; N28-V62 WeakPolarHBondContact O-CB 3.14Å; N28-V62 WeakPolarHBondContact O-CG1 3.37Å
29E91.8Very high93.7Very high111 Ų11168.7 Ų68.752%0.51936%0.36SS..THydrogen-bonded Turntrans-66.3135171.2-60.7-176.7167.800109.9D31 K64 Q65E29-D31 VanDerWaalsContact C-N 3.33Å; E29-K64 WeakPolarHBondContact OE1-CA 3.36Å; E29-Q65 HydrophobicContact CG-CB 4.38Å; E29-Q65 HydrophobicContact CG-CG 4.2Å; E29-Q65 PolarHBondContact OE1-N 3.34Å
30G92.6Very high93.6Very high56 Ų5666.4 Ų66.458%0.57735%0.348SS*.THydrogen-bonded Turntrans91.3-16.7-17600000114.6V62G30-V62 PolarHBondContact N-O 2.77Å
31D93.9Very high93.5Very high70 Ų7066.2 Ų66.237%0.37435%0.347SS..  trans-73.9153.5176.5-68.9-20.9000111V27 N28 E29 V62V27-D31 HydrophobicContact CG1-CB 3.53Å; N28-D31 VanDerWaalsContact CB-OD2 3.28Å; N28-D31 WeakPolarHBondContact CB-OD2 3.2Å; N28-D31 PolarHBondContact N-OD2 2.88Å; N28-D31 VanDerWaalsContact N-OD2 3.13Å; N28-D31 PolarHBondContact ND2-OD2 2.93Å; N28-D31 WeakPolarHBondContact O-CB 3.18Å; N28-D31 PolarHBondContact O-N 3.38Å; E29-D31 VanDerWaalsContact C-N 3.33Å; D31-V62 WeakPolarHBondContact O-CG2 3.48Å; D31-V62 PolarHBondContact O-N 2.8Å
32T94.3Very high93.2Very high95 Ų9560.5 Ų60.558%0.58332%0.322SS*.EExtended strand (participates in β ladder)trans-88.8137.3172.1-20.90000110A60T32-A60 CarbonylContact C-O 3.49Å
33F94.1Very high92.8Very high54 Ų5462 Ų6224%0.23734%0.34CS..EExtended strand (participates in β ladder)trans-120.9130.8175.1-169.9-100.9000110.3L25 V27 F35 A60 V62L25-F33 HydrophobicContact CD1-CD1 3.88Å; L25-F33 HydrophobicContact CD1-CD2 4.37Å; L25-F33 HydrophobicContact CD1-CE1 3.93Å; L25-F33 HydrophobicContact CD1-CE2 4.38Å; L25-F33 HydrophobicContact CD1-CG 4.09Å; L25-F33 HydrophobicContact CD1-CZ 4.17Å; L25-F33 HydrophobicContact CD2-CE1 4.43Å; L25-F33 HydrophobicContact CD2-CZ 4.12Å; V27-F33 HydrophobicContact CG2-CD2 3.61Å; V27-F33 HydrophobicContact CG2-CE2 3.97Å; F33-F35 HydrophobicContact CD1-CD1 4.11Å; F33-F35 HydrophobicContact CD1-CD2 4.17Å; F33-F35 AromaticContact CD1-CE1 3.81Å; F33-F35 HydrophobicContact CD1-CE1 3.81Å; F33-F35 AromaticContact CD1-CE2 3.89Å; F33-F35 HydrophobicContact CD1-CE2 3.89Å; F33-F35 HydrophobicContact CD1-CG 4.28Å; F33-F35 AromaticContact CD1-CZ 3.7Å; F33-F35 HydrophobicContact CD1-CZ 3.7Å; F33-F35 AromaticContact CE1-CD1 3.66Å; F33-F35 HydrophobicContact CE1-CD1 3.66Å; F33-F35 AromaticContact CE1-CE1 3.48Å; F33-F35 HydrophobicContact CE1-CE1 3.48Å; F33-F35 VanDerWaalsContact CE1-CE1 3.48Å; F33-F35 HydrophobicContact CE1-CE2 4.38Å; F33-F35 HydrophobicContact CE1-CG 4.19Å; F33-F35 AromaticContact CE1-CZ 3.88Å; F33-F35 HydrophobicContact CE1-CZ 3.88Å; F33-A60 PolarHBondContact N-O 2.89Å; F33-A60 PolarHBondContact O-N 2.66Å; F33-V62 HydrophobicContact CB-CG2 4.42Å
34T95Very high92.1Very high59 Ų5967.4 Ų67.436%0.36237%0.371SS..EExtended strand (participates in β ladder)trans-106.1127.5177.8-54.20000109.7T57 V58 T59T34-T57 HydrophobicContact CG2-CG2 4.17Å; T34-V58 CarbonylContact C-O 3.54Å; T34-V58 WeakPolarHBondContact CA-O 3.45Å; T34-T59 HydrophobicContact CG2-CG2 4.19Å
35F94.4Very high91.6Very high9 Ų966.1 Ų66.14%0.03938%0.376CS..EExtended strand (participates in β ladder)trans-92.2112.5169.8-63.1-82.1000109.6I5 F33 T57 V58 A60 L95I5-F35 HydrophobicContact CD1-CD1 4.03Å; I5-F35 HydrophobicContact CD1-CD2 3.81Å; I5-F35 HydrophobicContact CD1-CE1 4.12Å; I5-F35 HydrophobicContact CD1-CE2 3.89Å; I5-F35 HydrophobicContact CD1-CG 3.88Å; I5-F35 HydrophobicContact CD1-CZ 4.04Å; I5-F35 HydrophobicContact CG2-CB 4.33Å; F33-F35 HydrophobicContact CD1-CD1 4.11Å; F33-F35 HydrophobicContact CD1-CD2 4.17Å; F33-F35 AromaticContact CD1-CE1 3.81Å; F33-F35 HydrophobicContact CD1-CE1 3.81Å; F33-F35 AromaticContact CD1-CE2 3.89Å; F33-F35 HydrophobicContact CD1-CE2 3.89Å; F33-F35 HydrophobicContact CD1-CG 4.28Å; F33-F35 AromaticContact CD1-CZ 3.7Å; F33-F35 HydrophobicContact CD1-CZ 3.7Å; F33-F35 AromaticContact CE1-CD1 3.66Å; F33-F35 HydrophobicContact CE1-CD1 3.66Å; F33-F35 AromaticContact CE1-CE1 3.48Å; F33-F35 HydrophobicContact CE1-CE1 3.48Å; F33-F35 VanDerWaalsContact CE1-CE1 3.48Å; F33-F35 HydrophobicContact CE1-CE2 4.38Å; F33-F35 HydrophobicContact CE1-CG 4.19Å; F33-F35 AromaticContact CE1-CZ 3.88Å; F33-F35 HydrophobicContact CE1-CZ 3.88Å; F35-T57 WeakPolarHBondContact O-CA 3.44Å; F35-V58 HydrophobicContact CB-CB 4.26Å; F35-V58 HydrophobicContact CD2-CB 4.43Å; F35-V58 HydrophobicContact CD2-CG1 4.43Å; F35-V58 PolarHBondContact N-O 2.82Å; F35-V58 PolarHBondContact O-N 2.86Å; F35-A60 HydrophobicContact CE2-CB 4.08Å; F35-L95 HydrophobicContact CE2-CD1 3.75Å; F35-L95 HydrophobicContact CZ-CD1 3.43Å; F35-L95 VanDerWaalsContact CZ-CD1 3.43Å
36D92.4Very high91.4Very high117 Ų11769.2 Ų69.263%0.62640%0.396SS*.  trans-83.3-23.5177.3-52.7-44.5000112.5V38D36-V38 PolarHBondContact O-N 2.83Å; D36-V38 VanDerWaalsContact O-N 3.11Å
37K92.7Very high91.3Very high107 Ų10766.1 Ų66.147%0.46538%0.376SS..  trans-87.878.1-178.9-70.4-176.2170.8-174.10111.3I5 E6I5-K37 WeakPolarHBondContact CA-O 3.46Å; E6-K37 HydrophobicContact CB-CB 3.97Å; E6-K37 HydrophobicContact CB-CD 4.17Å; E6-K37 HydrophobicContact CG-CD 4.43Å; E6-K37 PolarHBondContact N-O 2.88Å; E6-K37 IonicContact OE1-NZ 2.72Å; E6-K37 PolarHBondContact OE1-NZ 3.42Å
38V94.4Very high91.2Very high0 Ų070.1 Ų70.10%040%0.4CS..EExtended strand (participates in β ladder)trans-96.6118.2170.9-1730000109.2A3 I5 D36 V41 T52 V53 A56 V58A3-V38 HydrophobicContact CB-CG1 4.03Å; I5-V38 HydrophobicContact CG2-CG2 4.29Å; D36-V38 PolarHBondContact O-N 2.83Å; D36-V38 VanDerWaalsContact O-N 3.11Å; V38-V41 HydrophobicContact CG1-CG2 3.7Å; V38-T52 CarbonylContact O-C 3.57Å; V38-T52 VanDerWaalsContact O-CA 3.29Å; V38-T52 WeakPolarHBondContact O-CA 3.38Å; V38-T52 WeakPolarHBondContact O-CB 3.19Å; V38-V53 PolarHBondContact O-N 2.87Å; V38-A56 HydrophobicContact CB-CB 3.79Å; V38-A56 HydrophobicContact CG1-CB 3.98Å; V38-A56 HydrophobicContact CG2-CB 4.13Å; V38-A56 WeakPolarHBondContact CG2-O 3.48Å; V38-V58 HydrophobicContact CG2-CG2 3.85Å
39L93.8Very high91.1Very high27 Ų2765.3 Ų65.314%0.14138%0.378CS..EExtended strand (participates in β ladder)trans-91.6-28.4-175.8-58.6172.4000112.2I4 E6 Q11 G49 P51 T52I4-L39 HydrophobicContact CG2-CD1 4.41Å; I4-L39 PolarHBondContact O-N 3.12Å; E6-L39 HydrophobicContact CB-CD1 4.29Å; Q11-L39 HydrophobicContact CG-CD1 3.61Å; L39-G49 WeakPolarHBondContact O-CA 3.49Å; L39-G49 PolarHBondContact O-N 3.29Å; L39-P51 VanDerWaalsContact CD2-O 3.22Å; L39-P51 WeakPolarHBondContact CD2-O 3.49Å; L39-T52 HydrophobicContact CD2-CG2 4.19Å
40F93.3Very high90.9Very high49 Ų4964.8 Ų64.822%0.21539%0.393CS..EExtended strand (participates in β ladder)trans-153.7138.5-174.7-177.6-87.5000109.5F2 A3 I4 V46 K47 V48F2-F40 HydrophobicContact CD2-CD1 4.43Å; F2-F40 HydrophobicContact CD2-CE1 4.41Å; F2-F40 AromaticContact CE2-CD1 3.71Å; F2-F40 HydrophobicContact CE2-CD1 3.71Å; F2-F40 AromaticContact CE2-CE1 3.43Å; F2-F40 HydrophobicContact CE2-CE1 3.43Å; F2-F40 VanDerWaalsContact CE2-CE1 3.43Å; F2-F40 HydrophobicContact CZ-CD1 4.31Å; F2-F40 AromaticContact CZ-CE1 3.55Å; F2-F40 HydrophobicContact CZ-CE1 3.55Å; F2-F40 HydrophobicContact CZ-CZ 4.44Å; A3-F40 CarbonylContact C-O 3.51Å; A3-F40 WeakPolarHBondContact CA-O 3.38Å; I4-F40 HydrophobicContact CB-CB 4Å; I4-F40 HydrophobicContact CD1-CB 4.04Å; I4-F40 HydrophobicContact CD1-CD1 4.29Å; I4-F40 HydrophobicContact CD1-CG 4.29Å; I4-F40 HydrophobicContact CG1-CB 4.05Å; I4-F40 HydrophobicContact CG1-CD1 4.31Å; I4-F40 PolarHBondContact N-O 2.96Å; F40-V46 HydrophobicContact CD2-CG1 4.44Å; F40-V46 HydrophobicContact CE1-CG1 4.42Å; F40-V46 HydrophobicContact CE2-CG1 3.42Å; F40-V46 VanDerWaalsContact CE2-CG1 3.42Å; F40-V46 HydrophobicContact CZ-CG1 3.41Å; F40-V46 VanDerWaalsContact CZ-CG1 3.41Å; F40-K47 WeakPolarHBondContact CA-O 3.41Å; F40-V48 HydrophobicContact CD2-CG2 4.09Å; F40-V48 HydrophobicContact CE2-CG2 3.94Å
41V93.3Very high90.8Very high4 Ų467.1 Ų67.12%0.02440%0.398CS..EExtended strand (participates in β ladder)trans-122.7124.3167.8-174.70000108.8M1 V38 K47 A56 I100 A102M1-V41 HydrophobicContact CG-CG1 4.29Å; M1-V41 HydrophobicContact SD-CG1 4.4Å; V38-V41 HydrophobicContact CG1-CG2 3.7Å; V41-K47 HydrophobicContact CB-CB 4.29Å; V41-K47 PolarHBondContact N-O 2.82Å; V41-K47 PolarHBondContact O-N 2.91Å; V41-A56 HydrophobicContact CG2-CB 4.17Å; V41-I100 HydrophobicContact CG1-CG2 4.4Å; V41-A102 HydrophobicContact CB-CB 4.36Å; V41-A102 HydrophobicContact CG1-CB 3.78Å; V41-A102 HydrophobicContact CG2-CB 4.23Å
42G89Confident90.7Very high1 Ų166.3 Ų66.31%0.0140%0.396CS..EExtended strand (participates in β ladder)trans-116.9144.4179.900000112.6M1 F2M1-G42 CarbonylContact C-O 3.57Å; M1-G42 WeakPolarHBondContact CA-O 3.26Å; M1-G42 WeakPolarHBondContact CG-O 3.39Å; F2-G42 PolarHBondContact N-O 3.38Å; F2-G42 PolarHBondContact O-N 2.89Å
43G86.9Confident90.5Very high42 Ų4262.5 Ų62.543%0.43337%0.372SS..SBendtrans167.3-140.6-175.600000108.4S45G43-S45 VanDerWaalsContact C-N 3.34Å
44D80.3Confident90.1Very high184 Ų18468.7 Ų68.798%0.98440%0.402SS*.SBendtrans-67.8-35.5177.2-58-36000112.5
45S84Confident89.8Confident84 Ų8469.2 Ų69.259%0.58742%0.419SS*.SBendtrans-118133170.768.30000109.8G43G43-S45 VanDerWaalsContact C-N 3.34Å
46V89.8Confident89.7Confident93 Ų9369 Ų6956%0.56442%0.418SS*.  trans-95.3122.5-178.11760000109.1F40 V48F40-V46 HydrophobicContact CD2-CG1 4.44Å; F40-V46 HydrophobicContact CE1-CG1 4.42Å; F40-V46 HydrophobicContact CE2-CG1 3.42Å; F40-V46 VanDerWaalsContact CE2-CG1 3.42Å; F40-V46 HydrophobicContact CZ-CG1 3.41Å; F40-V46 VanDerWaalsContact CZ-CG1 3.41Å; V46-V48 HydrophobicContact CG1-CG2 3.95Å
47K89Confident89.7Confident81 Ų8165 Ų6535%0.35240%0.399SS..EExtended strand (participates in β ladder)trans-108.8119.2171.6-65.2179.5174.5179.90109.1F40 V41 V53 A102F40-K47 WeakPolarHBondContact CA-O 3.41Å; V41-K47 HydrophobicContact CB-CB 4.29Å; V41-K47 PolarHBondContact N-O 2.82Å; V41-K47 PolarHBondContact O-N 2.91Å; K47-V53 HydrophobicContact CB-CG1 3.87Å; K47-V53 HydrophobicContact CB-CG2 4.17Å; K47-V53 HydrophobicContact CD-CG1 3.94Å; K47-A102 HydrophobicContact CD-CB 4.43Å; K47-A102 PolarHBondContact NZ-O 3.32Å; K47-A102 PolarHBondContact NZ-OXT 3.03Å
48V90.4Very high89.9Confident112 Ų11260 Ų6068%0.67938%0.377SS*.EExtended strand (participates in β ladder)trans-105.3124177.6-173.40000108.6F40 V46F40-V48 HydrophobicContact CD2-CG2 4.09Å; F40-V48 HydrophobicContact CE2-CG2 3.94Å; V46-V48 HydrophobicContact CG1-CG2 3.95Å
49G87.7Confident89.9Confident16 Ų1661.5 Ų61.517%0.16539%0.386CS..  trans-81.7149178.700000113L39 T52L39-G49 WeakPolarHBondContact O-CA 3.49Å; L39-G49 PolarHBondContact O-N 3.29Å; G49-T52 WeakPolarHBondContact CA-O 3.46Å
50A88.6Confident90Very high100 Ų10060.2 Ų60.283%0.82638%0.379SS*.SBendtrans-141.478.1173.200000110.5T52A50-T52 PolarHBondContact N-O 2.87Å
51P89.9Confident90.2Very high106 Ų10659.7 Ų59.769%0.68838%0.38SS*.SBendcis-87.7-244.733-34.3000114.6L39L39-P51 VanDerWaalsContact CD2-O 3.22Å; L39-P51 WeakPolarHBondContact CD2-O 3.49Å
52T91.7Very high90.3Very high53 Ų5359.6 Ų59.633%0.32538%0.38SS..SBendtrans-118.1159179.450.60000110.5V38 L39 G49 A50V38-T52 CarbonylContact O-C 3.57Å; V38-T52 VanDerWaalsContact O-CA 3.29Å; V38-T52 WeakPolarHBondContact O-CA 3.38Å; V38-T52 WeakPolarHBondContact O-CB 3.19Å; L39-T52 HydrophobicContact CD2-CG2 4.19Å; G49-T52 WeakPolarHBondContact CA-O 3.46Å; A50-T52 PolarHBondContact N-O 2.87Å
53V90Very high90.6Very high14 Ų1462.3 Ų62.39%0.08539%0.394CS..  trans-79.3116.7170.9-179.50000107.7V38 K47 G55 A56V38-V53 PolarHBondContact O-N 2.87Å; K47-V53 HydrophobicContact CB-CG1 3.87Å; K47-V53 HydrophobicContact CB-CG2 4.17Å; K47-V53 HydrophobicContact CD-CG1 3.94Å; V53-G55 PolarHBondContact O-N 3.31Å; V53-A56 HydrophobicContact CB-CB 3.74Å; V53-A56 HydrophobicContact CG1-CB 3.71Å; V53-A56 PolarHBondContact O-N 3.28Å
54E86.6Confident90.9Very high184 Ų18465.4 Ų65.486%0.8640%0.396SS*.THydrogen-bonded Turntrans-60.3131.2-179.4-75.4-171.7159.800111.6A56E54-A56 PolarHBondContact O-N 2.74Å
55G87.2Confident91.6Very high71 Ų7159.4 Ų59.473%0.73236%0.362SS*.THydrogen-bonded Turntrans77.6-8.6179.500000115.3V53V53-G55 PolarHBondContact O-N 3.31Å
56A91.8Very high92.1Very high3 Ų355.9 Ų55.93%0.02534%0.339CS..  trans-76.4130.6178.100000110.9V38 V41 V53 E54 N101V38-A56 HydrophobicContact CB-CB 3.79Å; V38-A56 HydrophobicContact CG1-CB 3.98Å; V38-A56 HydrophobicContact CG2-CB 4.13Å; V38-A56 WeakPolarHBondContact CG2-O 3.48Å; V41-A56 HydrophobicContact CG2-CB 4.17Å; V53-A56 HydrophobicContact CB-CB 3.74Å; V53-A56 HydrophobicContact CG1-CB 3.71Å; V53-A56 PolarHBondContact O-N 3.28Å; E54-A56 PolarHBondContact O-N 2.74Å; A56-N101 CarbonylContact C-O 3.51Å; A56-N101 WeakPolarHBondContact CA-O 3.37Å; A56-N101 WeakPolarHBondContact CB-O 3.5Å
57T94.1Very high92.4Very high35 Ų3559 Ų5922%0.21534%0.34CS..EExtended strand (participates in β ladder)trans-138.3142.3178.649.80000109.7T34 F35 N101T34-T57 HydrophobicContact CG2-CG2 4.17Å; F35-T57 WeakPolarHBondContact O-CA 3.44Å; T57-N101 PolarHBondContact N-O 2.96Å; T57-N101 PolarHBondContact O-N 2.82Å; T57-N101 WeakPolarHBondContact OG1-CB 3.41Å
58V95.2Very high92.6Very high0 Ų056.3 Ų56.30%034%0.335CS..EExtended strand (participates in β ladder)trans-113.6120.4172.6178.10000108.8A3 I5 V14 T34 F35 V38 I97 I100A3-V58 HydrophobicContact CB-CG2 3.92Å; I5-V58 HydrophobicContact CG2-CB 4.02Å; I5-V58 HydrophobicContact CG2-CG2 3.64Å; V14-V58 HydrophobicContact CG2-CG1 4.31Å; V14-V58 HydrophobicContact CG2-CG2 4.42Å; T34-V58 CarbonylContact C-O 3.54Å; T34-V58 WeakPolarHBondContact CA-O 3.45Å; F35-V58 HydrophobicContact CB-CB 4.26Å; F35-V58 HydrophobicContact CD2-CB 4.43Å; F35-V58 HydrophobicContact CD2-CG1 4.43Å; F35-V58 PolarHBondContact N-O 2.82Å; F35-V58 PolarHBondContact O-N 2.86Å; V38-V58 HydrophobicContact CG2-CG2 3.85Å; V58-I97 HydrophobicContact CG1-CD1 4.04Å; V58-I97 HydrophobicContact CG1-CG2 3.8Å; V58-I100 HydrophobicContact CG1-CG1 4.38Å; V58-I100 HydrophobicContact CG2-CG1 4.18Å; V58-I100 HydrophobicContact CG2-CG2 4.24Å
59T95.7Very high92.9Very high32 Ų3260 Ų6020%0.19634%0.342CS..EExtended strand (participates in β ladder)trans-96.6139.4176.854.20000110.1T34 D98 K99T34-T59 HydrophobicContact CG2-CG2 4.19Å; T59-D98 PolarHBondContact O-N 2.89Å; T59-K99 PolarHBondContact N-O 2.87Å; T59-K99 PolarHBondContact O-N 2.79Å; T59-K99 WeakPolarHBondContact OG1-CB 3.4Å; T59-K99 PolarHBondContact OG1-N 2.81Å; T59-K99 PolarHBondContact OG1-O 2.83Å; T59-K99 VanDerWaalsContact OG1-O 3.1Å
60A96.3Very high93.4Very high0 Ų065.6 Ų65.60%036%0.362CS..EExtended strand (participates in β ladder)trans-145.8143.9-178.500000111.6T32 F33 F35 L95 T96 I97 D98T32-A60 CarbonylContact C-O 3.49Å; F33-A60 PolarHBondContact N-O 2.89Å; F33-A60 PolarHBondContact O-N 2.66Å; F35-A60 HydrophobicContact CE2-CB 4.08Å; A60-L95 HydrophobicContact CB-CB 4.17Å; A60-L95 HydrophobicContact CB-CD1 4.49Å; A60-T96 CarbonylContact C-O 3.39Å; A60-T96 WeakPolarHBondContact CA-O 3.32Å; A60-T96 VanDerWaalsContact CB-O 3.24Å; A60-T96 WeakPolarHBondContact CB-O 3.41Å; A60-I97 HydrophobicContact CB-CD1 3.86Å; A60-D98 VanDerWaalsContact C-OD2 3.24Å; A60-D98 WeakPolarHBondContact CA-OD2 3.24Å
61T96.8Very high93.8Very high39 Ų3966 Ų6624%0.23935%0.349CS..EExtended strand (participates in β ladder)trans-93.8135.5175.7-650000110.5N63 L95 T96 D98T61-N63 PolarHBondContact O-N 3.02Å; T61-N63 PolarHBondContact O-OD1 3.11Å; T61-L95 CarbonylContact O-C 3.57Å; T61-L95 VanDerWaalsContact O-CA 3.26Å; T61-L95 WeakPolarHBondContact O-CA 3.45Å; T61-T96 PolarHBondContact N-O 2.83Å; T61-T96 PolarHBondContact O-N 3.46Å; T61-D98 WeakPolarHBondContact CB-OD2 3.44Å; T61-D98 PolarHBondContact N-OD2 3.28Å; T61-D98 PolarHBondContact OG1-OD1 2.88Å; T61-D98 PolarHBondContact OG1-OD2 3.3Å
62V96.3Very high94.2Very high1 Ų164.6 Ų64.61%0.00634%0.339CS..EExtended strand (participates in β ladder)trans-78.8105.5178.2-176.70000110.5V27 N28 G30 D31 F33 T93 L95V27-V62 HydrophobicContact CB-CG2 4.27Å; V27-V62 HydrophobicContact CG1-CG2 3.82Å; N28-V62 WeakPolarHBondContact O-CB 3.14Å; N28-V62 WeakPolarHBondContact O-CG1 3.37Å; G30-V62 PolarHBondContact N-O 2.77Å; D31-V62 WeakPolarHBondContact O-CG2 3.48Å; D31-V62 PolarHBondContact O-N 2.8Å; F33-V62 HydrophobicContact CB-CG2 4.42Å; V62-T93 HydrophobicContact CG1-CG2 3.67Å; V62-L95 HydrophobicContact CB-CD2 4.01Å; V62-L95 HydrophobicContact CG1-CD2 4.26Å; V62-L95 HydrophobicContact CG2-CD2 3.52Å
63N94.3Very high94.4Very high59 Ų5965.9 Ų65.932%0.31635%0.346SS..EExtended strand (participates in β ladder)trans-79-40.5179.6-67.814.3000112.5E19 T61 K94 T96E19-N63 PolarHBondContact OE1-ND2 2.84Å; T61-N63 PolarHBondContact O-N 3.02Å; T61-N63 PolarHBondContact O-OD1 3.11Å; N63-K94 HydrophobicContact CB-CB 4.46Å; N63-K94 HydrophobicContact CB-CD 4.32Å; N63-K94 HydrophobicContact CB-CG 4.38Å; N63-K94 PolarHBondContact N-O 2.81Å; N63-T96 PolarHBondContact ND2-OG1 2.72Å; N63-T96 PolarHBondContact OD1-OG1 3Å
64K94Very high94.8Very high107 Ų10770.9 Ų70.947%0.46537%0.367SS..EExtended strand (participates in β ladder)trans-161.7138.5-171.3-174.8171.3-178.2167.80113.8E29 K94E29-K64 WeakPolarHBondContact OE1-CA 3.36Å; K64-K94 HydrophobicContact CB-CB 4.11Å; K64-K94 PolarHBondContact N-O 3.2Å; K64-K94 PolarHBondContact O-N 3.24Å
65Q94.3Very high95.3Very high58 Ų5866 Ų6627%0.27135%0.35SS..EExtended strand (participates in β ladder)trans-97.6114.9164.9-71.8-99.94.300109.1L25 V27 E29L25-Q65 PolarHBondContact O-NE2 3.25Å; V27-Q65 PolarHBondContact O-NE2 2.9Å; E29-Q65 HydrophobicContact CG-CB 4.38Å; E29-Q65 HydrophobicContact CG-CG 4.2Å; E29-Q65 PolarHBondContact OE1-N 3.34Å
66G94.2Very high95.8Very high10 Ų1069.2 Ų69.210%0.10334%0.341CS..EExtended strand (participates in β ladder)trans-127.4171.8-17100000114.1P91 Y92G66-P91 CarbonylContact O-C 3.58Å; G66-P91 VanDerWaalsContact O-CA 3.24Å; G66-P91 WeakPolarHBondContact O-CA 3.43Å; G66-Y92 PolarHBondContact N-O 2.88Å; G66-Y92 PolarHBondContact O-N 3.4Å
67R96.1Very high96Very high158 Ų15875.8 Ų75.860%0.59637%0.369SS*.EExtended strand (participates in β ladder)trans-124.6135.7166.9-61.7-175.372.7174.19.3109.7R89 Q90 Y92R67-R89 PolarHBondContact NE-O 3.03Å; R67-R89 PolarHBondContact NH2-O 2.83Å; R67-Q90 CarbonylContact C-O 3.56Å; R67-Q90 WeakPolarHBondContact CA-O 3.29Å; R67-Y92 VanDerWaalsContact C-CE1 3.42Å
68G94.3Very high96.2Very high24 Ų2482.4 Ų82.425%0.24739%0.39CS..PPolyproline II helixtrans-58.6169.1175.200000112.8R89 Q90G68-R89 PolarHBondContact O-NE 3.06Å; G68-R89 PolarHBondContact O-NH2 2.75Å; G68-R89 VanDerWaalsContact O-NH2 3.09Å; G68-Q90 PolarHBondContact N-O 3.03Å
69K96.1Very high96.2Very high191 Ų19192.3 Ų92.383%0.8343%0.427SS*.PPolyproline II helixtrans-59.5147.8170.6-66.7-177.5-179.4177.50109.6I71K69-I71 PolarHBondContact O-N 2.85Å
70K97.8Very high96.2Very high133 Ų13398.4 Ų98.458%0.57845%0.451SS*.PPolyproline II helixtrans-71.5117.2-179.5-169.9172.1-176.2177.20110.1H88 R89K70-H88 WeakPolarHBondContact CA-O 3.36Å; K70-R89 HydrophobicContact CB-CG 3.65Å; K70-R89 HydrophobicContact CD-CG 4.5Å; K70-R89 HydrophobicContact CG-CG 3.84Å
71I97.5Very high96.2Very high107 Ų107106 Ų10655%0.54949%0.492SS..EExtended strand (participates in β ladder)trans-88.3126.3170.9-57.4174.5000107.2K69 V73 G87 H88K69-I71 PolarHBondContact O-N 2.85Å; I71-V73 HydrophobicContact CG2-CG2 4.36Å; I71-G87 CarbonylContact O-C 3.53Å; I71-G87 WeakPolarHBondContact O-CA 3.44Å; I71-H88 PolarHBondContact N-O 3Å; I71-H88 PolarHBondContact O-N 2.81Å
72T97Very high96.2Very high78 Ų78106.9 Ų106.948%0.47950%0.5SS..EExtended strand (participates in β ladder)trans-99.7112.8175.5-62.30000108.7K85T72-K85 HydrophobicContact CG2-CD 4.22Å; T72-K85 HydrophobicContact CG2-CG 3.82Å
73V97.3Very high96.2Very high79 Ų79114.1 Ų114.148%0.47953%0.531SS..EExtended strand (participates in β ladder)trans-96.2118.2173.5-177.30000107.7I71 K85 K86I71-V73 HydrophobicContact CG2-CG2 4.36Å; V73-K85 CarbonylContact O-C 3.6Å; V73-K85 WeakPolarHBondContact O-CA 3.37Å; V73-K86 PolarHBondContact N-O 2.78Å; V73-K86 PolarHBondContact O-N 2.88Å
74F97.6Very high96.3Very high119 Ų119118.9 Ų118.952%0.52255%0.545SS..EExtended strand (participates in β ladder)trans-119.7128.9177.6-179.4-105.1000109.8K83 R84 K85F74-K83 HydrophobicContact CE2-CB 4.13Å; F74-K83 HydrophobicContact CZ-CB 4.06Å; F74-R84 CarbonylContact C-O 3.59Å; F74-R84 WeakPolarHBondContact CA-O 3.39Å; F74-R84 WeakPolarHBondContact CD2-O 3.28Å; F74-K85 HydrophobicContact CD2-CB 3.94Å; F74-K85 HydrophobicContact CD2-CG 4.26Å
75T97Very high96.4Very high81 Ų81121.4 Ų121.450%0.49756%0.555SS.*EExtended strand (participates in β ladder)trans-123.6139.517458.70000109.7K83 R84T75-K83 CarbonylContact O-C 3.5Å; T75-K83 VanDerWaalsContact O-CA 3.27Å; T75-K83 WeakPolarHBondContact O-CA 3.5Å; T75-R84 PolarHBondContact N-O 2.84Å; T75-R84 PolarHBondContact O-N 3.37Å
76Y97.5Very high96.6Very high140 Ų140124.5 Ų124.555%0.54957%0.568SS.*EExtended strand (participates in β ladder)trans-140.3134.4-176.9170.7-97.5000109.8R78 K83Y76-R78 VanDerWaalsContact CE1-CA 3.41Å; Y76-R78 HydrophobicContact CE1-CB 3.76Å; Y76-R78 HydrophobicContact CE1-CG 4.36Å; Y76-K83 HydrophobicContact CD2-CB 3.95Å
77K97.1Very high96.8Very high141 Ų141125.8 Ų125.861%0.61358%0.581SS**EExtended strand (participates in β ladder)trans-112.8113.1170.7-63-175.7177.3-176.70109.4K80 S82K77-K80 HydrophobicContact CB-CB 3.93Å; K77-K80 HydrophobicContact CB-CG 4.27Å; K77-K80 PolarHBondContact O-N 2.94Å; K77-S82 PolarHBondContact N-O 3.47Å
78R97Very high96.9Very high173 Ų173122.6 Ų122.665%0.65357%0.573SS**THydrogen-bonded Turntrans-58.4137.3-180-172.6179.2178-150.63111.1Y76 K80Y76-R78 VanDerWaalsContact CE1-CA 3.41Å; Y76-R78 HydrophobicContact CE1-CB 3.76Å; Y76-R78 HydrophobicContact CE1-CG 4.36Å; R78-K80 PolarHBondContact O-N 2.77Å
79R95.7Very high97Very high209 Ų209126.3 Ų126.379%0.78958%0.579SS**THydrogen-bonded Turntrans56.515.4179.1-65.4169.5-177.5-179.1-0.6115.2
80K96.8Very high97Very high159 Ų159121.7 Ų121.769%0.69156%0.561SS**THydrogen-bonded Turntrans-113.48.7176.1-62.1-61.5-177.9-178.70113.2K77 R78 S82K77-K80 HydrophobicContact CB-CB 3.93Å; K77-K80 HydrophobicContact CB-CG 4.27Å; K77-K80 PolarHBondContact O-N 2.94Å; R78-K80 PolarHBondContact O-N 2.77Å; K80-S82 PolarHBondContact O-N 3.13Å
81N94.9Very high97Very high160 Ų160117.3 Ų117.386%0.85655%0.546SS*.THydrogen-bonded Turntrans43.733.5-172.6-163.220.7000113.4
82S96.6Very high96.9Very high58 Ų58115.3 Ų115.341%0.40653%0.532SS..EExtended strand (participates in β ladder)trans-119114.7-174.2179.80000108.7K77 K80K77-S82 PolarHBondContact N-O 3.47Å; K80-S82 PolarHBondContact O-N 3.13Å
83K96.7Very high96.9Very high152 Ų152111.6 Ų111.666%0.66151%0.509SS*.EExtended strand (participates in β ladder)trans-142.4136.7174.667.1-173.8175.7-177.60109.2F74 T75 Y76F74-K83 HydrophobicContact CE2-CB 4.13Å; F74-K83 HydrophobicContact CZ-CB 4.06Å; T75-K83 CarbonylContact O-C 3.5Å; T75-K83 VanDerWaalsContact O-CA 3.27Å; T75-K83 WeakPolarHBondContact O-CA 3.5Å; Y76-K83 HydrophobicContact CD2-CB 3.95Å
84R96.7Very high96.9Very high160 Ų160109.8 Ų109.860%0.60450%0.495SS*.EExtended strand (participates in β ladder)trans-133.2130.9177.5-174.8-179.3-178.3-175.93.4109.2F74 T75F74-R84 CarbonylContact C-O 3.59Å; F74-R84 WeakPolarHBondContact CA-O 3.39Å; F74-R84 WeakPolarHBondContact CD2-O 3.28Å; T75-R84 PolarHBondContact N-O 2.84Å; T75-R84 PolarHBondContact O-N 3.37Å
85K97.3Very high96.8Very high159 Ų159104.1 Ų104.169%0.69147%0.47SS*.EExtended strand (participates in β ladder)trans-115.6123.3171.9-166.6176.8-176.5177.80108.2T72 V73 F74T72-K85 HydrophobicContact CG2-CD 4.22Å; T72-K85 HydrophobicContact CG2-CG 3.82Å; V73-K85 CarbonylContact O-C 3.6Å; V73-K85 WeakPolarHBondContact O-CA 3.37Å; F74-K85 HydrophobicContact CD2-CB 3.94Å; F74-K85 HydrophobicContact CD2-CG 4.26Å
86K97.7Very high96.8Very high124 Ų124101.7 Ų101.754%0.53946%0.455SS..EExtended strand (participates in β ladder)trans-126.7137.6176.3-170.7177.3-179.5-175.60109.2V73V73-K86 PolarHBondContact N-O 2.78Å; V73-K86 PolarHBondContact O-N 2.88Å
87G97.5Very high96.7Very high36 Ų3695 Ų9537%0.37143%0.429SS..EExtended strand (participates in β ladder)trans-98.7147.1169.900000111I71I71-G87 CarbonylContact O-C 3.53Å; I71-G87 WeakPolarHBondContact O-CA 3.44Å
88H98.1Very high96.7Very high91 Ų9191.7 Ų91.742%0.42142%0.418SS..EExtended strand (participates in β ladder)trans-134138169.2-178.869.8000110.4K70 I71 Q90K70-H88 WeakPolarHBondContact CA-O 3.36Å; I71-H88 PolarHBondContact N-O 3Å; I71-H88 PolarHBondContact O-N 2.81Å; H88-Q90 PolarHBondContact CE1-OE1 2.89Å; H88-Q90 VanDerWaalsContact CE1-OE1 3.3Å; H88-Q90 PolarHBondContact NE2-OE1 2.96Å
89R97.6Very high96.5Very high103 Ų10388.8 Ų88.839%0.38941%0.41SS..  trans-136.8102.1174.4-69-168.685.9133.92.6108.2R67 G68 K70R67-R89 PolarHBondContact NE-O 3.03Å; R67-R89 PolarHBondContact NH2-O 2.83Å; G68-R89 PolarHBondContact O-NE 3.06Å; G68-R89 PolarHBondContact O-NH2 2.75Å; G68-R89 VanDerWaalsContact O-NH2 3.09Å; K70-R89 HydrophobicContact CB-CG 3.65Å; K70-R89 HydrophobicContact CD-CG 4.5Å; K70-R89 HydrophobicContact CG-CG 3.84Å
90Q96.5Very high96.4Very high94 Ų9479 Ų7944%0.43937%0.373SS..  trans-75.8130.2-177.4-170.163.5-19.700110.6R67 G68 H88R67-Q90 CarbonylContact C-O 3.56Å; R67-Q90 WeakPolarHBondContact CA-O 3.29Å; G68-Q90 PolarHBondContact N-O 3.03Å; H88-Q90 PolarHBondContact CE1-OE1 2.89Å; H88-Q90 VanDerWaalsContact CE1-OE1 3.3Å; H88-Q90 PolarHBondContact NE2-OE1 2.96Å
91P96.8Very high96Very high41 Ų4174.5 Ų74.527%0.26636%0.357SS..EExtended strand (participates in β ladder)trans-69.2150.216930.4-33.5000111K24 G66K24-P91 HydrophobicContact CB-CB 4.2Å; K24-P91 HydrophobicContact CB-CG 4.11Å; K24-P91 HydrophobicContact CD-CB 4.19Å; K24-P91 HydrophobicContact CD-CG 4.13Å; K24-P91 HydrophobicContact CG-CB 4.46Å; G66-P91 CarbonylContact O-C 3.58Å; G66-P91 VanDerWaalsContact O-CA 3.24Å; G66-P91 WeakPolarHBondContact O-CA 3.43Å
92Y96.3Very high95.2Very high65 Ų6569.5 Ų69.526%0.25534%0.337SS..EExtended strand (participates in β ladder)trans-144.1158.717565.9-102.3000109.9F21 V22 G66 R67 K94F21-Y92 AromaticContact CD1-CD2 3.67Å; F21-Y92 HydrophobicContact CD1-CD2 3.67Å; F21-Y92 AromaticContact CD1-CE2 3.72Å; F21-Y92 HydrophobicContact CD1-CE2 3.72Å; F21-Y92 HydrophobicContact CD1-CG 4.45Å; F21-Y92 HydrophobicContact CE1-CD2 4.23Å; F21-Y92 AromaticContact CE1-CE2 3.79Å; F21-Y92 HydrophobicContact CE1-CE2 3.79Å; V22-Y92 WeakPolarHBondContact O-CA 3.48Å; V22-Y92 WeakPolarHBondContact O-CB 3.46Å; G66-Y92 PolarHBondContact N-O 2.88Å; G66-Y92 PolarHBondContact O-N 3.4Å; R67-Y92 VanDerWaalsContact C-CE1 3.42Å; Y92-K94 HydrophobicContact CE2-CB 4.46Å
93T96.5Very high95.1Very high0 Ų070.1 Ų70.10%033%0.334CS..EExtended strand (participates in β ladder)trans-113.8127.3171.2-40.80000108.3F21 V22 E23 K24 L25 V62 L95F21-T93 WeakPolarHBondContact CA-O 3.32Å; V22-T93 PolarHBondContact N-O 3.11Å; V22-T93 PolarHBondContact O-N 2.81Å; E23-T93 WeakPolarHBondContact O-CB 3.49Å; E23-T93 PolarHBondContact O-OG1 3.09Å; K24-T93 WeakPolarHBondContact CA-OG1 3.49Å; L25-T93 HydrophobicContact CD1-CG2 4.47Å; L25-T93 PolarHBondContact N-OG1 2.97Å; V62-T93 HydrophobicContact CG1-CG2 3.67Å; T93-L95 HydrophobicContact CG2-CD2 3.78Å; T93-L95 HydrophobicContact CG2-CG 4.36Å
94K96.3Very high95.1Very high41 Ų4165.7 Ų65.718%0.17832%0.316CS..EExtended strand (participates in β ladder)trans-93.9127.1172.1-169-172.8-170.6-162.60108.2E19 I20 F21 N63 K64 Y92E19-K94 VanDerWaalsContact OE1-CE 3.25Å; E19-K94 WeakPolarHBondContact OE1-CE 3.5Å; E19-K94 IonicContact OE1-NZ 2.73Å; E19-K94 PolarHBondContact OE1-NZ 3.26Å; E19-K94 WeakPolarHBondContact OE2-CE 3.3Å; E19-K94 IonicContact OE2-NZ 2.67Å; E19-K94 PolarHBondContact OE2-NZ 2.72Å; I20-K94 WeakPolarHBondContact O-CA 3.49Å; F21-K94 HydrophobicContact CD1-CB 4.08Å; F21-K94 HydrophobicContact CD1-CG 4.07Å; F21-K94 HydrophobicContact CE1-CB 3.96Å; F21-K94 HydrophobicContact CE1-CD 3.88Å; F21-K94 HydrophobicContact CE1-CG 3.68Å; F21-K94 HydrophobicContact CZ-CD 4Å; F21-K94 HydrophobicContact CZ-CG 4.04Å; N63-K94 HydrophobicContact CB-CB 4.46Å; N63-K94 HydrophobicContact CB-CD 4.32Å; N63-K94 HydrophobicContact CB-CG 4.38Å; N63-K94 PolarHBondContact N-O 2.81Å; K64-K94 HydrophobicContact CB-CB 4.11Å; K64-K94 PolarHBondContact N-O 3.2Å; K64-K94 PolarHBondContact O-N 3.24Å; Y92-K94 HydrophobicContact CE2-CB 4.46Å
95L96.1Very high95Very high0 Ų060.5 Ų60.50%030%0.301CS..EExtended strand (participates in β ladder)trans-124.5149.6-178.8-53.8172.5000109.8E19 I20 V22 L25 F35 A60 T61 V62 T93E19-L95 CarbonylContact C-O 3.58Å; E19-L95 VanDerWaalsContact CA-O 3.3Å; E19-L95 WeakPolarHBondContact CA-O 3.13Å; I20-L95 HydrophobicContact CD1-CD1 4.36Å; I20-L95 HydrophobicContact CG1-CB 3.94Å; I20-L95 HydrophobicContact CG1-CD1 4.47Å; I20-L95 PolarHBondContact N-O 3.11Å; I20-L95 PolarHBondContact O-N 2.89Å; V22-L95 HydrophobicContact CG1-CD1 4.25Å; V22-L95 HydrophobicContact CG2-CD1 3.51Å; V22-L95 HydrophobicContact CG2-CG 4.06Å; L25-L95 HydrophobicContact CD1-CD1 4.12Å; L25-L95 HydrophobicContact CD1-CD2 4.48Å; F35-L95 HydrophobicContact CE2-CD1 3.75Å; F35-L95 HydrophobicContact CZ-CD1 3.43Å; F35-L95 VanDerWaalsContact CZ-CD1 3.43Å; A60-L95 HydrophobicContact CB-CB 4.17Å; A60-L95 HydrophobicContact CB-CD1 4.49Å; T61-L95 CarbonylContact O-C 3.57Å; T61-L95 VanDerWaalsContact O-CA 3.26Å; T61-L95 WeakPolarHBondContact O-CA 3.45Å; V62-L95 HydrophobicContact CB-CD2 4.01Å; V62-L95 HydrophobicContact CG1-CD2 4.26Å; V62-L95 HydrophobicContact CG2-CD2 3.52Å; T93-L95 HydrophobicContact CG2-CD2 3.78Å; T93-L95 HydrophobicContact CG2-CG 4.36Å
96T96.6Very high94.8Very high29 Ų2954.7 Ų54.718%0.17828%0.278CS..EExtended strand (participates in β ladder)trans-106.8131.2162.5-470000108.3Q18 A60 T61 N63 D98Q18-T96 WeakPolarHBondContact O-CA 3.4Å; A60-T96 CarbonylContact C-O 3.39Å; A60-T96 WeakPolarHBondContact CA-O 3.32Å; A60-T96 VanDerWaalsContact CB-O 3.24Å; A60-T96 WeakPolarHBondContact CB-O 3.41Å; T61-T96 PolarHBondContact N-O 2.83Å; T61-T96 PolarHBondContact O-N 3.46Å; N63-T96 PolarHBondContact ND2-OG1 2.72Å; N63-T96 PolarHBondContact OD1-OG1 3Å; T96-D98 PolarHBondContact O-N 3.36Å
97I96.9Very high94.7Very high1 Ų150.4 Ų50.41%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-76.6122.4176-55.8-60000109V14 E15 G17 Q18 I20 V58 A60 I100V14-I97 HydrophobicContact CB-CD1 4.21Å; V14-I97 HydrophobicContact CB-CG1 4.04Å; V14-I97 HydrophobicContact CG1-CD1 4.06Å; V14-I97 HydrophobicContact CG1-CG1 4.23Å; E15-I97 VanDerWaalsContact O-CB 3.32Å; E15-I97 WeakPolarHBondContact O-CB 3.22Å; G17-I97 WeakPolarHBondContact CA-O 3.07Å; G17-I97 PolarHBondContact N-O 2.82Å; Q18-I97 PolarHBondContact O-N 3.45Å; I20-I97 HydrophobicContact CD1-CD1 3.71Å; I20-I97 HydrophobicContact CD1-CG1 4.47Å; I20-I97 HydrophobicContact CG1-CD1 4.13Å; V58-I97 HydrophobicContact CG1-CD1 4.04Å; V58-I97 HydrophobicContact CG1-CG2 3.8Å; A60-I97 HydrophobicContact CB-CD1 3.86Å; I97-I100 HydrophobicContact CG2-CG1 4.31Å
98D95.4Very high94.5Very high71 Ų7151.3 Ų51.338%0.3825%0.254SS..EExtended strand (participates in β ladder)trans-92.6-52.5-177.3-60.5-45.3000111T59 A60 T61 T96T59-D98 PolarHBondContact O-N 2.89Å; A60-D98 VanDerWaalsContact C-OD2 3.24Å; A60-D98 WeakPolarHBondContact CA-OD2 3.24Å; T61-D98 WeakPolarHBondContact CB-OD2 3.44Å; T61-D98 PolarHBondContact N-OD2 3.28Å; T61-D98 PolarHBondContact OG1-OD1 2.88Å; T61-D98 PolarHBondContact OG1-OD2 3.3Å; T96-D98 PolarHBondContact O-N 3.36Å
99K94.2Very high94.2Very high112 Ų11248.5 Ų48.549%0.48724%0.242SC..EExtended strand (participates in β ladder)trans-150.6139.8-176-169.3175.9-178.1-178.30112.5T59 N101T59-K99 PolarHBondContact N-O 2.87Å; T59-K99 PolarHBondContact O-N 2.79Å; T59-K99 WeakPolarHBondContact OG1-CB 3.4Å; T59-K99 PolarHBondContact OG1-N 2.81Å; T59-K99 PolarHBondContact OG1-O 2.83Å; T59-K99 VanDerWaalsContact OG1-O 3.1Å; K99-N101 VanDerWaalsContact CE-OD1 3.29Å; K99-N101 WeakPolarHBondContact CE-OD1 3.27Å
100I92.9Very high93.9Very high3 Ų344.3 Ų44.32%0.01523%0.231CC..EExtended strand (participates in β ladder)trans-103.5110171.4-59172.6000107.8M1 A3 E16 V41 V58 I97M1-I100 HydrophobicContact CE-CB 4.03Å; M1-I100 HydrophobicContact CE-CG2 4.14Å; M1-I100 WeakPolarHBondContact CE-O 3.37Å; A3-I100 HydrophobicContact CB-CD1 4.17Å; A3-I100 HydrophobicContact CB-CG2 3.92Å; E16-I100 HydrophobicContact CG-CB 4.28Å; E16-I100 HydrophobicContact CG-CD1 3.97Å; E16-I100 HydrophobicContact CG-CG1 3.79Å; E16-I100 PolarHBondContact OE1-N 3.2Å; V41-I100 HydrophobicContact CG1-CG2 4.4Å; V58-I100 HydrophobicContact CG1-CG1 4.38Å; V58-I100 HydrophobicContact CG2-CG1 4.18Å; V58-I100 HydrophobicContact CG2-CG2 4.24Å; I97-I100 HydrophobicContact CG2-CG1 4.31Å
101N88.4Confident93.7Very high65 Ų6540.2 Ų40.235%0.34821%0.213SC..EExtended strand (participates in β ladder)trans-91.9135.2167.7-77.7-27.3000109.1A56 T57 K99A56-N101 CarbonylContact C-O 3.51Å; A56-N101 WeakPolarHBondContact CA-O 3.37Å; A56-N101 WeakPolarHBondContact CB-O 3.5Å; T57-N101 PolarHBondContact N-O 2.96Å; T57-N101 PolarHBondContact O-N 2.82Å; T57-N101 WeakPolarHBondContact OG1-CB 3.41Å; K99-N101 VanDerWaalsContact CE-OD1 3.29Å; K99-N101 WeakPolarHBondContact CE-OD1 3.27Å
102A78.4Confident93.5Very high54 Ų5440.1 Ų40.145%0.44621%0.208SC..  trans-124.70-169.400000112.6V41 K47V41-A102 HydrophobicContact CB-CB 4.36Å; V41-A102 HydrophobicContact CG1-CB 3.78Å; V41-A102 HydrophobicContact CG2-CB 4.23Å; K47-A102 HydrophobicContact CD-CB 4.43Å; K47-A102 PolarHBondContact NZ-O 3.32Å; K47-A102 PolarHBondContact NZ-OXT 3.03Å

Retrieved 102 of 102 residues in 359.7 ms (Link to these results)

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