A0A087YBQ5_POEFO Loading...

WD repeat domain, phosphoinositide interacting 2

AlphaFold DB , UniProt , Accession A0A087YBQ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 427 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
1M89.9Confident63.9Low30 Ų3069.9 Ų69.915%0.14850%0.498CS..  0127.2052.4177-166.700110.2L3 L15 F17 A18 I317M1-L3 HydrophobicContact CB-CD2 4.39Å; M1-L3 HydrophobicContact CE-CD1 3.84Å; M1-L3 HydrophobicContact CG-CD2 4.37Å; M1-L3 HydrophobicContact CG-CG 4.43Å; M1-L3 HydrophobicContact SD-CD1 4.25Å; M1-L3 HydrophobicContact SD-CD2 3.99Å; M1-L3 HydrophobicContact SD-CG 4.36Å; M1-L15 HydrophobicContact CE-CD2 4.06Å; M1-F17 WeakPolarHBondContact O-CA 3.24Å; M1-F17 WeakPolarHBondContact O-CD2 3.47Å; M1-A18 HydrophobicContact CE-CB 3.53Å; M1-A18 HydrophobicContact CG-CB 4.22Å; M1-A18 VanDerWaalsContact CG-O 3.3Å; M1-A18 WeakPolarHBondContact CG-O 3.5Å; M1-A18 PolarHBondContact N-O 3Å; M1-A18 PolarHBondContact O-N 2.79Å; M1-A18 VanDerWaalsContact O-N 3.11Å; M1-I317 HydrophobicContact CB-CG2 3.73Å; M1-I317 HydrophobicContact CG-CD1 4.29Å; M1-I317 HydrophobicContact CG-CG1 4.18Å; M1-I317 HydrophobicContact CG-CG2 3.92Å; M1-I317 HydrophobicContact SD-CG1 4.32Å; M1-I317 HydrophobicContact SD-CG2 4.44Å
2N87.5Confident62.8Low53 Ų5370.8 Ų70.828%0.28353%0.526SS..BIsolated β-bridgetrans-95.7124.6168.4-172.9-16000108.5A4 F17 C59N2-A4 WeakPolarHBondContact OD1-CB 3.48Å; N2-A4 PolarHBondContact OD1-N 3.28Å; N2-F17 HydrophobicContact CB-CD2 4.13Å; N2-F17 HydrophobicContact CB-CE2 4.5Å; N2-C59 PolarHBondContact OD1-O 2.7Å
3L86.2Confident62.9Low6 Ų669.2 Ų69.23%0.03151%0.512CS..  trans-111.14-175.1-56.1176.7000112.3M1 S5 L6 L15 L16 K315 A334M1-L3 HydrophobicContact CB-CD2 4.39Å; M1-L3 HydrophobicContact CE-CD1 3.84Å; M1-L3 HydrophobicContact CG-CD2 4.37Å; M1-L3 HydrophobicContact CG-CG 4.43Å; M1-L3 HydrophobicContact SD-CD1 4.25Å; M1-L3 HydrophobicContact SD-CD2 3.99Å; M1-L3 HydrophobicContact SD-CG 4.36Å; L3-S5 PolarHBondContact O-N 3.04Å; L3-S5 VanDerWaalsContact O-N 3.16Å; L3-L6 HydrophobicContact CD2-CD1 3.98Å; L3-L6 WeakPolarHBondContact O-CB 3.46Å; L3-L6 PolarHBondContact O-N 3.31Å; L3-L15 HydrophobicContact CD1-CD2 3.7Å; L3-L15 HydrophobicContact CD1-CG 3.89Å; L3-L16 WeakPolarHBondContact CA-O 3.25Å; L3-L16 WeakPolarHBondContact CB-O 3.11Å; L3-L16 PolarHBondContact N-O 3.21Å; L3-K315 HydrophobicContact CD2-CB 3.85Å; L3-K315 HydrophobicContact CD2-CD 4.02Å; L3-K315 HydrophobicContact CD2-CG 4.5Å; L3-A334 HydrophobicContact CD1-CB 3.77Å; L3-A334 HydrophobicContact CD2-CB 3.89Å; L3-A334 HydrophobicContact CG-CB 4.49Å
4A80.5Confident64.4Low23 Ų2371.7 Ų71.719%0.1951%0.51CS..G310 helixtrans-53.9-36.2-178.700000114.1N2 L6 S7 C59 L75N2-A4 WeakPolarHBondContact OD1-CB 3.48Å; N2-A4 PolarHBondContact OD1-N 3.28Å; A4-L6 PolarHBondContact O-N 2.93Å; A4-S7 PolarHBondContact O-OG 3.24Å; A4-C59 HydrophobicContact CB-CB 4.06Å; A4-L75 HydrophobicContact CB-CD2 3.57Å
5S72.2Confident66.2Low99 Ų9967.7 Ų67.769%0.69248%0.48SS*.G310 helixtrans-72.5-12.1178.971.10000113.6L3L3-S5 PolarHBondContact O-N 3.04Å; L3-S5 VanDerWaalsContact O-N 3.16Å
6L63.7Low68Low99 Ų9963.5 Ų63.552%0.51845%0.45SS..G310 helixtrans-100.1-9-177.7-63.4172.6000112.7L3 A4 G8 K315L3-L6 HydrophobicContact CD2-CD1 3.98Å; L3-L6 WeakPolarHBondContact O-CB 3.46Å; L3-L6 PolarHBondContact O-N 3.31Å; A4-L6 PolarHBondContact O-N 2.93Å; L6-G8 PolarHBondContact O-N 3.32Å; L6-G8 VanDerWaalsContact O-N 3.14Å; L6-K315 HydrophobicContact CD1-CD 3.74Å; L6-K315 HydrophobicContact CD1-CG 4.04Å
7S55Low69.7Low45 Ų4560.2 Ų60.232%0.31543%0.426SS..THydrogen-bonded Turntrans-79.913.1-176.6610000114.6A4A4-S7 PolarHBondContact O-OG 3.24Å
8G45Very low71.2Confident74 Ų7456.9 Ų56.976%0.76340%0.402SS*.THydrogen-bonded Turntrans-86-6.3-172.300000116.2L6L6-G8 PolarHBondContact O-N 3.32Å; L6-G8 VanDerWaalsContact O-N 3.14Å
9D39.3Very low72.6Confident152 Ų15255.3 Ų55.381%0.81339%0.389SS*.SBendtrans-114.9144.6-179.8-111.2-23.9000112.7G11D9-G11 PolarHBondContact O-N 3.01Å
10A38.6Very low73.9Confident107 Ų10753.2 Ų53.288%0.88437%0.372SS*.SBendtrans-55.8118.1-169.600000113.6
11G44.9Very low75.1Confident81 Ų8150.9 Ų50.984%0.83536%0.355SS*.SBendtrans86.1120.9166.400000115.4D9D9-G11 PolarHBondContact O-N 3.01Å
12G51.4Low75.4Confident81 Ų8150.7 Ų50.784%0.83535%0.354SS*.  trans155.9-70.7156.500000116.5
13S63Low75.9Confident49 Ų4950.2 Ų50.234%0.34335%0.352SS..  trans-116.1123.7-163.3-164.30000113.2L15S13-L15 PolarHBondContact O-N 3.12Å; S13-L15 VanDerWaalsContact OG-CB 3.27Å; S13-L15 WeakPolarHBondContact OG-CB 3.48Å; S13-L15 PolarHBondContact OG-N 2.87Å
14Q84.2Confident76.4Confident105 Ų10550.8 Ų50.849%0.49136%0.355SS..  trans-72.7-11.1167.9-65.3-169.46.800112.1T31 K32Q14-T31 CarbonylContact O-C 3.52Å; Q14-T31 WeakPolarHBondContact O-CA 3.49Å; Q14-T31 WeakPolarHBondContact O-CB 3.47Å; Q14-K32 PolarHBondContact O-N 3.19Å
15L91.9Very high77.1Confident12 Ų1252.3 Ų52.36%0.06336%0.362CS..EExtended strand (participates in β ladder)trans-76.4121.7-174.9-171.567.9000111.4M1 L3 S13 F17 V29M1-L15 HydrophobicContact CE-CD2 4.06Å; L3-L15 HydrophobicContact CD1-CD2 3.7Å; L3-L15 HydrophobicContact CD1-CG 3.89Å; S13-L15 PolarHBondContact O-N 3.12Å; S13-L15 VanDerWaalsContact OG-CB 3.27Å; S13-L15 WeakPolarHBondContact OG-CB 3.48Å; S13-L15 PolarHBondContact OG-N 2.87Å; L15-F17 WeakPolarHBondContact CD1-O 3.24Å; L15-V29 HydrophobicContact CD1-CB 4.49Å; L15-V29 HydrophobicContact CD1-CG1 3.42Å; L15-V29 VanDerWaalsContact CD1-CG1 3.42Å
16L95Very high78.3Confident0 Ų047.7 Ų47.70%033%0.329CS..EExtended strand (participates in β ladder)trans-109.4-25.5175.9-63.3-179.4000112.3L3 G30 K32 D57 V58 L75L3-L16 WeakPolarHBondContact CA-O 3.25Å; L3-L16 WeakPolarHBondContact CB-O 3.11Å; L3-L16 PolarHBondContact N-O 3.21Å; L16-G30 PolarHBondContact N-O 3.42Å; L16-K32 HydrophobicContact CD1-CG 4Å; L16-K32 HydrophobicContact CD2-CG 4.14Å; L16-K32 HydrophobicContact CG-CG 4.1Å; L16-D57 HydrophobicContact CD1-CB 4.37Å; L16-V58 WeakPolarHBondContact CB-O 2.99Å; L16-L75 HydrophobicContact CD1-CD1 3.76Å; L16-L75 HydrophobicContact CD1-CG 4.42Å; L16-L75 HydrophobicContact CD2-CD1 4.2Å
17F96.6Very high80Confident8 Ų843 Ų434%0.03531%0.305CS..EExtended strand (participates in β ladder)trans-152144.5-178.4-174-93.4000111.1M1 N2 L15 N19 V29 G30 C59 I60 V61 E62M1-F17 WeakPolarHBondContact O-CA 3.24Å; M1-F17 WeakPolarHBondContact O-CD2 3.47Å; N2-F17 HydrophobicContact CB-CD2 4.13Å; N2-F17 HydrophobicContact CB-CE2 4.5Å; L15-F17 WeakPolarHBondContact CD1-O 3.24Å; F17-N19 HydrophobicContact CE1-CB 3.47Å; F17-N19 VanDerWaalsContact CE1-CB 3.47Å; F17-N19 HydrophobicContact CZ-CB 3.63Å; F17-V29 CarbonylContact O-C 3.58Å; F17-V29 WeakPolarHBondContact O-CA 3.1Å; F17-G30 PolarHBondContact N-O 2.96Å; F17-G30 PolarHBondContact O-N 3.48Å; F17-C59 WeakPolarHBondContact CB-O 3.46Å; F17-C59 WeakPolarHBondContact CD2-O 3.42Å; F17-I60 HydrophobicContact CD2-CB 4.49Å; F17-I60 HydrophobicContact CD2-CG1 4.47Å; F17-I60 HydrophobicContact CE2-CB 4.36Å; F17-I60 HydrophobicContact CE2-CG1 4.42Å; F17-I60 HydrophobicContact CE2-CG2 4.08Å; F17-I60 HydrophobicContact CZ-CG2 4.23Å; F17-V61 HydrophobicContact CD1-CG1 3.61Å; F17-V61 HydrophobicContact CE1-CG1 4.19Å; F17-V61 WeakPolarHBondContact CE1-O 3.39Å; F17-V61 HydrophobicContact CG-CG1 4.43Å; F17-E62 HydrophobicContact CZ-CG 4.19Å
18A97.1Very high82Confident0 Ų041 Ų410%029%0.291CS..EExtended strand (participates in β ladder)trans-143.5139.1161.400000110.1M1 A28 V29 I317M1-A18 HydrophobicContact CE-CB 3.53Å; M1-A18 HydrophobicContact CG-CB 4.22Å; M1-A18 VanDerWaalsContact CG-O 3.3Å; M1-A18 WeakPolarHBondContact CG-O 3.5Å; M1-A18 PolarHBondContact N-O 3Å; M1-A18 PolarHBondContact O-N 2.79Å; M1-A18 VanDerWaalsContact O-N 3.11Å; A18-A28 CarbonylContact C-O 3.57Å; A18-A28 WeakPolarHBondContact CA-O 3.09Å; A18-V29 HydrophobicContact CB-CG2 4.44Å; A18-I317 HydrophobicContact CB-CD1 4.43Å; A18-I317 VanDerWaalsContact O-CD1 3.26Å; A18-I317 WeakPolarHBondContact O-CD1 3.48Å
19N98Very high84.5Confident27 Ų2737.5 Ų37.514%0.14426%0.255CS..EExtended strand (participates in β ladder)trans-151.2143.7170.1-159.734.5000112.6F17 A28 E62 K105 I317F17-N19 HydrophobicContact CE1-CB 3.47Å; F17-N19 VanDerWaalsContact CE1-CB 3.47Å; F17-N19 HydrophobicContact CZ-CB 3.63Å; N19-A28 PolarHBondContact N-O 2.88Å; N19-A28 PolarHBondContact O-N 2.97Å; N19-E62 VanDerWaalsContact ND2-CD 3.34Å; N19-E62 PolarHBondContact ND2-OE1 3.07Å; N19-E62 PolarHBondContact ND2-OE2 3.06Å; N19-K105 PolarHBondContact ND2-NZ 3.22Å; N19-I317 VanDerWaalsContact CA-CD1 3.47Å
20F98.4Very high87.2Confident12 Ų1230.3 Ų30.35%0.05322%0.217CC..EExtended strand (participates in β ladder)trans-73.2144.8167.7-62-78.2000109.3L27 L40 I317 A319 L330 A332 L338F20-L27 HydrophobicContact CD1-CD1 3.86Å; F20-L27 HydrophobicContact CE1-CD1 3.84Å; F20-L27 HydrophobicContact CG-CD1 4.23Å; F20-L27 HydrophobicContact CZ-CD1 4.21Å; F20-L40 HydrophobicContact CD1-CD1 3.61Å; F20-L40 HydrophobicContact CE1-CD1 3.83Å; F20-I317 HydrophobicContact CD2-CD1 3.77Å; F20-I317 HydrophobicContact CD2-CG1 4.21Å; F20-I317 HydrophobicContact CE2-CB 4.43Å; F20-I317 HydrophobicContact CE2-CD1 3.87Å; F20-I317 HydrophobicContact CE2-CG1 3.88Å; F20-A319 HydrophobicContact CB-CB 4.26Å; F20-A319 HydrophobicContact CD1-CB 3.95Å; F20-A319 HydrophobicContact CD2-CB 3.46Å; F20-A319 VanDerWaalsContact CD2-CB 3.46Å; F20-A319 HydrophobicContact CE1-CB 4.14Å; F20-A319 HydrophobicContact CE2-CB 3.68Å; F20-A319 HydrophobicContact CG-CB 3.61Å; F20-A319 HydrophobicContact CZ-CB 4.02Å; F20-L330 HydrophobicContact CE1-CB 3.8Å; F20-L330 HydrophobicContact CE1-CD1 3.95Å; F20-L330 HydrophobicContact CZ-CB 3.68Å; F20-A332 HydrophobicContact CE2-CB 4.42Å; F20-A332 HydrophobicContact CZ-CB 4.18Å; F20-L338 HydrophobicContact CE1-CD1 4.14Å; F20-L338 HydrophobicContact CZ-CD1 4.01Å
21N97.8Very high89.9Confident5 Ų525.5 Ų25.53%0.02718%0.176CC..  trans-71.9170.2168.876.4-23.8000110.8D23 N24 T25 S26 F65N21-D23 PolarHBondContact ND2-OD1 3.28Å; N21-D23 PolarHBondContact O-N 3.02Å; N21-D23 VanDerWaalsContact O-N 3.09Å; N21-D23 PolarHBondContact OD1-OD1 3.01Å; N21-D23 VanDerWaalsContact OD1-OD1 3.1Å; N21-N24 PolarHBondContact O-N 3.24Å; N21-N24 PolarHBondContact O-OD1 2.68Å; N21-N24 PolarHBondContact OD1-N 3.15Å; N21-T25 PolarHBondContact ND2-OG1 2.9Å; N21-T25 PolarHBondContact OD1-N 2.83Å; N21-S26 PolarHBondContact N-O 3.14Å; N21-S26 PolarHBondContact ND2-OG 3.02Å; N21-S26 PolarHBondContact OD1-N 2.83Å; N21-S26 PolarHBondContact OD1-O 3.26Å; N21-S26 VanDerWaalsContact OD1-O 3.13Å; N21-F65 VanDerWaalsContact ND2-C 3.28Å; N21-F65 PolarHBondContact ND2-O 2.96Å
22Q98.1Very high92.2Very high26 Ų2626.2 Ų26.212%0.12116%0.156CC..THydrogen-bonded Turntrans-59.7-26.2-168.1-66.182.7-6.500114.6R63 F65 L106 I148 M240Q22-R63 PolarHBondContact NE2-O 3.16Å; Q22-R63 PolarHBondContact OE1-O 2.9Å; Q22-F65 HydrophobicContact CB-CD1 3.73Å; Q22-F65 HydrophobicContact CB-CD2 4.42Å; Q22-F65 HydrophobicContact CB-CE1 3.47Å; Q22-F65 VanDerWaalsContact CB-CE1 3.47Å; Q22-F65 HydrophobicContact CB-CE2 4.18Å; Q22-F65 HydrophobicContact CB-CG 4.2Å; Q22-F65 HydrophobicContact CB-CZ 3.72Å; Q22-F65 HydrophobicContact CG-CD2 4.46Å; Q22-F65 HydrophobicContact CG-CE1 4.33Å; Q22-F65 HydrophobicContact CG-CE2 4.16Å; Q22-F65 HydrophobicContact CG-CZ 4.1Å; Q22-L106 WeakPolarHBondContact CG-O 3.13Å; Q22-L106 PolarHBondContact NE2-O 3.06Å; Q22-I148 HydrophobicContact CB-CB 4.45Å; Q22-I148 HydrophobicContact CB-CG2 3.74Å; Q22-I148 HydrophobicContact CG-CG2 3.84Å; Q22-I148 WeakPolarHBondContact O-CD1 3.34Å; Q22-M240 VanDerWaalsContact O-CE 3.27Å; Q22-M240 WeakPolarHBondContact O-CE 3.34Å
23D96.6Very high94.2Very high43 Ų4324.6 Ų24.623%0.2313%0.133CC..THydrogen-bonded Turntrans-109.211.1-179.658.110.7000112.9N21 T25 F65 M240N21-D23 PolarHBondContact ND2-OD1 3.28Å; N21-D23 PolarHBondContact O-N 3.02Å; N21-D23 VanDerWaalsContact O-N 3.09Å; N21-D23 PolarHBondContact OD1-OD1 3.01Å; N21-D23 VanDerWaalsContact OD1-OD1 3.1Å; D23-T25 HydrophobicContact CB-CG2 4.22Å; D23-T25 PolarHBondContact O-N 3.33Å; D23-T25 VanDerWaalsContact O-N 3.17Å; D23-T25 WeakPolarHBondContact OD1-CB 3.44Å; D23-T25 WeakPolarHBondContact OD1-CG2 3.32Å; D23-T25 PolarHBondContact OD1-N 2.77Å; D23-T25 PolarHBondContact OD1-OG1 2.98Å; D23-F65 HydrophobicContact CB-CD1 4.09Å; D23-F65 HydrophobicContact CB-CE1 4.49Å; D23-M240 VanDerWaalsContact C-CE 3.47Å; D23-M240 VanDerWaalsContact CA-CE 3.45Å
24N96.8Very high95.7Very high18 Ų1822.4 Ų22.410%0.09612%0.118CC..SBendtrans55.527-179.7-56.6-29.4000114N21 M240 A319 L320 A321N21-N24 PolarHBondContact O-N 3.24Å; N21-N24 PolarHBondContact O-OD1 2.68Å; N21-N24 PolarHBondContact OD1-N 3.15Å; N24-M240 HydrophobicContact CB-CE 4.19Å; N24-M240 VanDerWaalsContact ND2-CE 3.25Å; N24-M240 WeakPolarHBondContact ND2-CE 3.25Å; N24-A319 HydrophobicContact CB-CB 4.27Å; N24-L320 PolarHBondContact ND2-O 3.31Å; N24-A321 HydrophobicContact CB-CB 3.99Å
25T96.8Very high96.3Very high55 Ų5517.7 Ų17.734%0.33710%0.095SC..SBendtrans-94.7-18179.7620000113.5N21 D23 L40 S66N21-T25 PolarHBondContact ND2-OG1 2.9Å; N21-T25 PolarHBondContact OD1-N 2.83Å; D23-T25 HydrophobicContact CB-CG2 4.22Å; D23-T25 PolarHBondContact O-N 3.33Å; D23-T25 VanDerWaalsContact O-N 3.17Å; D23-T25 WeakPolarHBondContact OD1-CB 3.44Å; D23-T25 WeakPolarHBondContact OD1-CG2 3.32Å; D23-T25 PolarHBondContact OD1-N 2.77Å; D23-T25 PolarHBondContact OD1-OG1 2.98Å; T25-L40 PolarHBondContact O-N 3.27Å; T25-S66 PolarHBondContact OG1-OG 2.84Å
26S97.2Very high96.5Very high2 Ų217.9 Ų17.91%0.01410%0.096CC..EExtended strand (participates in β ladder)trans-144.5154.1176.262.20000112.8N21 F38 R63N21-S26 PolarHBondContact N-O 3.14Å; N21-S26 PolarHBondContact ND2-OG 3.02Å; N21-S26 PolarHBondContact OD1-N 2.83Å; N21-S26 PolarHBondContact OD1-O 3.26Å; N21-S26 VanDerWaalsContact OD1-O 3.13Å; S26-F38 CarbonylContact C-O 3.6Å; S26-F38 WeakPolarHBondContact CA-O 3.19Å; S26-F38 WeakPolarHBondContact CB-O 3.23Å; S26-R63 PolarHBondContact OG-NH1 3.37Å; S26-R63 VanDerWaalsContact OG-NH1 3.08Å
27L98.1Very high96.6Very high0 Ų017.9 Ų17.90%010%0.096CC..EExtended strand (participates in β ladder)trans-110.8126175.7-17872.3000109.3F20 V29 F37 F38 L40 A332 L338 L359F20-L27 HydrophobicContact CD1-CD1 3.86Å; F20-L27 HydrophobicContact CE1-CD1 3.84Å; F20-L27 HydrophobicContact CG-CD1 4.23Å; F20-L27 HydrophobicContact CZ-CD1 4.21Å; L27-V29 HydrophobicContact CD2-CG2 4.02Å; L27-V29 HydrophobicContact CG-CG2 4.08Å; L27-F37 CarbonylContact O-C 3.6Å; L27-F37 WeakPolarHBondContact O-CA 3.24Å; L27-F38 HydrophobicContact CB-CB 4.44Å; L27-F38 PolarHBondContact N-O 2.95Å; L27-F38 PolarHBondContact O-N 2.89Å; L27-L40 HydrophobicContact CB-CD1 4.27Å; L27-L40 HydrophobicContact CB-CD2 4.31Å; L27-L40 HydrophobicContact CB-CG 4.5Å; L27-A332 HydrophobicContact CD1-CB 4.1Å; L27-A332 HydrophobicContact CD2-CB 4.37Å; L27-L338 HydrophobicContact CD2-CD1 4.43Å; L27-L338 HydrophobicContact CD2-CD2 4.34Å; L27-L359 HydrophobicContact CD2-CD1 4.14Å; L27-L359 HydrophobicContact CD2-CD2 3.58Å
28A97.9Very high96.6Very high4 Ų417.9 Ų17.93%0.03310%0.096CC..EExtended strand (participates in β ladder)trans-94134.1170.700000109.9A18 N19 F37 V61A18-A28 CarbonylContact C-O 3.57Å; A18-A28 WeakPolarHBondContact CA-O 3.09Å; N19-A28 PolarHBondContact N-O 2.88Å; N19-A28 PolarHBondContact O-N 2.97Å; A28-F37 HydrophobicContact CB-CD1 3.72Å; A28-F37 HydrophobicContact CB-CE1 3.55Å; A28-V61 HydrophobicContact CB-CG1 4.28Å; A28-V61 WeakPolarHBondContact CB-O 3.25Å
29V97.4Very high96.6Very high1 Ų118.9 Ų18.91%0.00610%0.103CC..EExtended strand (participates in β ladder)trans-131.1124.1-178.5168.70000108.9L15 F17 A18 L27 T31 Y35 K36 F38 L359L15-V29 HydrophobicContact CD1-CB 4.49Å; L15-V29 HydrophobicContact CD1-CG1 3.42Å; L15-V29 VanDerWaalsContact CD1-CG1 3.42Å; F17-V29 CarbonylContact O-C 3.58Å; F17-V29 WeakPolarHBondContact O-CA 3.1Å; A18-V29 HydrophobicContact CB-CG2 4.44Å; L27-V29 HydrophobicContact CD2-CG2 4.02Å; L27-V29 HydrophobicContact CG-CG2 4.08Å; V29-T31 HydrophobicContact CG1-CG2 3.94Å; V29-Y35 CarbonylContact O-C 3.49Å; V29-Y35 WeakPolarHBondContact O-CA 3.42Å; V29-Y35 WeakPolarHBondContact O-CB 3.43Å; V29-K36 PolarHBondContact N-O 2.84Å; V29-K36 PolarHBondContact O-N 3.4Å; V29-F38 HydrophobicContact CB-CE2 4.09Å; V29-F38 HydrophobicContact CG2-CD2 4.03Å; V29-F38 HydrophobicContact CG2-CE2 3.85Å; V29-L359 HydrophobicContact CG2-CD1 4.23Å; V29-L359 HydrophobicContact CG2-CD2 4.31Å
30G96.6Very high96.5Very high0 Ų018 Ų180%010%0.098CC..EExtended strand (participates in β ladder)trans-106.6137.2172.400000110.2L16 F17 V58L16-G30 PolarHBondContact N-O 3.42Å; F17-G30 PolarHBondContact N-O 2.96Å; F17-G30 PolarHBondContact O-N 3.48Å; G30-V58 CarbonylContact C-O 3.5Å; G30-V58 WeakPolarHBondContact CA-O 3.42Å
31T95Very high96.2Very high6 Ų620.8 Ų20.84%0.03712%0.119CC..EExtended strand (participates in β ladder)trans-132.3172.9-177.869.60000111.1Q14 V29 S33 G34 V58Q14-T31 CarbonylContact O-C 3.52Å; Q14-T31 WeakPolarHBondContact O-CA 3.49Å; Q14-T31 WeakPolarHBondContact O-CB 3.47Å; V29-T31 HydrophobicContact CG1-CG2 3.94Å; T31-S33 PolarHBondContact O-N 3.32Å; T31-S33 PolarHBondContact OG1-N 2.74Å; T31-S33 PolarHBondContact OG1-OG 2.84Å; T31-G34 PolarHBondContact N-O 2.7Å; T31-G34 PolarHBondContact O-N 2.87Å; T31-G34 PolarHBondContact OG1-N 2.78Å; T31-G34 VanDerWaalsContact OG1-N 3.11Å; T31-G34 PolarHBondContact OG1-O 2.95Å; T31-V58 PolarHBondContact O-N 2.84Å
32K92.9Very high96Very high96 Ų9621.8 Ų21.842%0.41713%0.126SC..THydrogen-bonded Turntrans-59.9-30.9169.8-65.9-174178.2-175.90112.7Q14 L16 E56 D57Q14-K32 PolarHBondContact O-N 3.19Å; L16-K32 HydrophobicContact CD1-CG 4Å; L16-K32 HydrophobicContact CD2-CG 4.14Å; L16-K32 HydrophobicContact CG-CG 4.1Å; K32-E56 WeakPolarHBondContact O-CA 3.28Å; K32-E56 WeakPolarHBondContact O-CB 3.43Å; K32-D57 PolarHBondContact O-N 3.22Å
33S92.7Very high95.7Very high48 Ų4820.8 Ų20.834%0.33612%0.122SC..THydrogen-bonded Turntrans-95.5-6.5-176.252.30000114.9T31 T53T31-S33 PolarHBondContact O-N 3.32Å; T31-S33 PolarHBondContact OG1-N 2.74Å; T31-S33 PolarHBondContact OG1-OG 2.84Å; S33-T53 WeakPolarHBondContact O-CA 3.46Å
34G94.8Very high95.5Very high3 Ų324.1 Ų24.13%0.03114%0.14CC..EExtended strand (participates in β ladder)trans160.3-159.6-167.900000115.4T31 C52 T55T31-G34 PolarHBondContact N-O 2.7Å; T31-G34 PolarHBondContact O-N 2.87Å; T31-G34 PolarHBondContact OG1-N 2.78Å; T31-G34 VanDerWaalsContact OG1-N 3.11Å; T31-G34 PolarHBondContact OG1-O 2.95Å; G34-C52 CarbonylContact C-O 3.58Å; G34-C52 WeakPolarHBondContact CA-O 3.16Å; G34-T55 VanDerWaalsContact CA-O 3.26Å; G34-T55 WeakPolarHBondContact CA-O 3.22Å
35Y95.9Very high95.3Very high6 Ų630.3 Ų30.32%0.02417%0.166CC..EExtended strand (participates in β ladder)trans-141.4154.4165.366.1-85.8000111.6V29 F37 Y50 E51 C52 V58 V61 I72V29-Y35 CarbonylContact O-C 3.49Å; V29-Y35 WeakPolarHBondContact O-CA 3.42Å; V29-Y35 WeakPolarHBondContact O-CB 3.43Å; Y35-F37 AromaticContact CD2-CE2 3.84Å; Y35-F37 HydrophobicContact CD2-CE2 3.84Å; Y35-F37 AromaticContact CD2-CZ 3.83Å; Y35-F37 HydrophobicContact CD2-CZ 3.83Å; Y35-F37 HydrophobicContact CE2-CD2 4.48Å; Y35-F37 AromaticContact CE2-CE2 3.58Å; Y35-F37 HydrophobicContact CE2-CE2 3.58Å; Y35-F37 AromaticContact CE2-CZ 3.86Å; Y35-F37 HydrophobicContact CE2-CZ 3.86Å; Y35-Y50 AromaticContact CE2-CD1 3.96Å; Y35-Y50 HydrophobicContact CE2-CD1 3.96Å; Y35-Y50 AromaticContact CE2-CE1 3.7Å; Y35-Y50 HydrophobicContact CE2-CE1 3.7Å; Y35-Y50 AromaticContact CZ-CE1 3.86Å; Y35-E51 WeakPolarHBondContact O-CA 3.5Å; Y35-C52 HydrophobicContact CD1-CB 3.84Å; Y35-C52 HydrophobicContact CD2-CB 4.49Å; Y35-C52 HydrophobicContact CE1-CB 3.31Å; Y35-C52 WeakPolarHBondContact CE1-SG 3.27Å; Y35-C52 HydrophobicContact CE2-CB 4.03Å; Y35-C52 HydrophobicContact CG-CB 4.42Å; Y35-C52 VanDerWaalsContact CZ-CB 3.41Å; Y35-C52 PolarHBondContact N-O 3.02Å; Y35-C52 PolarHBondContact O-N 3.46Å; Y35-V58 HydrophobicContact CD1-CG2 4.12Å; Y35-V61 HydrophobicContact CD2-CG2 3.82Å; Y35-V61 HydrophobicContact CG-CG2 4.03Å; Y35-I72 HydrophobicContact CD1-CD1 4.29Å; Y35-I72 HydrophobicContact CE1-CD1 3.55Å
36K96.3Very high95.1Very high16 Ų1629.1 Ų29.17%0.0716%0.157CC..EExtended strand (participates in β ladder)trans-134150.5-177.4-55.9-174.5-177.4-131.60110.9V29 F38 Y50 E51 S361V29-K36 PolarHBondContact N-O 2.84Å; V29-K36 PolarHBondContact O-N 3.4Å; K36-F38 HydrophobicContact CB-CE2 3.81Å; K36-F38 HydrophobicContact CB-CZ 3.96Å; K36-F38 HydrophobicContact CD-CE2 4.41Å; K36-F38 HydrophobicContact CD-CZ 3.87Å; K36-Y50 WeakPolarHBondContact CA-O 3.45Å; K36-E51 VanDerWaalsContact CE-CD 3.48Å; K36-E51 WeakPolarHBondContact CE-OE1 3.33Å; K36-E51 HydrophobicContact CG-CB 4.2Å; K36-E51 HydrophobicContact CG-CG 4.11Å; K36-E51 IonicContact NZ-OE1 3.86Å; K36-E51 PolarHBondContact NZ-OE1 2.73Å; K36-E51 IonicContact NZ-OE2 3.73Å; K36-E51 PolarHBondContact NZ-OE2 2.92Å; K36-S361 WeakPolarHBondContact CE-OG 3.34Å; K36-S361 PolarHBondContact NZ-OG 3.37Å
37F97.1Very high95Very high0 Ų034.2 Ų34.20%018%0.181CC..EExtended strand (participates in β ladder)trans-119.3134168.1-62.1-59.6000109.8L27 A28 Y35 Q48 I49 Y50 V61 R63 V70 F86L27-F37 CarbonylContact O-C 3.6Å; L27-F37 WeakPolarHBondContact O-CA 3.24Å; A28-F37 HydrophobicContact CB-CD1 3.72Å; A28-F37 HydrophobicContact CB-CE1 3.55Å; Y35-F37 AromaticContact CD2-CE2 3.84Å; Y35-F37 HydrophobicContact CD2-CE2 3.84Å; Y35-F37 AromaticContact CD2-CZ 3.83Å; Y35-F37 HydrophobicContact CD2-CZ 3.83Å; Y35-F37 HydrophobicContact CE2-CD2 4.48Å; Y35-F37 AromaticContact CE2-CE2 3.58Å; Y35-F37 HydrophobicContact CE2-CE2 3.58Å; Y35-F37 AromaticContact CE2-CZ 3.86Å; Y35-F37 HydrophobicContact CE2-CZ 3.86Å; F37-Q48 CarbonylContact O-C 3.58Å; F37-I49 HydrophobicContact CB-CB 4Å; F37-I49 HydrophobicContact CB-CD1 4.48Å; F37-I49 PolarHBondContact O-N 2.75Å; F37-Y50 HydrophobicContact CD2-CD1 4.02Å; F37-Y50 HydrophobicContact CE2-CD1 4.17Å; F37-Y50 PolarHBondContact N-O 3.42Å; F37-V61 HydrophobicContact CE1-CG2 3.83Å; F37-V61 HydrophobicContact CZ-CG2 3.73Å; F37-R63 HydrophobicContact CD1-CB 4.34Å; F37-R63 HydrophobicContact CE1-CB 3.81Å; F37-R63 HydrophobicContact CE1-CG 4.45Å; F37-R63 HydrophobicContact CZ-CB 4.24Å; F37-V70 HydrophobicContact CE1-CG2 4.41Å; F37-V70 HydrophobicContact CE2-CG1 4.46Å; F37-V70 HydrophobicContact CE2-CG2 3.58Å; F37-V70 HydrophobicContact CZ-CB 4.23Å; F37-V70 HydrophobicContact CZ-CG1 3.72Å; F37-V70 HydrophobicContact CZ-CG2 3.36Å; F37-F86 HydrophobicContact CD2-CD1 4.48Å; F37-F86 HydrophobicContact CD2-CE1 4.15Å; F37-F86 HydrophobicContact CD2-CZ 4.34Å; F37-F86 AromaticContact CE2-CD1 3.96Å; F37-F86 HydrophobicContact CE2-CD1 3.96Å; F37-F86 AromaticContact CE2-CE1 3.98Å; F37-F86 HydrophobicContact CE2-CE1 3.98Å; F37-F86 HydrophobicContact CE2-CG 4.48Å
38F97.4Very high94.8Very high8 Ų838.3 Ų38.34%0.03520%0.2CC..EExtended strand (participates in β ladder)trans-117.7140.4176.7-59.5-80.1000110.9S26 L27 V29 K36 L46 E47 Q48 L359S26-F38 CarbonylContact C-O 3.6Å; S26-F38 WeakPolarHBondContact CA-O 3.19Å; S26-F38 WeakPolarHBondContact CB-O 3.23Å; L27-F38 HydrophobicContact CB-CB 4.44Å; L27-F38 PolarHBondContact N-O 2.95Å; L27-F38 PolarHBondContact O-N 2.89Å; V29-F38 HydrophobicContact CB-CE2 4.09Å; V29-F38 HydrophobicContact CG2-CD2 4.03Å; V29-F38 HydrophobicContact CG2-CE2 3.85Å; K36-F38 HydrophobicContact CB-CE2 3.81Å; K36-F38 HydrophobicContact CB-CZ 3.96Å; K36-F38 HydrophobicContact CD-CE2 4.41Å; K36-F38 HydrophobicContact CD-CZ 3.87Å; F38-L46 HydrophobicContact CB-CD1 3.64Å; F38-L46 HydrophobicContact CB-CD2 4.17Å; F38-L46 HydrophobicContact CB-CG 3.76Å; F38-L46 HydrophobicContact CD1-CD2 3.84Å; F38-L46 HydrophobicContact CD1-CG 3.71Å; F38-L46 HydrophobicContact CD2-CD2 4.39Å; F38-L46 HydrophobicContact CE1-CD2 4.29Å; F38-L46 HydrophobicContact CG-CD1 4.27Å; F38-L46 HydrophobicContact CG-CD2 3.88Å; F38-L46 HydrophobicContact CG-CG 3.87Å; F38-E47 CarbonylContact C-O 3.58Å; F38-E47 VanDerWaalsContact CA-O 3.32Å; F38-E47 WeakPolarHBondContact CA-O 3.19Å; F38-Q48 HydrophobicContact CD1-CB 4.19Å; F38-Q48 HydrophobicContact CE1-CB 4.15Å; F38-Q48 HydrophobicContact CE1-CG 4.36Å; F38-L359 HydrophobicContact CD2-CD2 4.35Å; F38-L359 HydrophobicContact CE2-CD2 4.26Å
39S96.8Very high94.7Very high21 Ų2141.2 Ų41.215%0.14721%0.214CC..EExtended strand (participates in β ladder)trans-81139.1172.5-173.80000110.3S41 E47S39-S41 PolarHBondContact OG-N 2.97Å; S39-S41 PolarHBondContact OG-OG 3.43Å; S39-E47 PolarHBondContact N-O 2.94Å
40L95.9Very high94.7Very high7 Ų744.1 Ų44.14%0.03723%0.226CC..  trans-107.422.3178-57.5169.8000111.7F20 T25 L27 S42 L46 I323 L330 L338F20-L40 HydrophobicContact CD1-CD1 3.61Å; F20-L40 HydrophobicContact CE1-CD1 3.83Å; T25-L40 PolarHBondContact O-N 3.27Å; L27-L40 HydrophobicContact CB-CD1 4.27Å; L27-L40 HydrophobicContact CB-CD2 4.31Å; L27-L40 HydrophobicContact CB-CG 4.5Å; L40-S42 VanDerWaalsContact C-N 3.31Å; L40-S42 PolarHBondContact O-N 2.58Å; L40-L46 HydrophobicContact CD2-CD1 4.01Å; L40-I323 VanDerWaalsContact O-CD1 3.31Å; L40-I323 WeakPolarHBondContact O-CD1 3.43Å; L40-I323 WeakPolarHBondContact O-CG1 3.38Å; L40-L330 HydrophobicContact CB-CD1 4.41Å; L40-L330 HydrophobicContact CD1-CD1 3.83Å; L40-L330 HydrophobicContact CD2-CD1 4.43Å; L40-L330 HydrophobicContact CG-CD1 4.45Å; L40-L338 HydrophobicContact CD2-CD2 3.63Å
41S92.8Very high94.6Very high71 Ų7147.8 Ų47.850%0.49724%0.243SC..SBendtrans-72.2-20.7-179.251.90000114.1S39S39-S41 PolarHBondContact OG-N 2.97Å; S39-S41 PolarHBondContact OG-OG 3.43Å
42S93.1Very high94.6Very high27 Ų2747.9 Ų47.919%0.18924%0.243CC..  trans-131.8153.5-177.4-174.70000110.8L40 D44L40-S42 VanDerWaalsContact C-N 3.31Å; L40-S42 PolarHBondContact O-N 2.58Å; S42-D44 PolarHBondContact OG-N 3.08Å
43V92.3Very high94.6Very high5 Ų547.1 Ų47.13%0.0325%0.247CC..SBendtrans-94.5-30.8174.7169.90000112.2I323 L340 M354 K355 H357V43-I323 HydrophobicContact CG2-CB 4.38Å; V43-I323 HydrophobicContact CG2-CD1 4.18Å; V43-I323 HydrophobicContact CG2-CG2 3.79Å; V43-L340 HydrophobicContact CB-CD2 4.11Å; V43-L340 HydrophobicContact CG1-CB 4.49Å; V43-L340 HydrophobicContact CG1-CD2 4.07Å; V43-L340 HydrophobicContact CG2-CD2 3.6Å; V43-M354 HydrophobicContact CG1-CB 4.17Å; V43-M354 HydrophobicContact CG1-CE 4.46Å; V43-M354 HydrophobicContact CG1-SD 4.43Å; V43-K355 HydrophobicContact CG1-CB 4.01Å; V43-K355 WeakPolarHBondContact O-CG 3.4Å; V43-H357 PolarHBondContact O-CE1 3.01Å; V43-H357 PolarHBondContact O-NE2 3.25Å
44D92.5Very high94.5Very high113 Ų11351.7 Ų51.760%0.60427%0.268SS*.SBendtrans-77.7-29.5-175.4-58.7-47.4000113S42 H357S42-D44 PolarHBondContact OG-N 3.08Å; D44-H357 PolarHBondContact O-CE1 3.11Å
45K91.3Very high94.3Very high147 Ų14753.1 Ų53.164%0.63928%0.276SS*.  trans-134.1129.5-176.5-65.1-175.4-178.9-179.20110.6E47K45-E47 PolarHBondContact O-N 2.94Å
46L94.3Very high94.1Very high31 Ų3157.6 Ų57.616%0.16230%0.297CS..  trans-90.793170.6-170.665.5000109.4F38 L40 Q48 L338 H357 L359F38-L46 HydrophobicContact CB-CD1 3.64Å; F38-L46 HydrophobicContact CB-CD2 4.17Å; F38-L46 HydrophobicContact CB-CG 3.76Å; F38-L46 HydrophobicContact CD1-CD2 3.84Å; F38-L46 HydrophobicContact CD1-CG 3.71Å; F38-L46 HydrophobicContact CD2-CD2 4.39Å; F38-L46 HydrophobicContact CE1-CD2 4.29Å; F38-L46 HydrophobicContact CG-CD1 4.27Å; F38-L46 HydrophobicContact CG-CD2 3.88Å; F38-L46 HydrophobicContact CG-CG 3.87Å; L40-L46 HydrophobicContact CD2-CD1 4.01Å; L46-Q48 PolarHBondContact O-N 3.45Å; L46-L338 HydrophobicContact CD1-CD2 3.76Å; L46-L338 HydrophobicContact CD2-CD2 4.35Å; L46-H357 HydrophobicContact CB-CB 4.03Å; L46-H357 HydrophobicContact CD2-CB 3.73Å; L46-H357 HydrophobicContact CG-CB 4.43Å; L46-L359 HydrophobicContact CD2-CD2 3.85Å
47E93.8Very high94.1Very high109 Ų10958.7 Ų58.751%0.50930%0.304SS..EExtended strand (participates in β ladder)trans-74.8122.5-176.4-65.9-179.9170.300111.2F38 S39 K45 I49F38-E47 CarbonylContact C-O 3.58Å; F38-E47 VanDerWaalsContact CA-O 3.32Å; F38-E47 WeakPolarHBondContact CA-O 3.19Å; S39-E47 PolarHBondContact N-O 2.94Å; K45-E47 PolarHBondContact O-N 2.94Å; E47-I49 PolarHBondContact O-N 2.84Å
48Q95.3Very high94Very high85 Ų8558.7 Ų58.740%0.39730%0.304SS..EExtended strand (participates in β ladder)trans-73.9116.6173-175.6172.6-69.300110.1F37 F38 L46 E51F37-Q48 CarbonylContact O-C 3.58Å; F38-Q48 HydrophobicContact CD1-CB 4.19Å; F38-Q48 HydrophobicContact CE1-CB 4.15Å; F38-Q48 HydrophobicContact CE1-CG 4.36Å; L46-Q48 PolarHBondContact O-N 3.45Å; Q48-E51 PolarHBondContact NE2-OE2 2.91Å; Q48-E51 PolarHBondContact OE1-OE2 3.35Å
49I95.8Very high94Very high65 Ų6558.6 Ų58.633%0.33330%0.304SS..EExtended strand (participates in β ladder)trans-76.7-41.2177.6-61.3173.4000110.5F37 E47 R63F37-I49 HydrophobicContact CB-CB 4Å; F37-I49 HydrophobicContact CB-CD1 4.48Å; F37-I49 PolarHBondContact O-N 2.75Å; E47-I49 PolarHBondContact O-N 2.84Å; I49-R63 VanDerWaalsContact CD1-NH1 3.33Å
50Y95.6Very high94.1Very high63 Ų6357.7 Ų57.725%0.24730%0.297CS..EExtended strand (participates in β ladder)trans-165.3152.5-174.8177.8-102.5000110.6Y35 K36 F37 C52 F86Y35-Y50 AromaticContact CE2-CD1 3.96Å; Y35-Y50 HydrophobicContact CE2-CD1 3.96Å; Y35-Y50 AromaticContact CE2-CE1 3.7Å; Y35-Y50 HydrophobicContact CE2-CE1 3.7Å; Y35-Y50 AromaticContact CZ-CE1 3.86Å; K36-Y50 WeakPolarHBondContact CA-O 3.45Å; F37-Y50 HydrophobicContact CD2-CD1 4.02Å; F37-Y50 HydrophobicContact CE2-CD1 4.17Å; F37-Y50 PolarHBondContact N-O 3.42Å; Y50-C52 HydrophobicContact CE1-CB 3.54Å; Y50-F86 HydrophobicContact CD1-CB 4.11Å; Y50-F86 AromaticContact CD1-CD2 3.71Å; Y50-F86 HydrophobicContact CD1-CD2 3.71Å; Y50-F86 HydrophobicContact CD1-CE2 4.32Å; Y50-F86 HydrophobicContact CD1-CG 4.01Å; Y50-F86 AromaticContact CD2-CD2 3.61Å; Y50-F86 HydrophobicContact CD2-CD2 3.61Å; Y50-F86 HydrophobicContact CD2-CE2 4.13Å; Y50-F86 HydrophobicContact CE1-CB 3.68Å; Y50-F86 HydrophobicContact CE1-CD2 4.04Å; Y50-F86 HydrophobicContact CE1-CG 4.09Å; Y50-F86 HydrophobicContact CE2-CB 4.44Å; Y50-F86 AromaticContact CE2-CD2 3.97Å; Y50-F86 HydrophobicContact CE2-CD2 3.97Å; Y50-F86 AromaticContact CG-CD2 3.47Å; Y50-F86 HydrophobicContact CG-CD2 3.47Å; Y50-F86 VanDerWaalsContact CG-CD2 3.47Å; Y50-F86 AromaticContact CG-CE2 3.81Å; Y50-F86 HydrophobicContact CG-CE2 3.81Å; Y50-F86 HydrophobicContact CG-CG 4.24Å
51E95.1Very high94.2Very high76 Ų7657.3 Ų57.336%0.35530%0.296SS..EExtended strand (participates in β ladder)trans-140.5138.1173.3169.2169.2-158.800108.9Y35 K36 Q48 T53Y35-E51 WeakPolarHBondContact O-CA 3.5Å; K36-E51 VanDerWaalsContact CE-CD 3.48Å; K36-E51 WeakPolarHBondContact CE-OE1 3.33Å; K36-E51 HydrophobicContact CG-CB 4.2Å; K36-E51 HydrophobicContact CG-CG 4.11Å; K36-E51 IonicContact NZ-OE1 3.86Å; K36-E51 PolarHBondContact NZ-OE1 2.73Å; K36-E51 IonicContact NZ-OE2 3.73Å; K36-E51 PolarHBondContact NZ-OE2 2.92Å; Q48-E51 PolarHBondContact NE2-OE2 2.91Å; Q48-E51 PolarHBondContact OE1-OE2 3.35Å; E51-T53 HydrophobicContact CG-CG2 4.29Å
52C94.3Very high94.4Very high8 Ų854.3 Ų54.35%0.05427%0.274CS..EExtended strand (participates in β ladder)trans-129.3122.6173.91690000109.1G34 Y35 Y50G34-C52 CarbonylContact C-O 3.58Å; G34-C52 WeakPolarHBondContact CA-O 3.16Å; Y35-C52 HydrophobicContact CD1-CB 3.84Å; Y35-C52 HydrophobicContact CD2-CB 4.49Å; Y35-C52 HydrophobicContact CE1-CB 3.31Å; Y35-C52 WeakPolarHBondContact CE1-SG 3.27Å; Y35-C52 HydrophobicContact CE2-CB 4.03Å; Y35-C52 HydrophobicContact CG-CB 4.42Å; Y35-C52 VanDerWaalsContact CZ-CB 3.41Å; Y35-C52 PolarHBondContact N-O 3.02Å; Y35-C52 PolarHBondContact O-N 3.46Å; Y50-C52 HydrophobicContact CE1-CB 3.54Å
53T93.4Very high94.6Very high81 Ų8153.7 Ų53.750%0.49727%0.267SS..  trans-104.2-6.1176.6520000112.9S33 E51 T55S33-T53 WeakPolarHBondContact O-CA 3.46Å; E51-T53 HydrophobicContact CG-CG2 4.29Å; T53-T55 PolarHBondContact O-N 3.25Å
54D90.6Very high94.9Very high144 Ų14454.2 Ų54.277%0.7727%0.27SS*.SBendtrans-74.8-16.3-177.1-57.2-24.3000113
55T90.3Very high95.1Very high33 Ų3349.5 Ų49.520%0.20224%0.244CC..SBendtrans-120.6104.4178.3-54.40000108.7G34 T53 V58 I72G34-T55 VanDerWaalsContact CA-O 3.26Å; G34-T55 WeakPolarHBondContact CA-O 3.22Å; T53-T55 PolarHBondContact O-N 3.25Å; T55-V58 HydrophobicContact CG2-CG2 3.97Å; T55-V58 VanDerWaalsContact O-CG2 3.23Å; T55-V58 WeakPolarHBondContact O-CG2 3.43Å; T55-I72 HydrophobicContact CG2-CG2 4.3Å
56E92.9Very high95.3Very high100 Ų10045.9 Ų45.947%0.46724%0.237SC..  trans-82.3166.9179-65175.217200112.3K32 V58 K76K32-E56 WeakPolarHBondContact O-CA 3.28Å; K32-E56 WeakPolarHBondContact O-CB 3.43Å; E56-V58 PolarHBondContact O-N 2.88Å; E56-K76 IonicContact OE2-NZ 3.06Å; E56-K76 PolarHBondContact OE2-NZ 2.92Å
57D94.8Very high95.4Very high38 Ų3846.4 Ų46.420%0.20324%0.243CC..SBendtrans51.747.6174.9-60.2-49000114.3L16 K32 C59 S74 L75 K76L16-D57 HydrophobicContact CD1-CB 4.37Å; K32-D57 PolarHBondContact O-N 3.22Å; D57-C59 PolarHBondContact O-N 2.85Å; D57-S74 CarbonylContact O-C 3.58Å; D57-S74 WeakPolarHBondContact O-CA 3.27Å; D57-L75 HydrophobicContact CB-CB 3.95Å; D57-L75 HydrophobicContact CB-CD1 4.27Å; D57-L75 HydrophobicContact CB-CG 4.25Å; D57-L75 PolarHBondContact O-N 2.87Å; D57-K76 WeakPolarHBondContact OD2-CE 3.28Å; D57-K76 IonicContact OD2-NZ 2.76Å
58V96.5Very high95.6Very high0 Ų042 Ų420%022%0.224CC..EExtended strand (participates in β ladder)trans-78.8104.2-175.8-179.30000110.5L16 G30 T31 Y35 T55 E56 V61 I72L16-V58 WeakPolarHBondContact CB-O 2.99Å; G30-V58 CarbonylContact C-O 3.5Å; G30-V58 WeakPolarHBondContact CA-O 3.42Å; T31-V58 PolarHBondContact O-N 2.84Å; Y35-V58 HydrophobicContact CD1-CG2 4.12Å; T55-V58 HydrophobicContact CG2-CG2 3.97Å; T55-V58 VanDerWaalsContact O-CG2 3.23Å; T55-V58 WeakPolarHBondContact O-CG2 3.43Å; E56-V58 PolarHBondContact O-N 2.88Å; V58-V61 HydrophobicContact CG1-CB 3.78Å; V58-V61 HydrophobicContact CG1-CG1 4.07Å; V58-I72 HydrophobicContact CG1-CG2 3.95Å; V58-I72 HydrophobicContact CG2-CG2 4.32Å
59C96.6Very high95.7Very high6 Ų639.2 Ų39.24%0.04121%0.212CC..EExtended strand (participates in β ladder)trans-94.9-15.6-178.963.40000114.4N2 A4 F17 D57 V73 L75N2-C59 PolarHBondContact OD1-O 2.7Å; A4-C59 HydrophobicContact CB-CB 4.06Å; F17-C59 WeakPolarHBondContact CB-O 3.46Å; F17-C59 WeakPolarHBondContact CD2-O 3.42Å; D57-C59 PolarHBondContact O-N 2.85Å; C59-V73 PolarHBondContact N-O 3.24Å; C59-V73 PolarHBondContact SG-O 2.83Å; C59-V73 VanDerWaalsContact SG-O 3.4Å; C59-L75 HydrophobicContact CB-CD2 3.45Å; C59-L75 VanDerWaalsContact CB-CD2 3.45Å; C59-L75 HydrophobicContact CB-CG 3.82Å
60I98.2Very high95.8Very high2 Ų236.1 Ų36.11%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-140127.4168.8-54.7175.8000108F17 E62 I72 V73 I101 V104F17-I60 HydrophobicContact CD2-CB 4.49Å; F17-I60 HydrophobicContact CD2-CG1 4.47Å; F17-I60 HydrophobicContact CE2-CB 4.36Å; F17-I60 HydrophobicContact CE2-CG1 4.42Å; F17-I60 HydrophobicContact CE2-CG2 4.08Å; F17-I60 HydrophobicContact CZ-CG2 4.23Å; I60-E62 HydrophobicContact CG2-CG 4.11Å; I60-I72 WeakPolarHBondContact O-CA 3.33Å; I60-V73 HydrophobicContact CB-CB 3.93Å; I60-V73 HydrophobicContact CB-CG2 4.12Å; I60-V73 HydrophobicContact CD1-CB 4.26Å; I60-V73 HydrophobicContact CD1-CG2 4.21Å; I60-V73 HydrophobicContact CG1-CB 4.28Å; I60-V73 PolarHBondContact N-O 3.23Å; I60-V73 VanDerWaalsContact N-O 3.14Å; I60-V73 PolarHBondContact O-N 3.45Å; I60-I101 HydrophobicContact CD1-CG2 4.05Å; I60-V104 HydrophobicContact CG2-CB 4.26Å; I60-V104 HydrophobicContact CG2-CG2 4.2Å
61V98.1Very high95.9Very high0 Ų033.1 Ų33.10%018%0.184CC..EExtended strand (participates in β ladder)trans-140.7108.917252.60000109.7F17 A28 Y35 F37 V58 V70 A71F17-V61 HydrophobicContact CD1-CG1 3.61Å; F17-V61 HydrophobicContact CE1-CG1 4.19Å; F17-V61 WeakPolarHBondContact CE1-O 3.39Å; F17-V61 HydrophobicContact CG-CG1 4.43Å; A28-V61 HydrophobicContact CB-CG1 4.28Å; A28-V61 WeakPolarHBondContact CB-O 3.25Å; Y35-V61 HydrophobicContact CD2-CG2 3.82Å; Y35-V61 HydrophobicContact CG-CG2 4.03Å; F37-V61 HydrophobicContact CE1-CG2 3.83Å; F37-V61 HydrophobicContact CZ-CG2 3.73Å; V58-V61 HydrophobicContact CG1-CB 3.78Å; V58-V61 HydrophobicContact CG1-CG1 4.07Å; V61-V70 HydrophobicContact CG2-CG1 3.75Å; V61-A71 WeakPolarHBondContact CA-O 3.49Å
62E98.1Very high96.1Very high8 Ų829.7 Ų29.74%0.03717%0.169CC..EExtended strand (participates in β ladder)trans-119.6123.6-177.2-68.9-85.4-159.200109.5F17 N19 I60 V70 A71 V104 K105 L106F17-E62 HydrophobicContact CZ-CG 4.19Å; N19-E62 VanDerWaalsContact ND2-CD 3.34Å; N19-E62 PolarHBondContact ND2-OE1 3.07Å; N19-E62 PolarHBondContact ND2-OE2 3.06Å; I60-E62 HydrophobicContact CG2-CG 4.11Å; E62-V70 WeakPolarHBondContact O-CA 3.49Å; E62-A71 PolarHBondContact N-O 3.28Å; E62-A71 PolarHBondContact O-N 2.93Å; E62-V104 HydrophobicContact CG-CB 4.47Å; E62-V104 WeakPolarHBondContact CG-O 3.18Å; E62-K105 IonicContact OE1-NZ 2.7Å; E62-K105 PolarHBondContact OE1-NZ 3.45Å; E62-L106 HydrophobicContact CB-CD1 3.44Å; E62-L106 VanDerWaalsContact CB-CD1 3.44Å; E62-L106 HydrophobicContact CG-CD1 4.46Å
63R96.9Very high96.3Very high13 Ų1329.3 Ų29.35%0.04917%0.166CC..EExtended strand (participates in β ladder)trans-95.7139.4177.7-173.8-178.4175.6-163.71.9109.7Q22 S26 F37 I49 F65 S66 S67 V70Q22-R63 PolarHBondContact NE2-O 3.16Å; Q22-R63 PolarHBondContact OE1-O 2.9Å; S26-R63 PolarHBondContact OG-NH1 3.37Å; S26-R63 VanDerWaalsContact OG-NH1 3.08Å; F37-R63 HydrophobicContact CD1-CB 4.34Å; F37-R63 HydrophobicContact CE1-CB 3.81Å; F37-R63 HydrophobicContact CE1-CG 4.45Å; F37-R63 HydrophobicContact CZ-CB 4.24Å; I49-R63 VanDerWaalsContact CD1-NH1 3.33Å; R63-F65 WeakPolarHBondContact CD-O 3.44Å; R63-F65 WeakPolarHBondContact CG-O 3.36Å; R63-F65 PolarHBondContact NE-O 3.11Å; R63-F65 PolarHBondContact O-N 2.79Å; R63-S66 PolarHBondContact NH2-O 2.84Å; R63-S67 PolarHBondContact NE-O 2.65Å; R63-S67 PolarHBondContact NH2-O 3.08Å; R63-V70 HydrophobicContact CB-CG2 4.37Å; R63-V70 HydrophobicContact CG-CG2 4.23Å
64L98Very high96.4Very high17 Ų1726.4 Ų26.49%0.08915%0.149CC..  trans-81.5101172.1177.866.7000110.3S66 S67 L69 L106 N107 I124L64-S66 PolarHBondContact O-N 3.02Å; L64-S67 WeakPolarHBondContact O-CB 3.41Å; L64-S67 PolarHBondContact O-N 3.01Å; L64-S67 PolarHBondContact O-OG 3.24Å; L64-L69 HydrophobicContact CB-CB 4.27Å; L64-L69 HydrophobicContact CB-CD2 4.05Å; L64-L69 HydrophobicContact CD2-CB 4.49Å; L64-L69 HydrophobicContact CD2-CD1 4.49Å; L64-L69 HydrophobicContact CD2-CD2 4.34Å; L64-L69 PolarHBondContact N-O 2.93Å; L64-L106 HydrophobicContact CD1-CB 3.95Å; L64-N107 VanDerWaalsContact CD1-O 3.22Å; L64-N107 WeakPolarHBondContact CD1-O 3.37Å; L64-I124 HydrophobicContact CD2-CD1 4.32Å; L64-I124 HydrophobicContact CD2-CG1 3.96Å
65F97.7Very high96.6Very high14 Ų1422.8 Ų22.86%0.06113%0.13CC..THydrogen-bonded Turntrans47-128.3-176.2-64.3-94.2000111.1N21 Q22 D23 R63 R108 I148N21-F65 VanDerWaalsContact ND2-C 3.28Å; N21-F65 PolarHBondContact ND2-O 2.96Å; Q22-F65 HydrophobicContact CB-CD1 3.73Å; Q22-F65 HydrophobicContact CB-CD2 4.42Å; Q22-F65 HydrophobicContact CB-CE1 3.47Å; Q22-F65 VanDerWaalsContact CB-CE1 3.47Å; Q22-F65 HydrophobicContact CB-CE2 4.18Å; Q22-F65 HydrophobicContact CB-CG 4.2Å; Q22-F65 HydrophobicContact CB-CZ 3.72Å; Q22-F65 HydrophobicContact CG-CD2 4.46Å; Q22-F65 HydrophobicContact CG-CE1 4.33Å; Q22-F65 HydrophobicContact CG-CE2 4.16Å; Q22-F65 HydrophobicContact CG-CZ 4.1Å; D23-F65 HydrophobicContact CB-CD1 4.09Å; D23-F65 HydrophobicContact CB-CE1 4.49Å; R63-F65 WeakPolarHBondContact CD-O 3.44Å; R63-F65 WeakPolarHBondContact CG-O 3.36Å; R63-F65 PolarHBondContact NE-O 3.11Å; R63-F65 PolarHBondContact O-N 2.79Å; F65-R108 HydrophobicContact CD2-CG 4.02Å; F65-R108 HydrophobicContact CE2-CG 3.49Å; F65-R108 VanDerWaalsContact CE2-CG 3.49Å; F65-R108 HydrophobicContact CZ-CG 4.15Å; F65-I148 HydrophobicContact CZ-CB 4.13Å
66S95.8Very high96.9Very high70 Ų7027.7 Ų27.749%0.4915%0.148SC..THydrogen-bonded Turntrans-95.412.6173.5-76.70000113.5T25 R63 L64T25-S66 PolarHBondContact OG1-OG 2.84Å; R63-S66 PolarHBondContact NH2-O 2.84Å; L64-S66 PolarHBondContact O-N 3.02Å
67S96.7Very high97Very high42 Ų4224.4 Ų24.429%0.29414%0.138SC..SBendtrans-73.3176.3178.182.10000112.3R63 L64 L69R63-S67 PolarHBondContact NE-O 2.65Å; R63-S67 PolarHBondContact NH2-O 3.08Å; L64-S67 WeakPolarHBondContact O-CB 3.41Å; L64-S67 PolarHBondContact O-N 3.01Å; L64-S67 PolarHBondContact O-OG 3.24Å; S67-L69 VanDerWaalsContact C-N 3.34Å; S67-L69 PolarHBondContact OG-N 3.12Å; S67-L69 VanDerWaalsContact OG-N 3.16Å
68S96.7Very high97.1Very high16 Ų1624.8 Ų24.811%0.11214%0.142CC..SBendtrans-89.92.2172.7-66.60000114.3H85 F86 K87S68-H85 WeakPolarHBondContact CB-CE1 3.27Å; S68-H85 WeakPolarHBondContact CB-ND1 3.3Å; S68-H85 CarbonylContact O-C 3.56Å; S68-H85 WeakPolarHBondContact O-CA 3.48Å; S68-F86 VanDerWaalsContact CA-CE1 3.41Å; S68-F86 WeakPolarHBondContact O-CD1 3.49Å; S68-F86 PolarHBondContact O-N 2.79Å; S68-K87 VanDerWaalsContact OG-CD 3.23Å; S68-K87 WeakPolarHBondContact OG-CD 3.32Å; S68-K87 VanDerWaalsContact OG-CG 3.25Å; S68-K87 WeakPolarHBondContact OG-CG 3.19Å
69L97.8Very high97.2Very high27 Ų2731.2 Ų31.214%0.14117%0.167CC..EExtended strand (participates in β ladder)trans-84.7126.6-179.3-169.2149.7000110.2L64 S67 V83 C84 I92 L106 I124 M127L64-L69 HydrophobicContact CB-CB 4.27Å; L64-L69 HydrophobicContact CB-CD2 4.05Å; L64-L69 HydrophobicContact CD2-CB 4.49Å; L64-L69 HydrophobicContact CD2-CD1 4.49Å; L64-L69 HydrophobicContact CD2-CD2 4.34Å; L64-L69 PolarHBondContact N-O 2.93Å; S67-L69 VanDerWaalsContact C-N 3.34Å; S67-L69 PolarHBondContact OG-N 3.12Å; S67-L69 VanDerWaalsContact OG-N 3.16Å; L69-V83 HydrophobicContact CD2-CG1 3.88Å; L69-V83 HydrophobicContact CG-CG1 4.06Å; L69-C84 WeakPolarHBondContact CA-O 3.41Å; L69-I92 HydrophobicContact CD1-CD1 4.27Å; L69-I92 HydrophobicContact CG-CD1 4.44Å; L69-L106 HydrophobicContact CD2-CD2 3.87Å; L69-I124 HydrophobicContact CD2-CD1 4.19Å; L69-M127 HydrophobicContact CD1-CE 3.56Å; L69-M127 HydrophobicContact CD2-CE 4.32Å; L69-M127 HydrophobicContact CG-CE 4.38Å
70V97.7Very high97.3Very high0 Ų035.8 Ų35.80%019%0.186CC..EExtended strand (participates in β ladder)trans-135.5135.8-175.7176.10000109.8F37 V61 E62 R63 I72 V83 C84 F86F37-V70 HydrophobicContact CE1-CG2 4.41Å; F37-V70 HydrophobicContact CE2-CG1 4.46Å; F37-V70 HydrophobicContact CE2-CG2 3.58Å; F37-V70 HydrophobicContact CZ-CB 4.23Å; F37-V70 HydrophobicContact CZ-CG1 3.72Å; F37-V70 HydrophobicContact CZ-CG2 3.36Å; V61-V70 HydrophobicContact CG2-CG1 3.75Å; E62-V70 WeakPolarHBondContact O-CA 3.49Å; R63-V70 HydrophobicContact CB-CG2 4.37Å; R63-V70 HydrophobicContact CG-CG2 4.23Å; V70-I72 HydrophobicContact CG1-CD1 4.1Å; V70-I72 HydrophobicContact CG1-CG1 3.63Å; V70-V83 CarbonylContact O-C 3.6Å; V70-V83 VanDerWaalsContact O-CA 3.28Å; V70-V83 WeakPolarHBondContact O-CA 3.41Å; V70-C84 PolarHBondContact N-O 3.17Å; V70-C84 PolarHBondContact O-N 2.75Å; V70-F86 HydrophobicContact CG2-CD1 3.47Å; V70-F86 VanDerWaalsContact CG2-CD1 3.47Å; V70-F86 HydrophobicContact CG2-CE1 3.95Å
71A98.3Very high97.3Very high0 Ų035.7 Ų35.70%019%0.185CC..EExtended strand (participates in β ladder)trans-101.7130.7170.200000109.9V61 E62 L81 K82 V104 L106V61-A71 WeakPolarHBondContact CA-O 3.49Å; E62-A71 PolarHBondContact N-O 3.28Å; E62-A71 PolarHBondContact O-N 2.93Å; A71-L81 HydrophobicContact CB-CD1 3.95Å; A71-K82 CarbonylContact C-O 3.54Å; A71-V104 HydrophobicContact CB-CG1 3.86Å; A71-L106 HydrophobicContact CB-CD1 4.21Å; A71-L106 HydrophobicContact CB-CD2 4.29Å
72I98.4Very high97.3Very high4 Ų438.9 Ų38.92%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-131.4135.5-171.7-51175.4000109.5Y35 T55 V58 I60 V70 K82Y35-I72 HydrophobicContact CD1-CD1 4.29Å; Y35-I72 HydrophobicContact CE1-CD1 3.55Å; T55-I72 HydrophobicContact CG2-CG2 4.3Å; V58-I72 HydrophobicContact CG1-CG2 3.95Å; V58-I72 HydrophobicContact CG2-CG2 4.32Å; I60-I72 WeakPolarHBondContact O-CA 3.33Å; V70-I72 HydrophobicContact CG1-CD1 4.1Å; V70-I72 HydrophobicContact CG1-CG1 3.63Å; I72-K82 HydrophobicContact CB-CB 4.48Å; I72-K82 PolarHBondContact N-O 3.39Å; I72-K82 PolarHBondContact O-N 3.38Å
73V98.4Very high97.3Very high1 Ų138.5 Ų38.51%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-130.6136.3166.8-172.80000108.1C59 I60 L81 I101 V104C59-V73 PolarHBondContact N-O 3.24Å; C59-V73 PolarHBondContact SG-O 2.83Å; C59-V73 VanDerWaalsContact SG-O 3.4Å; I60-V73 HydrophobicContact CB-CB 3.93Å; I60-V73 HydrophobicContact CB-CG2 4.12Å; I60-V73 HydrophobicContact CD1-CB 4.26Å; I60-V73 HydrophobicContact CD1-CG2 4.21Å; I60-V73 HydrophobicContact CG1-CB 4.28Å; I60-V73 PolarHBondContact N-O 3.23Å; I60-V73 VanDerWaalsContact N-O 3.14Å; I60-V73 PolarHBondContact O-N 3.45Å; V73-L81 HydrophobicContact CG2-CD1 4.13Å; V73-I101 HydrophobicContact CG1-CB 4.35Å; V73-I101 HydrophobicContact CG1-CD1 4.26Å; V73-I101 HydrophobicContact CG2-CB 4.23Å; V73-I101 HydrophobicContact CG2-CD1 3.76Å; V73-I101 HydrophobicContact CG2-CG2 4.04Å; V73-V104 HydrophobicContact CG2-CG2 4.26Å
74S96.8Very high97.2Very high20 Ų2038.3 Ų38.314%0.1420%0.198CC..EExtended strand (participates in β ladder)trans-112.3155.5178.170.90000112.1D57 K76 A77 P78D57-S74 CarbonylContact O-C 3.58Å; D57-S74 WeakPolarHBondContact O-CA 3.27Å; S74-K76 PolarHBondContact O-N 2.91Å; S74-A77 CarbonylContact O-C 3.54Å; S74-A77 PolarHBondContact O-N 3.09Å; S74-A77 VanDerWaalsContact O-N 3.14Å; S74-A77 PolarHBondContact OG-N 3.01Å; S74-P78 WeakPolarHBondContact O-CA 3.49Å
75L95.1Very high97.1Very high68 Ų6839.8 Ų39.836%0.35620%0.204SC..THydrogen-bonded Turntrans-64.7-27.4174.5-61176000112.6A4 L16 D57 C59 A77 P78A4-L75 HydrophobicContact CB-CD2 3.57Å; L16-L75 HydrophobicContact CD1-CD1 3.76Å; L16-L75 HydrophobicContact CD1-CG 4.42Å; L16-L75 HydrophobicContact CD2-CD1 4.2Å; D57-L75 HydrophobicContact CB-CB 3.95Å; D57-L75 HydrophobicContact CB-CD1 4.27Å; D57-L75 HydrophobicContact CB-CG 4.25Å; D57-L75 PolarHBondContact O-N 2.87Å; C59-L75 HydrophobicContact CB-CD2 3.45Å; C59-L75 VanDerWaalsContact CB-CD2 3.45Å; C59-L75 HydrophobicContact CB-CG 3.82Å; L75-A77 VanDerWaalsContact C-N 3.28Å; L75-A77 PolarHBondContact O-N 3.43Å; L75-P78 WeakPolarHBondContact O-CD 3.11Å
76K94.9Very high97Very high135 Ų13539.5 Ų39.559%0.58720%0.203SC*.THydrogen-bonded Turntrans-69.2-26.9175.3-60.9-174.8-171177.80112.2E56 D57 S74E56-K76 IonicContact OE2-NZ 3.06Å; E56-K76 PolarHBondContact OE2-NZ 2.92Å; D57-K76 WeakPolarHBondContact OD2-CE 3.28Å; D57-K76 IonicContact OD2-NZ 2.76Å; S74-K76 PolarHBondContact O-N 2.91Å
77A96.4Very high96.8Very high31 Ų3143.5 Ų43.526%0.25621%0.212SC..EExtended strand (participates in β ladder)trans-140.167.9-179.500000111.1S74 L75 R79 K80S74-A77 CarbonylContact O-C 3.54Å; S74-A77 PolarHBondContact O-N 3.09Å; S74-A77 VanDerWaalsContact O-N 3.14Å; S74-A77 PolarHBondContact OG-N 3.01Å; L75-A77 VanDerWaalsContact C-N 3.28Å; L75-A77 PolarHBondContact O-N 3.43Å; A77-R79 PolarHBondContact O-N 2.98Å; A77-K80 HydrophobicContact CB-CB 4.01Å; A77-K80 HydrophobicContact CB-CD 4.13Å; A77-K80 HydrophobicContact CB-CG 4.13Å; A77-K80 PolarHBondContact O-N 3.36Å
78P96.8Very high96.7Very high46 Ų4648.8 Ų48.830%0.29923%0.229SC..EExtended strand (participates in β ladder)trans-68.7-12-168.528.7-36.1000113.9S74 L75 T100 I101S74-P78 WeakPolarHBondContact O-CA 3.49Å; L75-P78 WeakPolarHBondContact O-CD 3.11Å; P78-T100 HydrophobicContact CB-CG2 4Å; P78-I101 PolarHBondContact O-N 3.01Å
79R98.1Very high96.4Very high135 Ų13551.3 Ų51.351%0.50926%0.258SS..EExtended strand (participates in β ladder)trans-99.50.4176.7-52.7-167.3-72.4174.5-4.3113.4A77 Y97 S98 N99A77-R79 PolarHBondContact O-N 2.98Å; R79-Y97 PolarHBondContact O-N 3.06Å; R79-S98 WeakPolarHBondContact CD-O 3.25Å; R79-S98 PolarHBondContact NH1-O 2.77Å; R79-N99 WeakPolarHBondContact CG-O 3.42Å
80K98.1Very high96.2Very high103 Ų10353.2 Ų53.245%0.44827%0.271SS..EExtended strand (participates in β ladder)trans-107.8123.3-177.7-67.2-166.2176.5-177.70110.8A77 Y95A77-K80 HydrophobicContact CB-CB 4.01Å; A77-K80 HydrophobicContact CB-CD 4.13Å; A77-K80 HydrophobicContact CB-CG 4.13Å; A77-K80 PolarHBondContact O-N 3.36Å; K80-Y95 CarbonylContact C-O 3.59Å; K80-Y95 VanDerWaalsContact CA-O 3.28Å; K80-Y95 WeakPolarHBondContact CA-O 3.03Å
81L98.4Very high96.1Very high0 Ų057.7 Ų57.70%029%0.291CS..EExtended strand (participates in β ladder)trans-96.1116.8168.5177.969.5000109.1A71 V73 V83 N94 Y95 Y97 I101 V104 L111 V113A71-L81 HydrophobicContact CB-CD1 3.95Å; V73-L81 HydrophobicContact CG2-CD1 4.13Å; L81-V83 HydrophobicContact CD2-CG2 4.05Å; L81-V83 HydrophobicContact CG-CG2 4.05Å; L81-N94 CarbonylContact O-C 3.59Å; L81-N94 WeakPolarHBondContact O-CA 3.23Å; L81-Y95 PolarHBondContact N-O 2.79Å; L81-Y95 PolarHBondContact O-N 2.95Å; L81-Y97 HydrophobicContact CB-CE2 3.67Å; L81-Y97 HydrophobicContact CD2-CE2 4.44Å; L81-I101 HydrophobicContact CB-CD1 3.87Å; L81-V104 HydrophobicContact CD1-CG1 4.38Å; L81-V104 HydrophobicContact CD1-CG2 3.95Å; L81-L111 HydrophobicContact CD2-CD1 4.18Å; L81-L111 HydrophobicContact CD2-CD2 3.8Å; L81-V113 HydrophobicContact CD2-CG2 3.78Å
82K97.8Very high96Very high66 Ų6661.4 Ų61.429%0.28731%0.311SS..EExtended strand (participates in β ladder)trans-99.7126.1168.1177.2166.3170.1154.90109.4A71 I72 E91A71-K82 CarbonylContact C-O 3.54Å; I72-K82 HydrophobicContact CB-CB 4.48Å; I72-K82 PolarHBondContact N-O 3.39Å; I72-K82 PolarHBondContact O-N 3.38Å; K82-E91 HydrophobicContact CD-CG 4.47Å; K82-E91 WeakPolarHBondContact CD-OE2 3.38Å; K82-E91 WeakPolarHBondContact CE-OE2 3.31Å; K82-E91 HydrophobicContact CG-CG 4.23Å; K82-E91 IonicContact NZ-OE2 3.07Å; K82-E91 PolarHBondContact NZ-OE2 2.92Å
83V97.8Very high95.9Very high0 Ų062.1 Ų62.10%032%0.316CS..EExtended strand (participates in β ladder)trans-111.7129.1170.6-173.80000108.4L69 V70 L81 I92 C93 L111 M127L69-V83 HydrophobicContact CD2-CG1 3.88Å; L69-V83 HydrophobicContact CG-CG1 4.06Å; V70-V83 CarbonylContact O-C 3.6Å; V70-V83 VanDerWaalsContact O-CA 3.28Å; V70-V83 WeakPolarHBondContact O-CA 3.41Å; L81-V83 HydrophobicContact CD2-CG2 4.05Å; L81-V83 HydrophobicContact CG-CG2 4.05Å; V83-I92 HydrophobicContact CG1-CB 4.5Å; V83-I92 HydrophobicContact CG1-CD1 4.4Å; V83-I92 WeakPolarHBondContact O-CA 3.43Å; V83-I92 WeakPolarHBondContact O-CB 3.27Å; V83-I92 PolarHBondContact O-N 2.82Å; V83-C93 WeakPolarHBondContact CB-SG 3.38Å; V83-C93 WeakPolarHBondContact CG2-SG 3.34Å; V83-C93 PolarHBondContact N-O 2.87Å; V83-C93 PolarHBondContact O-N 2.87Å; V83-L111 HydrophobicContact CG2-CD1 3.95Å; V83-M127 HydrophobicContact CG1-CE 4.01Å; V83-M127 HydrophobicContact CG1-SD 4.39Å
84C96.1Very high95.8Very high9 Ų965.8 Ų65.86%0.06134%0.335CS..EExtended strand (participates in β ladder)trans-137.2163.2-177.267.60000112.3L69 V70 T90L69-C84 WeakPolarHBondContact CA-O 3.41Å; V70-C84 PolarHBondContact N-O 3.17Å; V70-C84 PolarHBondContact O-N 2.75Å; C84-T90 WeakPolarHBondContact CA-O 3.47Å; C84-T90 WeakPolarHBondContact CB-O 3.36Å
85H96.6Very high95.8Very high48 Ų4868.1 Ų68.122%0.22234%0.341CS..EExtended strand (participates in β ladder)trans-104.392.4168.5-172.6-60.2000109.2S68 K87 K88 G89 T90 I92S68-H85 WeakPolarHBondContact CB-CE1 3.27Å; S68-H85 WeakPolarHBondContact CB-ND1 3.3Å; S68-H85 CarbonylContact O-C 3.56Å; S68-H85 WeakPolarHBondContact O-CA 3.48Å; H85-K87 VanDerWaalsContact C-N 3.31Å; H85-K87 PolarHBondContact O-N 3.24Å; H85-K87 VanDerWaalsContact O-N 3.15Å; H85-K88 HydrophobicContact CB-CB 4.35Å; H85-K88 WeakPolarHBondContact ND1-CG 3.44Å; H85-K88 PolarHBondContact ND1-N 2.86Å; H85-K88 PolarHBondContact O-N 3.1Å; H85-G89 PolarHBondContact O-N 2.89Å; H85-T90 PolarHBondContact N-O 2.93Å; H85-I92 HydrophobicContact CB-CD1 4.21Å
86F94Very high96Very high8 Ų868.8 Ų68.84%0.03535%0.352CS..G310 helixtrans-59.7-35.5-166.670.1-101.6000114.3F37 Y50 S68 V70 K88 G89F37-F86 HydrophobicContact CD2-CD1 4.48Å; F37-F86 HydrophobicContact CD2-CE1 4.15Å; F37-F86 HydrophobicContact CD2-CZ 4.34Å; F37-F86 AromaticContact CE2-CD1 3.96Å; F37-F86 HydrophobicContact CE2-CD1 3.96Å; F37-F86 AromaticContact CE2-CE1 3.98Å; F37-F86 HydrophobicContact CE2-CE1 3.98Å; F37-F86 HydrophobicContact CE2-CG 4.48Å; Y50-F86 HydrophobicContact CD1-CB 4.11Å; Y50-F86 AromaticContact CD1-CD2 3.71Å; Y50-F86 HydrophobicContact CD1-CD2 3.71Å; Y50-F86 HydrophobicContact CD1-CE2 4.32Å; Y50-F86 HydrophobicContact CD1-CG 4.01Å; Y50-F86 AromaticContact CD2-CD2 3.61Å; Y50-F86 HydrophobicContact CD2-CD2 3.61Å; Y50-F86 HydrophobicContact CD2-CE2 4.13Å; Y50-F86 HydrophobicContact CE1-CB 3.68Å; Y50-F86 HydrophobicContact CE1-CD2 4.04Å; Y50-F86 HydrophobicContact CE1-CG 4.09Å; Y50-F86 HydrophobicContact CE2-CB 4.44Å; Y50-F86 AromaticContact CE2-CD2 3.97Å; Y50-F86 HydrophobicContact CE2-CD2 3.97Å; Y50-F86 AromaticContact CG-CD2 3.47Å; Y50-F86 HydrophobicContact CG-CD2 3.47Å; Y50-F86 VanDerWaalsContact CG-CD2 3.47Å; Y50-F86 AromaticContact CG-CE2 3.81Å; Y50-F86 HydrophobicContact CG-CE2 3.81Å; Y50-F86 HydrophobicContact CG-CG 4.24Å; S68-F86 VanDerWaalsContact CA-CE1 3.41Å; S68-F86 WeakPolarHBondContact O-CD1 3.49Å; S68-F86 PolarHBondContact O-N 2.79Å; V70-F86 HydrophobicContact CG2-CD1 3.47Å; V70-F86 VanDerWaalsContact CG2-CD1 3.47Å; V70-F86 HydrophobicContact CG2-CE1 3.95Å; F86-K88 VanDerWaalsContact C-N 3.26Å; F86-K88 PolarHBondContact O-N 2.8Å; F86-G89 PolarHBondContact O-N 2.93Å
87K92.3Very high96.1Very high155 Ų15563.2 Ų63.267%0.67433%0.327SS*.G310 helixtrans-66.8-25176.8-73.2-168.9-176.7-177.30114.2S68 H85S68-K87 VanDerWaalsContact OG-CD 3.23Å; S68-K87 WeakPolarHBondContact OG-CD 3.32Å; S68-K87 VanDerWaalsContact OG-CG 3.25Å; S68-K87 WeakPolarHBondContact OG-CG 3.19Å; H85-K87 VanDerWaalsContact C-N 3.31Å; H85-K87 PolarHBondContact O-N 3.24Å; H85-K87 VanDerWaalsContact O-N 3.15Å
88K93.6Very high96.1Very high153 Ų15365.6 Ų65.667%0.66534%0.342SS*.G310 helixtrans-98.8-11.6179.2-71.9178.7-176.2-174.50111.6H85 F86 T90H85-K88 HydrophobicContact CB-CB 4.35Å; H85-K88 WeakPolarHBondContact ND1-CG 3.44Å; H85-K88 PolarHBondContact ND1-N 2.86Å; H85-K88 PolarHBondContact O-N 3.1Å; F86-K88 VanDerWaalsContact C-N 3.26Å; F86-K88 PolarHBondContact O-N 2.8Å; K88-T90 HydrophobicContact CB-CG2 4.09Å; K88-T90 PolarHBondContact O-N 3.13Å
89G90.3Very high96.1Very high68 Ų6867 Ų6770%0.70135%0.347SS*.THydrogen-bonded Turntrans66.411.6-172.700000114.4H85 F86H85-G89 PolarHBondContact O-N 2.89Å; F86-G89 PolarHBondContact O-N 2.93Å
90T94.6Very high96Very high68 Ų6863.1 Ų63.142%0.41734%0.338SS..EExtended strand (participates in β ladder)trans-93.4130.5-174.257.40000111.8C84 H85 K88C84-T90 WeakPolarHBondContact CA-O 3.47Å; C84-T90 WeakPolarHBondContact CB-O 3.36Å; H85-T90 PolarHBondContact N-O 2.93Å; K88-T90 HydrophobicContact CB-CG2 4.09Å; K88-T90 PolarHBondContact O-N 3.13Å
91E95.7Very high96.1Very high93 Ų9358.4 Ų58.444%0.43532%0.318SS..EExtended strand (participates in β ladder)trans-74.4126.3166.3-171.4166136.200109.5K82 N94K82-E91 HydrophobicContact CD-CG 4.47Å; K82-E91 WeakPolarHBondContact CD-OE2 3.38Å; K82-E91 WeakPolarHBondContact CE-OE2 3.31Å; K82-E91 HydrophobicContact CG-CG 4.23Å; K82-E91 IonicContact NZ-OE2 3.07Å; K82-E91 PolarHBondContact NZ-OE2 2.92Å; E91-N94 VanDerWaalsContact OE1-CB 3.27Å; E91-N94 WeakPolarHBondContact OE1-CB 3.26Å; E91-N94 PolarHBondContact OE1-ND2 2.79Å
92I96.4Very high96Very high79 Ų7960.3 Ų60.341%0.40533%0.328SS..EExtended strand (participates in β ladder)trans-91.5-48.6-180-61.2172.1000109.5L69 V83 H85 M127L69-I92 HydrophobicContact CD1-CD1 4.27Å; L69-I92 HydrophobicContact CG-CD1 4.44Å; V83-I92 HydrophobicContact CG1-CB 4.5Å; V83-I92 HydrophobicContact CG1-CD1 4.4Å; V83-I92 WeakPolarHBondContact O-CA 3.43Å; V83-I92 WeakPolarHBondContact O-CB 3.27Å; V83-I92 PolarHBondContact O-N 2.82Å; H85-I92 HydrophobicContact CB-CD1 4.21Å; I92-M127 HydrophobicContact CG2-CG 4.05Å
93C95.4Very high96Very high19 Ų1957.9 Ų57.913%0.12832%0.32CS..EExtended strand (participates in β ladder)trans-153.3159.9176.4700000112.5V83 Y95 M127V83-C93 WeakPolarHBondContact CB-SG 3.38Å; V83-C93 WeakPolarHBondContact CG2-SG 3.34Å; V83-C93 PolarHBondContact N-O 2.87Å; V83-C93 PolarHBondContact O-N 2.87Å; C93-Y95 HydrophobicContact CB-CD2 4.21Å; C93-Y95 HydrophobicContact CB-CE2 3.86Å; C93-Y95 VanDerWaalsContact SG-CE2 3.58Å; C93-M127 HydrophobicContact CB-CB 4.34Å
94N96.8Very high96.1Very high77 Ų7757.9 Ų57.941%0.41232%0.32SS..EExtended strand (participates in β ladder)trans-140.191.8179.8-163-31.1000109.4L81 E91L81-N94 CarbonylContact O-C 3.59Å; L81-N94 WeakPolarHBondContact O-CA 3.23Å; E91-N94 VanDerWaalsContact OE1-CB 3.27Å; E91-N94 WeakPolarHBondContact OE1-CB 3.26Å; E91-N94 PolarHBondContact OE1-ND2 2.79Å
95Y97.5Very high96.2Very high69 Ų6960 Ų6027%0.27133%0.328SS..EExtended strand (participates in β ladder)trans-92.5137.6-178.4-75.8-69.4000110.7K80 L81 C93 H122 M127K80-Y95 CarbonylContact C-O 3.59Å; K80-Y95 VanDerWaalsContact CA-O 3.28Å; K80-Y95 WeakPolarHBondContact CA-O 3.03Å; L81-Y95 PolarHBondContact N-O 2.79Å; L81-Y95 PolarHBondContact O-N 2.95Å; C93-Y95 HydrophobicContact CB-CD2 4.21Å; C93-Y95 HydrophobicContact CB-CE2 3.86Å; C93-Y95 VanDerWaalsContact SG-CE2 3.58Å; Y95-H122 AromaticContact CD2-CE1 3.87Å; Y95-H122 AromaticContact CE2-CE1 3.99Å; Y95-H122 AromaticContact CE2-ND1 3.91Å; Y95-M127 HydrophobicContact CE2-CB 4.13Å; Y95-M127 WeakPolarHBondContact CE2-O 3.41Å; Y95-M127 PolarHBondContact OH-O 3.45Å
96S98Very high96.3Very high83 Ų8358 Ų5858%0.5832%0.319SS*.EExtended strand (participates in β ladder)trans-107130.8169.6-61.50000109.3
97Y98.1Very high96.5Very high18 Ų1857.7 Ų57.77%0.07132%0.318CS..  trans-106.3162.5177.9-61.9-91.9000110.7R79 L81 N99 I101 V113 L115 Y120 H122R79-Y97 PolarHBondContact O-N 3.06Å; L81-Y97 HydrophobicContact CB-CE2 3.67Å; L81-Y97 HydrophobicContact CD2-CE2 4.44Å; Y97-N99 VanDerWaalsContact C-N 3.31Å; Y97-N99 PolarHBondContact O-N 2.67Å; Y97-I101 HydrophobicContact CD2-CD1 3.69Å; Y97-I101 HydrophobicContact CD2-CG1 3.91Å; Y97-I101 HydrophobicContact CE2-CD1 3.95Å; Y97-I101 HydrophobicContact CE2-CG1 4.45Å; Y97-I101 HydrophobicContact CG-CG1 4.46Å; Y97-V113 HydrophobicContact CD1-CG1 4.26Å; Y97-V113 HydrophobicContact CD2-CG1 4.32Å; Y97-V113 HydrophobicContact CE1-CB 4.06Å; Y97-V113 HydrophobicContact CE1-CG1 3.95Å; Y97-V113 HydrophobicContact CE1-CG2 4.27Å; Y97-V113 HydrophobicContact CE2-CG1 4.03Å; Y97-V113 HydrophobicContact CE2-CG2 4.28Å; Y97-V113 HydrophobicContact CG-CG1 4.44Å; Y97-V113 VanDerWaalsContact OH-CG2 3.27Å; Y97-V113 WeakPolarHBondContact OH-CG2 3.47Å; Y97-L115 HydrophobicContact CG-CD2 4.4Å; Y97-Y120 HydrophobicContact CD1-CD1 4.2Å; Y97-Y120 AromaticContact CD1-CD2 3.84Å; Y97-Y120 HydrophobicContact CD1-CD2 3.84Å; Y97-Y120 HydrophobicContact CD1-CE1 4.26Å; Y97-Y120 AromaticContact CD1-CE2 3.93Å; Y97-Y120 HydrophobicContact CD1-CE2 3.93Å; Y97-Y120 HydrophobicContact CD1-CG 4Å; Y97-Y120 AromaticContact CE1-CD1 3.95Å; Y97-Y120 HydrophobicContact CE1-CD1 3.95Å; Y97-Y120 AromaticContact CE1-CD2 3.96Å; Y97-Y120 HydrophobicContact CE1-CD2 3.96Å; Y97-Y120 HydrophobicContact CE1-CE1 4.43Å; Y97-Y120 HydrophobicContact CE1-CE2 4.47Å; Y97-Y120 AromaticContact CE1-CG 3.7Å; Y97-Y120 HydrophobicContact CE1-CG 3.7Å; Y97-H122 AromaticContact CZ-NE2 4Å; Y97-H122 PolarHBondContact OH-CE1 2.86Å; Y97-H122 PolarHBondContact OH-NE2 2.86Å; Y97-H122 VanDerWaalsContact OH-NE2 3.11Å
98S95.5Very high96.7Very high80 Ų8056.5 Ų56.556%0.55931%0.309SS*.SBendtrans-63.3-38.4179.950.60000112.3R79R79-S98 WeakPolarHBondContact CD-O 3.25Å; R79-S98 PolarHBondContact NH1-O 2.77Å
99N96.6Very high96.9Very high76 Ų7651.6 Ų51.641%0.40629%0.289SS..SBendtrans-129.6175.5-176.7-151.7-15.4000112R79 Y97 L115R79-N99 WeakPolarHBondContact CG-O 3.42Å; Y97-N99 VanDerWaalsContact C-N 3.31Å; Y97-N99 PolarHBondContact O-N 2.67Å; N99-L115 HydrophobicContact CB-CD1 4.26Å
100T97.3Very high97.3Very high53 Ų5349.8 Ų49.833%0.32526%0.261SS..  trans-59.6132.6-179.6-66.30000111.3P78 L102 L115P78-T100 HydrophobicContact CB-CG2 4Å; T100-L102 HydrophobicContact CG2-CD2 4.12Å; T100-L102 PolarHBondContact O-N 3.25Å; T100-L115 WeakPolarHBondContact O-CD2 3.46Å
101I98.5Very high97.5Very high4 Ų446.5 Ų46.52%0.02124%0.241CC..  trans-76.3118.1174.3-58.8165.7000108.3I60 V73 P78 L81 Y97 V104 V113 L115I60-I101 HydrophobicContact CD1-CG2 4.05Å; V73-I101 HydrophobicContact CG1-CB 4.35Å; V73-I101 HydrophobicContact CG1-CD1 4.26Å; V73-I101 HydrophobicContact CG2-CB 4.23Å; V73-I101 HydrophobicContact CG2-CD1 3.76Å; V73-I101 HydrophobicContact CG2-CG2 4.04Å; P78-I101 PolarHBondContact O-N 3.01Å; L81-I101 HydrophobicContact CB-CD1 3.87Å; Y97-I101 HydrophobicContact CD2-CD1 3.69Å; Y97-I101 HydrophobicContact CD2-CG1 3.91Å; Y97-I101 HydrophobicContact CE2-CD1 3.95Å; Y97-I101 HydrophobicContact CE2-CG1 4.45Å; Y97-I101 HydrophobicContact CG-CG1 4.46Å; I101-V104 HydrophobicContact CG2-CG2 3.7Å; I101-V113 HydrophobicContact CB-CG1 4.37Å; I101-V113 HydrophobicContact CD1-CG1 4.37Å; I101-V113 HydrophobicContact CG1-CG1 3.89Å; I101-V113 HydrophobicContact CG2-CG1 3.77Å; I101-L115 HydrophobicContact CB-CD2 4.47Å; I101-L115 HydrophobicContact CG1-CD2 4.06Å
102L97.8Very high97.6Very high41 Ų4142.1 Ų42.122%0.21522%0.22CC..  trans-93.7-35.7-179.1-58.6178.5000111.8T100 C114 E116 N139T100-L102 HydrophobicContact CG2-CD2 4.12Å; T100-L102 PolarHBondContact O-N 3.25Å; L102-C114 PolarHBondContact N-O 3.46Å; L102-E116 HydrophobicContact CD1-CB 3.98Å; L102-N139 WeakPolarHBondContact CD1-O 2.97Å
103A98.2Very high97.7Very high14 Ų1438.3 Ų38.312%0.11620%0.201CC..EExtended strand (participates in β ladder)trans-148.5151.6175.500000112.4C114 G142A103-C114 HydrophobicContact CB-CB 3.97Å; A103-C114 PolarHBondContact N-O 2.89Å; A103-C114 PolarHBondContact O-N 2.85Å; A103-G142 VanDerWaalsContact CB-O 3.25Å; A103-G142 WeakPolarHBondContact CB-O 3.42Å
104V98.6Very high97.9Very high1 Ų137.4 Ų37.41%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-126.7135169.7-177.20000108.1I60 E62 A71 V73 L81 I101 L106 L111 I112I60-V104 HydrophobicContact CG2-CB 4.26Å; I60-V104 HydrophobicContact CG2-CG2 4.2Å; E62-V104 HydrophobicContact CG-CB 4.47Å; E62-V104 WeakPolarHBondContact CG-O 3.18Å; A71-V104 HydrophobicContact CB-CG1 3.86Å; V73-V104 HydrophobicContact CG2-CG2 4.26Å; L81-V104 HydrophobicContact CD1-CG1 4.38Å; L81-V104 HydrophobicContact CD1-CG2 3.95Å; I101-V104 HydrophobicContact CG2-CG2 3.7Å; V104-L106 HydrophobicContact CG1-CD1 4.12Å; V104-L111 HydrophobicContact CG1-CD2 4.4Å; V104-L111 HydrophobicContact CG1-CG 4.41Å; V104-I112 CarbonylContact C-O 3.5Å; V104-I112 VanDerWaalsContact CA-O 3.28Å; V104-I112 WeakPolarHBondContact CA-O 3.06Å
105K98.6Very high97.9Very high53 Ų5333.9 Ų33.923%0.2318%0.175CC..EExtended strand (participates in β ladder)trans-133.2142.7175-62.6-65.2166-159.40110.4N19 E62 L111 I112 L146N19-K105 PolarHBondContact ND2-NZ 3.22Å; E62-K105 IonicContact OE1-NZ 2.7Å; E62-K105 PolarHBondContact OE1-NZ 3.45Å; K105-L111 CarbonylContact O-C 3.55Å; K105-L111 WeakPolarHBondContact O-CA 3.32Å; K105-I112 HydrophobicContact CB-CB 4.32Å; K105-I112 PolarHBondContact N-O 2.85Å; K105-I112 PolarHBondContact O-N 2.93Å; K105-L146 HydrophobicContact CB-CB 3.88Å; K105-L146 HydrophobicContact CB-CD2 4.22Å
106L98.4Very high97.9Very high7 Ų734.1 Ų34.14%0.03718%0.179CC..EExtended strand (participates in β ladder)trans-132.3144.2-177.9-50.195000110.8Q22 E62 L64 L69 A71 V104 R110 L111 I124Q22-L106 WeakPolarHBondContact CG-O 3.13Å; Q22-L106 PolarHBondContact NE2-O 3.06Å; E62-L106 HydrophobicContact CB-CD1 3.44Å; E62-L106 VanDerWaalsContact CB-CD1 3.44Å; E62-L106 HydrophobicContact CG-CD1 4.46Å; L64-L106 HydrophobicContact CD1-CB 3.95Å; L69-L106 HydrophobicContact CD2-CD2 3.87Å; A71-L106 HydrophobicContact CB-CD1 4.21Å; A71-L106 HydrophobicContact CB-CD2 4.29Å; V104-L106 HydrophobicContact CG1-CD1 4.12Å; L106-R110 WeakPolarHBondContact CA-O 3.42Å; L106-L111 HydrophobicContact CD2-CB 4.4Å; L106-L111 HydrophobicContact CD2-CD1 3.84Å; L106-L111 HydrophobicContact CD2-CG 4.07Å; L106-L111 HydrophobicContact CG-CG 4.22Å; L106-I124 HydrophobicContact CD2-CD1 3.84Å
107N98.1Very high97.9Very high0 Ų035.4 Ų35.40%018%0.176CC..  trans-133.8-170.8160.971.221.3000108.8L64 Q109 R110 L146 S147 C153L64-N107 VanDerWaalsContact CD1-O 3.22Å; L64-N107 WeakPolarHBondContact CD1-O 3.37Å; N107-Q109 PolarHBondContact O-N 2.92Å; N107-Q109 WeakPolarHBondContact OD1-CA 3.16Å; N107-Q109 PolarHBondContact OD1-N 3.47Å; N107-R110 PolarHBondContact N-O 2.83Å; N107-R110 PolarHBondContact OD1-N 3.48Å; N107-L146 HydrophobicContact CB-CD2 3.92Å; N107-L146 HydrophobicContact CB-CG 4.4Å; N107-S147 PolarHBondContact ND2-O 3.27Å; N107-C153 PolarHBondContact ND2-SG 3.32Å
108R97.1Very high97.9Very high131 Ų13135.3 Ų35.349%0.49418%0.178SC..SBendtrans-75.80.9-176.4-55.7-176.1179.8-85.5-1.2114.4F65 I124F65-R108 HydrophobicContact CD2-CG 4.02Å; F65-R108 HydrophobicContact CE2-CG 3.49Å; F65-R108 VanDerWaalsContact CE2-CG 3.49Å; F65-R108 HydrophobicContact CZ-CG 4.15Å; R108-I124 VanDerWaalsContact O-CG2 3.24Å; R108-I124 WeakPolarHBondContact O-CG2 3.46Å
109Q97.3Very high98Very high50 Ų5031.5 Ų31.523%0.23415%0.151CC..SBendtrans-124.6-29.8179.4-66.6-175.7-700113.2N107 I124 N150 C153N107-Q109 PolarHBondContact O-N 2.92Å; N107-Q109 WeakPolarHBondContact OD1-CA 3.16Å; N107-Q109 PolarHBondContact OD1-N 3.47Å; Q109-I124 PolarHBondContact O-N 3.45Å; Q109-I124 VanDerWaalsContact O-N 3.14Å; Q109-N150 PolarHBondContact NE2-O 2.81Å; Q109-C153 PolarHBondContact OE1-SG 3.42Å; Q109-C153 VanDerWaalsContact OE1-SG 3.32Å
110R98.3Very high98.1Very high29 Ų2929.9 Ų29.911%0.10914%0.14CC..EExtended strand (participates in β ladder)trans-135.5146-167.8-60.9-61.9-179.8-96.6-0.2112.6L106 N107 I112 I121 H122 T171L106-R110 WeakPolarHBondContact CA-O 3.42Å; N107-R110 PolarHBondContact N-O 2.83Å; N107-R110 PolarHBondContact OD1-N 3.48Å; R110-I112 HydrophobicContact CB-CD1 4.24Å; R110-I121 HydrophobicContact CG-CG2 4.4Å; R110-H122 VanDerWaalsContact CA-O 3.24Å; R110-H122 WeakPolarHBondContact CA-O 3.38Å; R110-H122 WeakPolarHBondContact CD-O 3.44Å; R110-T171 VanDerWaalsContact CZ-O 3.25Å; R110-T171 PolarHBondContact NE-O 3.4Å; R110-T171 PolarHBondContact NH2-O 2.86Å
111L98.6Very high98.2Very high0 Ų027.3 Ų27.30%012%0.124CC..EExtended strand (participates in β ladder)trans-116.6125.6162178.8164000107L81 V83 V104 K105 L106 V113 H122 I124 M127L81-L111 HydrophobicContact CD2-CD1 4.18Å; L81-L111 HydrophobicContact CD2-CD2 3.8Å; V83-L111 HydrophobicContact CG2-CD1 3.95Å; V104-L111 HydrophobicContact CG1-CD2 4.4Å; V104-L111 HydrophobicContact CG1-CG 4.41Å; K105-L111 CarbonylContact O-C 3.55Å; K105-L111 WeakPolarHBondContact O-CA 3.32Å; L106-L111 HydrophobicContact CD2-CB 4.4Å; L106-L111 HydrophobicContact CD2-CD1 3.84Å; L106-L111 HydrophobicContact CD2-CG 4.07Å; L106-L111 HydrophobicContact CG-CG 4.22Å; L111-V113 HydrophobicContact CD2-CG2 3.51Å; L111-H122 HydrophobicContact CB-CB 4.1Å; L111-H122 HydrophobicContact CD2-CB 4.34Å; L111-H122 PolarHBondContact N-O 3.02Å; L111-H122 WeakPolarHBondContact O-CB 3.43Å; L111-H122 PolarHBondContact O-N 2.95Å; L111-I124 HydrophobicContact CB-CD1 3.95Å; L111-I124 HydrophobicContact CD1-CD1 4.45Å; L111-M127 HydrophobicContact CD1-SD 4.19Å
112I98.8Very high98.2Very high0 Ų027.2 Ų27.20%012%0.123CC..EExtended strand (participates in β ladder)trans-109130.7-179.8-52.1-60.8000108.3V104 K105 R110 L119 Y120 I121 L146 L155V104-I112 CarbonylContact C-O 3.5Å; V104-I112 VanDerWaalsContact CA-O 3.28Å; V104-I112 WeakPolarHBondContact CA-O 3.06Å; K105-I112 HydrophobicContact CB-CB 4.32Å; K105-I112 PolarHBondContact N-O 2.85Å; K105-I112 PolarHBondContact O-N 2.93Å; R110-I112 HydrophobicContact CB-CD1 4.24Å; I112-L119 HydrophobicContact CG2-CD2 4.24Å; I112-Y120 WeakPolarHBondContact CA-O 3.21Å; I112-I121 HydrophobicContact CD1-CB 4.14Å; I112-I121 HydrophobicContact CD1-CG1 3.9Å; I112-I121 HydrophobicContact CD1-CG2 3.9Å; I112-L146 HydrophobicContact CD1-CD1 4.31Å; I112-L146 HydrophobicContact CG1-CB 4.48Å; I112-L146 HydrophobicContact CG1-CD1 3.9Å; I112-L146 HydrophobicContact CG1-CD2 3.8Å; I112-L146 HydrophobicContact CG1-CG 4.27Å; I112-L155 HydrophobicContact CD1-CD2 4.24Å; I112-L155 HydrophobicContact CG1-CD1 4.37Å; I112-L155 HydrophobicContact CG2-CD1 4.06Å; I112-L155 HydrophobicContact CG2-CD2 4.24Å
113V98.8Very high98.2Very high0 Ų026.7 Ų26.70%012%0.121CC..EExtended strand (participates in β ladder)trans-115.1120.8169.2-178.60000108.5L81 Y97 I101 L111 L115 L119 Y120L81-V113 HydrophobicContact CD2-CG2 3.78Å; Y97-V113 HydrophobicContact CD1-CG1 4.26Å; Y97-V113 HydrophobicContact CD2-CG1 4.32Å; Y97-V113 HydrophobicContact CE1-CB 4.06Å; Y97-V113 HydrophobicContact CE1-CG1 3.95Å; Y97-V113 HydrophobicContact CE1-CG2 4.27Å; Y97-V113 HydrophobicContact CE2-CG1 4.03Å; Y97-V113 HydrophobicContact CE2-CG2 4.28Å; Y97-V113 HydrophobicContact CG-CG1 4.44Å; Y97-V113 VanDerWaalsContact OH-CG2 3.27Å; Y97-V113 WeakPolarHBondContact OH-CG2 3.47Å; I101-V113 HydrophobicContact CB-CG1 4.37Å; I101-V113 HydrophobicContact CD1-CG1 4.37Å; I101-V113 HydrophobicContact CG1-CG1 3.89Å; I101-V113 HydrophobicContact CG2-CG1 3.77Å; L111-V113 HydrophobicContact CD2-CG2 3.51Å; V113-L115 HydrophobicContact CG1-CD2 4.12Å; V113-L119 CarbonylContact O-C 3.56Å; V113-L119 WeakPolarHBondContact O-CA 3.3Å; V113-Y120 PolarHBondContact N-O 2.89Å; V113-Y120 PolarHBondContact O-N 2.85Å
114C98.5Very high98.1Very high0 Ų026.7 Ų26.70%012%0.119CC..EExtended strand (participates in β ladder)trans-99.9120177.6-165.80000109.4L102 A103 L119L102-C114 PolarHBondContact N-O 3.46Å; A103-C114 HydrophobicContact CB-CB 3.97Å; A103-C114 PolarHBondContact N-O 2.89Å; A103-C114 PolarHBondContact O-N 2.85Å; C114-L119 HydrophobicContact CB-CD2 4.4Å
115L98.1Very high97.9Very high2 Ų237.3 Ų37.31%0.0116%0.159CC..  trans-98.2-174.9162-47.7-171.3000108.2Y97 N99 T100 I101 V113 S118 Y120Y97-L115 HydrophobicContact CG-CD2 4.4Å; N99-L115 HydrophobicContact CB-CD1 4.26Å; T100-L115 WeakPolarHBondContact O-CD2 3.46Å; I101-L115 HydrophobicContact CB-CD2 4.47Å; I101-L115 HydrophobicContact CG1-CD2 4.06Å; V113-L115 HydrophobicContact CG1-CD2 4.12Å; L115-S118 PolarHBondContact N-O 2.8Å; L115-Y120 HydrophobicContact CD1-CD2 4.39Å; L115-Y120 HydrophobicContact CD1-CE2 3.67Å; L115-Y120 HydrophobicContact CG-CD2 4.4Å; L115-Y120 HydrophobicContact CG-CE2 4.14Å
116E96.9Very high97.8Very high74 Ų7438.5 Ų38.535%0.34617%0.168SC..SBendtrans-66.8-42.3-179.6-171168.2-176.200113.3L102 N139L102-E116 HydrophobicContact CD1-CB 3.98Å; E116-N139 WeakPolarHBondContact O-CB 3.31Å; E116-N139 PolarHBondContact O-N 2.85Å
117E97.3Very high97.6Very high111 Ų11138.6 Ų38.652%0.51917%0.168SC..SBendtrans-124.314.5-174.7-60.4-177.2150.800113E135 T136E117-E135 PolarHBondContact O-N 3.47Å; E117-T136 WeakPolarHBondContact CA-OG1 3.38Å; E117-T136 PolarHBondContact O-N 2.94Å; E117-T136 VanDerWaalsContact O-N 3.1Å; E117-T136 PolarHBondContact O-OG1 3.14Å
118S98.1Very high97.6Very high15 Ų1544.8 Ų44.811%0.10520%0.195CC..  trans-155.5151.5177.153.40000112.9L115 I133 T136L115-S118 PolarHBondContact N-O 2.8Å; S118-I133 CarbonylContact C-O 3.57Å; S118-I133 WeakPolarHBondContact CA-O 3.41Å; S118-I133 VanDerWaalsContact CB-O 3.3Å; S118-I133 WeakPolarHBondContact CB-O 3.49Å; S118-T136 PolarHBondContact N-OG1 3.05Å
119L98.6Very high97.6Very high1 Ų141.7 Ų41.71%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-122.7131.8172.3-63.495.4000110.1I112 V113 C114 T132 I133 T136 C144 L155 Y157I112-L119 HydrophobicContact CG2-CD2 4.24Å; V113-L119 CarbonylContact O-C 3.56Å; V113-L119 WeakPolarHBondContact O-CA 3.3Å; C114-L119 HydrophobicContact CB-CD2 4.4Å; L119-T132 WeakPolarHBondContact O-CA 3.4Å; L119-I133 HydrophobicContact CB-CB 4.39Å; L119-I133 PolarHBondContact N-O 2.99Å; L119-I133 PolarHBondContact O-N 3.18Å; L119-T136 HydrophobicContact CD1-CG2 3.69Å; L119-C144 HydrophobicContact CD2-CB 4.11Å; L119-L155 HydrophobicContact CD2-CD1 4.33Å; L119-L155 HydrophobicContact CD2-CD2 4.05Å; L119-Y157 HydrophobicContact CD1-CD2 4.08Å; L119-Y157 HydrophobicContact CD1-CE2 4.43Å; L119-Y157 HydrophobicContact CD1-CG 4.12Å; L119-Y157 HydrophobicContact CD2-CG 4.44Å
120Y98.7Very high97.6Very high41 Ų4142.6 Ų42.616%0.16120%0.197CC..EExtended strand (participates in β ladder)trans-103128.7175.4-67.3-107.2000109.2Y97 I112 V113 L115 V129 T132Y97-Y120 HydrophobicContact CD1-CD1 4.2Å; Y97-Y120 AromaticContact CD1-CD2 3.84Å; Y97-Y120 HydrophobicContact CD1-CD2 3.84Å; Y97-Y120 HydrophobicContact CD1-CE1 4.26Å; Y97-Y120 AromaticContact CD1-CE2 3.93Å; Y97-Y120 HydrophobicContact CD1-CE2 3.93Å; Y97-Y120 HydrophobicContact CD1-CG 4Å; Y97-Y120 AromaticContact CE1-CD1 3.95Å; Y97-Y120 HydrophobicContact CE1-CD1 3.95Å; Y97-Y120 AromaticContact CE1-CD2 3.96Å; Y97-Y120 HydrophobicContact CE1-CD2 3.96Å; Y97-Y120 HydrophobicContact CE1-CE1 4.43Å; Y97-Y120 HydrophobicContact CE1-CE2 4.47Å; Y97-Y120 AromaticContact CE1-CG 3.7Å; Y97-Y120 HydrophobicContact CE1-CG 3.7Å; I112-Y120 WeakPolarHBondContact CA-O 3.21Å; V113-Y120 PolarHBondContact N-O 2.89Å; V113-Y120 PolarHBondContact O-N 2.85Å; L115-Y120 HydrophobicContact CD1-CD2 4.39Å; L115-Y120 HydrophobicContact CD1-CE2 3.67Å; L115-Y120 HydrophobicContact CG-CD2 4.4Å; L115-Y120 HydrophobicContact CG-CE2 4.14Å; Y120-V129 HydrophobicContact CD1-CG1 4.24Å; Y120-T132 HydrophobicContact CD1-CG2 4.02Å; Y120-T132 HydrophobicContact CD2-CG2 4.34Å; Y120-T132 HydrophobicContact CE1-CG2 3.82Å; Y120-T132 HydrophobicContact CE2-CG2 4.13Å; Y120-T132 HydrophobicContact CG-CG2 4.27Å
121I98.7Very high97.6Very high0 Ų044.4 Ų44.40%021%0.206CC..EExtended strand (participates in β ladder)trans-108.8113.2179.3-53.7-177.6000107.7R110 I112 L130 H131 I133 L155 F169 T171 L174R110-I121 HydrophobicContact CG-CG2 4.4Å; I112-I121 HydrophobicContact CD1-CB 4.14Å; I112-I121 HydrophobicContact CD1-CG1 3.9Å; I112-I121 HydrophobicContact CD1-CG2 3.9Å; I121-L130 WeakPolarHBondContact O-CB 3.28Å; I121-L130 PolarHBondContact O-N 3.28Å; I121-H131 HydrophobicContact CB-CB 4.31Å; I121-H131 HydrophobicContact CD1-CB 4.43Å; I121-H131 PolarHBondContact N-O 3.05Å; I121-H131 PolarHBondContact O-N 2.88Å; I121-I133 HydrophobicContact CD1-CD1 4.18Å; I121-I133 HydrophobicContact CD1-CG1 4.37Å; I121-L155 HydrophobicContact CD1-CD2 4.3Å; I121-L155 HydrophobicContact CG1-CD2 4.49Å; I121-F169 HydrophobicContact CD1-CD1 3.75Å; I121-F169 HydrophobicContact CD1-CE1 3.36Å; I121-F169 HydrophobicContact CD1-CZ 4.16Å; I121-T171 HydrophobicContact CD1-CG2 4.4Å; I121-L174 HydrophobicContact CD1-CD2 4.49Å; I121-L174 HydrophobicContact CG2-CD2 4.27Å
122H98.6Very high97.6Very high1 Ų145.8 Ų45.81%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-106.7151.6179.3-66.2-141.9000110.4Y95 Y97 R110 L111 M127 K128 V129Y95-H122 AromaticContact CD2-CE1 3.87Å; Y95-H122 AromaticContact CE2-CE1 3.99Å; Y95-H122 AromaticContact CE2-ND1 3.91Å; Y97-H122 AromaticContact CZ-NE2 4Å; Y97-H122 PolarHBondContact OH-CE1 2.86Å; Y97-H122 PolarHBondContact OH-NE2 2.86Å; Y97-H122 VanDerWaalsContact OH-NE2 3.11Å; R110-H122 VanDerWaalsContact CA-O 3.24Å; R110-H122 WeakPolarHBondContact CA-O 3.38Å; R110-H122 WeakPolarHBondContact CD-O 3.44Å; L111-H122 HydrophobicContact CB-CB 4.1Å; L111-H122 HydrophobicContact CD2-CB 4.34Å; L111-H122 PolarHBondContact N-O 3.02Å; L111-H122 WeakPolarHBondContact O-CB 3.43Å; L111-H122 PolarHBondContact O-N 2.95Å; H122-M127 PolarHBondContact ND1-O 2.7Å; H122-K128 CarbonylContact C-O 3.51Å; H122-K128 WeakPolarHBondContact CA-O 3.5Å; H122-K128 WeakPolarHBondContact CB-O 3.34Å; H122-V129 WeakPolarHBondContact NE2-CG2 3.44Å
123N97.7Very high97.6Very high31 Ų3146.5 Ų46.517%0.16622%0.218CC..EExtended strand (participates in β ladder)trans-79.5127166177.44.2000109.5R125 D126 M127 K128 L130N123-R125 PolarHBondContact O-N 2.94Å; N123-R125 PolarHBondContact OD1-N 3.14Å; N123-D126 VanDerWaalsContact CB-OD1 3.25Å; N123-D126 WeakPolarHBondContact CB-OD1 3.38Å; N123-D126 PolarHBondContact ND2-OD1 3.33Å; N123-D126 PolarHBondContact ND2-OD2 3.47Å; N123-M127 WeakPolarHBondContact O-CA 3.43Å; N123-M127 PolarHBondContact O-N 3.35Å; N123-K128 PolarHBondContact N-O 3.4Å; N123-L130 HydrophobicContact CB-CD1 3.8Å; N123-L130 HydrophobicContact CB-CD2 4Å; N123-L130 HydrophobicContact CB-CG 3.84Å
124I96.4Very high97.5Very high14 Ų1455 Ų557%0.07225%0.251CS..THydrogen-bonded Turntrans-68.2-21.1-178.3-161.467.7000113.3L64 L69 L106 R108 Q109 L111 M127L64-I124 HydrophobicContact CD2-CD1 4.32Å; L64-I124 HydrophobicContact CD2-CG1 3.96Å; L69-I124 HydrophobicContact CD2-CD1 4.19Å; L106-I124 HydrophobicContact CD2-CD1 3.84Å; R108-I124 VanDerWaalsContact O-CG2 3.24Å; R108-I124 WeakPolarHBondContact O-CG2 3.46Å; Q109-I124 PolarHBondContact O-N 3.45Å; Q109-I124 VanDerWaalsContact O-N 3.14Å; L111-I124 HydrophobicContact CB-CD1 3.95Å; L111-I124 HydrophobicContact CD1-CD1 4.45Å; I124-M127 HydrophobicContact CD1-CE 3.93Å; I124-M127 HydrophobicContact CD1-SD 4.4Å; I124-M127 HydrophobicContact CG1-CE 4.33Å; I124-M127 WeakPolarHBondContact O-CE 3.5Å
125R95.1Very high97.2Very high223 Ų22363.8 Ų63.884%0.84229%0.292SS*.THydrogen-bonded Turntrans-78.6-42.1-174.6-66.4-175.3-178.71791.2112.8N123N123-R125 PolarHBondContact O-N 2.94Å; N123-R125 PolarHBondContact OD1-N 3.14Å
126D95.6Very high97.2Very high78 Ų7864.3 Ų64.342%0.41730%0.295SS..THydrogen-bonded Turntrans-114.1-1-177.661.617.5000113.2N123 K128N123-D126 VanDerWaalsContact CB-OD1 3.25Å; N123-D126 WeakPolarHBondContact CB-OD1 3.38Å; N123-D126 PolarHBondContact ND2-OD1 3.33Å; N123-D126 PolarHBondContact ND2-OD2 3.47Å; D126-K128 HydrophobicContact CB-CG 4.41Å; D126-K128 PolarHBondContact O-N 3.41Å; D126-K128 VanDerWaalsContact O-N 3.12Å; D126-K128 WeakPolarHBondContact OD1-CB 3.45Å; D126-K128 PolarHBondContact OD1-N 2.62Å
127M95.4Very high97.2Very high9 Ų962.6 Ų62.64%0.04429%0.29CS..  trans62.44.7-177.7-61.2-61166.300115.9L69 V83 I92 C93 Y95 L111 H122 N123 I124L69-M127 HydrophobicContact CD1-CE 3.56Å; L69-M127 HydrophobicContact CD2-CE 4.32Å; L69-M127 HydrophobicContact CG-CE 4.38Å; V83-M127 HydrophobicContact CG1-CE 4.01Å; V83-M127 HydrophobicContact CG1-SD 4.39Å; I92-M127 HydrophobicContact CG2-CG 4.05Å; C93-M127 HydrophobicContact CB-CB 4.34Å; Y95-M127 HydrophobicContact CE2-CB 4.13Å; Y95-M127 WeakPolarHBondContact CE2-O 3.41Å; Y95-M127 PolarHBondContact OH-O 3.45Å; L111-M127 HydrophobicContact CD1-SD 4.19Å; H122-M127 PolarHBondContact ND1-O 2.7Å; N123-M127 WeakPolarHBondContact O-CA 3.43Å; N123-M127 PolarHBondContact O-N 3.35Å; I124-M127 HydrophobicContact CD1-CE 3.93Å; I124-M127 HydrophobicContact CD1-SD 4.4Å; I124-M127 HydrophobicContact CG1-CE 4.33Å; I124-M127 WeakPolarHBondContact O-CE 3.5Å
128K96.4Very high97.1Very high131 Ų13160.1 Ų60.157%0.5728%0.284SS*.  trans-73.5146.5-177.3-66.7-177177.8-179.80111.7H122 N123 D126 L130H122-K128 CarbonylContact C-O 3.51Å; H122-K128 WeakPolarHBondContact CA-O 3.5Å; H122-K128 WeakPolarHBondContact CB-O 3.34Å; N123-K128 PolarHBondContact N-O 3.4Å; D126-K128 HydrophobicContact CB-CG 4.41Å; D126-K128 PolarHBondContact O-N 3.41Å; D126-K128 VanDerWaalsContact O-N 3.12Å; D126-K128 WeakPolarHBondContact OD1-CB 3.45Å; D126-K128 PolarHBondContact OD1-N 2.62Å; K128-L130 PolarHBondContact O-N 2.85Å
129V97.9Very high97.1Very high66 Ų6659.8 Ų59.840%0.428%0.281SS..EExtended strand (participates in β ladder)trans-64.9121.5168.6-173.80000108.4Y120 H122Y120-V129 HydrophobicContact CD1-CG1 4.24Å; H122-V129 WeakPolarHBondContact NE2-CG2 3.44Å
130L98.1Very high96.9Very high69 Ų6964.1 Ų64.136%0.36131%0.309SS..EExtended strand (participates in β ladder)trans-91.8-42.2173.2-66.6179.4000111.5I121 N123 K128 L174I121-L130 WeakPolarHBondContact O-CB 3.28Å; I121-L130 PolarHBondContact O-N 3.28Å; N123-L130 HydrophobicContact CB-CD1 3.8Å; N123-L130 HydrophobicContact CB-CD2 4Å; N123-L130 HydrophobicContact CB-CG 3.84Å; K128-L130 PolarHBondContact O-N 2.85Å; L130-L174 HydrophobicContact CB-CD1 4.26Å
131H98.5Very high96.6Very high66 Ų6666.3 Ų66.331%0.30633%0.33SS..EExtended strand (participates in β ladder)trans-152.8151.8-174.4-167.774.4000110.6I121 F169 L174I121-H131 HydrophobicContact CB-CB 4.31Å; I121-H131 HydrophobicContact CD1-CB 4.43Å; I121-H131 PolarHBondContact N-O 3.05Å; I121-H131 PolarHBondContact O-N 2.88Å; H131-F169 AromaticContact CD2-CZ 3.59Å; H131-F169 AromaticContact NE2-CZ 3.77Å; H131-L174 HydrophobicContact CB-CD1 4.23Å; H131-L174 HydrophobicContact CB-CD2 3.9Å; H131-L174 HydrophobicContact CB-CG 4.45Å
132T98.4Very high96.5Very high30 Ų3066.6 Ų66.618%0.18433%0.333CS..EExtended strand (participates in β ladder)trans-128118.2173.2-54.20000108.1L119 Y120 R134L119-T132 WeakPolarHBondContact O-CA 3.4Å; Y120-T132 HydrophobicContact CD1-CG2 4.02Å; Y120-T132 HydrophobicContact CD2-CG2 4.34Å; Y120-T132 HydrophobicContact CE1-CG2 3.82Å; Y120-T132 HydrophobicContact CE2-CG2 4.13Å; Y120-T132 HydrophobicContact CG-CG2 4.27Å; T132-R134 HydrophobicContact CG2-CG 3.69Å; T132-R134 PolarHBondContact O-N 3.07Å
133I98.3Very high96.4Very high15 Ų1567.6 Ų67.68%0.07734%0.338CS..EExtended strand (participates in β ladder)trans-82.4113.5167.8-52.8177.9000105.9S118 L119 I121 T136 L155 Y157 F169S118-I133 CarbonylContact C-O 3.57Å; S118-I133 WeakPolarHBondContact CA-O 3.41Å; S118-I133 VanDerWaalsContact CB-O 3.3Å; S118-I133 WeakPolarHBondContact CB-O 3.49Å; L119-I133 HydrophobicContact CB-CB 4.39Å; L119-I133 PolarHBondContact N-O 2.99Å; L119-I133 PolarHBondContact O-N 3.18Å; I121-I133 HydrophobicContact CD1-CD1 4.18Å; I121-I133 HydrophobicContact CD1-CG1 4.37Å; I133-T136 HydrophobicContact CB-CG2 4.47Å; I133-T136 HydrophobicContact CG2-CG2 3.59Å; I133-L155 HydrophobicContact CD1-CD2 4.24Å; I133-Y157 HydrophobicContact CD1-CE1 3.79Å; I133-Y157 WeakPolarHBondContact CG2-OH 3.47Å; I133-F169 HydrophobicContact CD1-CB 4.29Å; I133-F169 HydrophobicContact CD1-CD1 4.07Å; I133-F169 HydrophobicContact CD1-CD2 3.61Å; I133-F169 HydrophobicContact CD1-CE1 4.28Å; I133-F169 HydrophobicContact CD1-CE2 3.85Å; I133-F169 HydrophobicContact CD1-CG 3.73Å; I133-F169 HydrophobicContact CD1-CZ 4.18Å; I133-F169 HydrophobicContact CG1-CD2 4.32Å; I133-F169 HydrophobicContact CG1-CE2 4.07Å; I133-F169 HydrophobicContact CG1-CZ 4.27Å
134R96.3Very high96.5Very high179 Ų17966.6 Ų66.668%0.67533%0.334SS*.  trans-105.5164.2-179.9-61.2-175.9-179.5-165.6-0.3109.9T132 T136T132-R134 HydrophobicContact CG2-CG 3.69Å; T132-R134 PolarHBondContact O-N 3.07Å; R134-T136 PolarHBondContact O-N 2.8Å
135E93Very high96.6Very high184 Ų18466.3 Ų66.386%0.8633%0.333SS*.SBendtrans57.636.7173.2-59.2168.3-158.100111.9E117E117-E135 PolarHBondContact O-N 3.47Å
136T96.7Very high96.7Very high12 Ų1256.6 Ų56.67%0.07430%0.298CS..PPolyproline II helixtrans-71.7152.1170.265.30000109.3E117 S118 L119 I133 R134 Y157E117-T136 WeakPolarHBondContact CA-OG1 3.38Å; E117-T136 PolarHBondContact O-N 2.94Å; E117-T136 VanDerWaalsContact O-N 3.1Å; E117-T136 PolarHBondContact O-OG1 3.14Å; S118-T136 PolarHBondContact N-OG1 3.05Å; L119-T136 HydrophobicContact CD1-CG2 3.69Å; I133-T136 HydrophobicContact CB-CG2 4.47Å; I133-T136 HydrophobicContact CG2-CG2 3.59Å; R134-T136 PolarHBondContact O-N 2.8Å; T136-Y157 HydrophobicContact CG2-CD2 4.3Å; T136-Y157 HydrophobicContact CG2-CE2 3.8Å
137P96.9Very high96.9Very high38 Ų3852.9 Ų52.925%0.24728%0.278CS..PPolyproline II helixtrans-51.8149.5169.2-19.226.3000111.3N139 G159 A161P137-N139 PolarHBondContact O-N 3.4Å; P137-G159 VanDerWaalsContact CG-C 3.44Å; P137-G159 WeakPolarHBondContact CG-O 3.44Å; P137-A161 HydrophobicContact CB-CB 4.4Å
138P96.8Very high97Very high60 Ų6054.4 Ų54.439%0.3929%0.286SS..PPolyproline II helixtrans-53.4122.9178.6-28.335000112.4P140P138-P140 VanDerWaalsContact C-CD 3.45Å; P138-P140 WeakPolarHBondContact O-CD 3.21Å
139N96.5Very high97Very high7 Ų749 Ų494%0.03727%0.265CS..  trans-123.668.7-179-175.311.9000110.6L102 E116 P137 S141 G142 L143L102-N139 WeakPolarHBondContact CD1-O 2.97Å; E116-N139 WeakPolarHBondContact O-CB 3.31Å; E116-N139 PolarHBondContact O-N 2.85Å; P137-N139 PolarHBondContact O-N 3.4Å; N139-S141 PolarHBondContact O-N 3.18Å; N139-S141 VanDerWaalsContact O-N 3.12Å; N139-S141 PolarHBondContact OD1-OG 3.31Å; N139-G142 PolarHBondContact O-N 2.82Å; N139-G142 PolarHBondContact OD1-N 2.97Å; N139-L143 PolarHBondContact ND2-N 3.36Å; N139-L143 VanDerWaalsContact ND2-N 3.2Å; N139-L143 PolarHBondContact ND2-O 2.66Å; N139-L143 PolarHBondContact OD1-N 2.88Å
140P94.6Very high96.7Very high93 Ų9349.1 Ų49.160%0.60426%0.263SS*.THydrogen-bonded Turntrans-66.1-18.2-173.127.4-36.5000113.4P138P138-P140 VanDerWaalsContact C-CD 3.45Å; P138-P140 WeakPolarHBondContact O-CD 3.21Å
141S93.1Very high96.4Very high87 Ų8752.8 Ų52.861%0.60828%0.283SS*.THydrogen-bonded Turntrans-85.5-9.4175.564.30000113.5N139 L143N139-S141 PolarHBondContact O-N 3.18Å; N139-S141 VanDerWaalsContact O-N 3.12Å; N139-S141 PolarHBondContact OD1-OG 3.31Å; S141-L143 PolarHBondContact O-N 3.02Å; S141-L143 WeakPolarHBondContact OG-CB 3.07Å
142G96.3Very high96.3Very high5 Ų552 Ų525%0.05228%0.281CS..  trans64.227.7-173.600000113.3A103 N139 C144A103-G142 VanDerWaalsContact CB-O 3.25Å; A103-G142 WeakPolarHBondContact CB-O 3.42Å; N139-G142 PolarHBondContact O-N 2.82Å; N139-G142 PolarHBondContact OD1-N 2.97Å; G142-C144 PolarHBondContact O-N 2.82Å; G142-C144 VanDerWaalsContact O-N 3.13Å
143L97.7Very high96.2Very high22 Ų2250.6 Ų50.612%0.11527%0.273CS..  trans-65.5113.1-176.3-179.461000110.4N139 S141 P158 L187 L190N139-L143 PolarHBondContact ND2-N 3.36Å; N139-L143 VanDerWaalsContact ND2-N 3.2Å; N139-L143 PolarHBondContact ND2-O 2.66Å; N139-L143 PolarHBondContact OD1-N 2.88Å; S141-L143 PolarHBondContact O-N 3.02Å; S141-L143 WeakPolarHBondContact OG-CB 3.07Å; L143-P158 HydrophobicContact CB-CG 4.22Å; L143-P158 HydrophobicContact CD2-CG 4.08Å; L143-P158 HydrophobicContact CG-CG 4.31Å; L143-P158 WeakPolarHBondContact O-CD 3.49Å; L143-L187 HydrophobicContact CD2-CB 3.63Å; L143-L187 WeakPolarHBondContact CD2-O 3.43Å; L143-L190 HydrophobicContact CD1-CB 4.22Å; L143-L190 HydrophobicContact CD1-CD1 4.49Å; L143-L190 HydrophobicContact CD1-CG 4.23Å; L143-L190 HydrophobicContact CD2-CD1 4.28Å; L143-L190 HydrophobicContact CD2-CG 4.16Å; L143-L190 HydrophobicContact CG-CD1 4.01Å; L143-L190 HydrophobicContact CG-CG 4.14Å
144C98.3Very high96.2Very high11 Ų1151.3 Ų51.37%0.07428%0.275CS..  trans-154.8152.6170.561.60000110L119 G142 L155 A156L119-C144 HydrophobicContact CD2-CB 4.11Å; G142-C144 PolarHBondContact O-N 2.82Å; G142-C144 VanDerWaalsContact O-N 3.13Å; C144-L155 HydrophobicContact CB-CD1 4.29Å; C144-A156 CarbonylContact C-O 3.51Å; C144-A156 VanDerWaalsContact CA-O 3.31Å; C144-A156 WeakPolarHBondContact CA-O 3.32Å
145A98.5Very high96.3Very high8 Ų842.8 Ų42.87%0.06624%0.242CC..EExtended strand (participates in β ladder)trans-128.7136.9174.300000109.5L155 A156 L190 F192A145-L155 WeakPolarHBondContact O-CA 3.21Å; A145-L155 WeakPolarHBondContact O-CD1 3.07Å; A145-A156 PolarHBondContact N-O 2.86Å; A145-A156 PolarHBondContact O-N 2.83Å; A145-L190 HydrophobicContact CB-CB 3.93Å; A145-F192 HydrophobicContact CB-CD2 3.81Å; A145-F192 HydrophobicContact CB-CE2 4.13Å; A145-F192 WeakPolarHBondContact O-CE2 3.45Å
146L98.7Very high96.6Very high19 Ų1934 Ų3410%0.09920%0.202CC..EExtended strand (participates in β ladder)trans-116.2128175.9178.267.8000108.4K105 N107 I112 L155 T171K105-L146 HydrophobicContact CB-CB 3.88Å; K105-L146 HydrophobicContact CB-CD2 4.22Å; N107-L146 HydrophobicContact CB-CD2 3.92Å; N107-L146 HydrophobicContact CB-CG 4.4Å; I112-L146 HydrophobicContact CD1-CD1 4.31Å; I112-L146 HydrophobicContact CG1-CB 4.48Å; I112-L146 HydrophobicContact CG1-CD1 3.9Å; I112-L146 HydrophobicContact CG1-CD2 3.8Å; I112-L146 HydrophobicContact CG1-CG 4.27Å; L146-L155 HydrophobicContact CD1-CB 4.46Å; L146-T171 HydrophobicContact CD1-CG2 4.27Å
147S98.3Very high96.7Very high0 Ų034.3 Ų34.30%020%0.201CC..  trans-62.6137.9172.21740000110.6N107 S149 N152 Y154 G196N107-S147 PolarHBondContact ND2-O 3.27Å; S147-S149 VanDerWaalsContact C-N 3.33Å; S147-S149 PolarHBondContact OG-N 3.01Å; S147-N152 WeakPolarHBondContact CB-O 3.4Å; S147-N152 PolarHBondContact OG-O 3.03Å; S147-Y154 WeakPolarHBondContact CB-O 3.46Å; S147-Y154 PolarHBondContact N-O 3.16Å; S147-G196 VanDerWaalsContact OG-CA 3.27Å; S147-G196 WeakPolarHBondContact OG-CA 3.35Å
148I97.4Very high96.8Very high40 Ų4033.1 Ų33.121%0.20519%0.194CC..  trans-86.3-11.6177.970.2171.7000112.1Q22 F65 A194 M240Q22-I148 HydrophobicContact CB-CB 4.45Å; Q22-I148 HydrophobicContact CB-CG2 3.74Å; Q22-I148 HydrophobicContact CG-CG2 3.84Å; Q22-I148 WeakPolarHBondContact O-CD1 3.34Å; F65-I148 HydrophobicContact CZ-CB 4.13Å; I148-A194 HydrophobicContact CD1-CB 3.88Å; I148-A194 HydrophobicContact CG1-CB 4.38Å; I148-A194 WeakPolarHBondContact CG1-O 3.47Å; I148-M240 HydrophobicContact CD1-SD 4.38Å
149S96.3Very high96.8Very high19 Ų1931.3 Ų31.313%0.13319%0.186CC..  trans-70.7136.7178.2-179.30000111.1S147 D151 N152 S195S147-S149 VanDerWaalsContact C-N 3.33Å; S147-S149 PolarHBondContact OG-N 3.01Å; S149-D151 PolarHBondContact OG-N 3.19Å; S149-N152 PolarHBondContact OG-N 3.11Å; S149-S195 VanDerWaalsContact CB-O 3.3Å; S149-S195 WeakPolarHBondContact CB-O 3.31Å; S149-S195 PolarHBondContact OG-O 2.91Å
150N92.3Very high96.8Very high68 Ų6832 Ų3236%0.36419%0.191SC..SBendtrans-76.1-30.1176-71.5-24.1000112.4Q109Q109-N150 PolarHBondContact NE2-O 2.81Å
151D91.6Very high96.9Very high146 Ų14629.9 Ų29.978%0.78118%0.182SC*.SBendtrans-85.5-44.5-176.7-57.1-28.6000109.8S149 C153S149-D151 PolarHBondContact OG-N 3.19Å; D151-C153 PolarHBondContact O-N 3.49Å
152N95.6Very high97.1Very high48 Ų4830.9 Ų30.926%0.25718%0.184SC..SBendtrans-103.664.7178.1-64-38.4000110.5S147 S149 Y154 S195 T197S147-N152 WeakPolarHBondContact CB-O 3.4Å; S147-N152 PolarHBondContact OG-O 3.03Å; S149-N152 PolarHBondContact OG-N 3.11Å; N152-Y154 VanDerWaalsContact C-N 3.35Å; N152-Y154 HydrophobicContact CB-CD2 4.02Å; N152-Y154 HydrophobicContact CB-CE2 3.85Å; N152-Y154 PolarHBondContact O-N 3.36Å; N152-Y154 VanDerWaalsContact O-N 3.08Å; N152-S195 WeakPolarHBondContact CB-O 3.38Å; N152-S195 PolarHBondContact ND2-O 2.88Å; N152-T197 WeakPolarHBondContact ND2-CG2 3.48Å
153C96.9Very high97.1Very high2 Ų233.9 Ų33.91%0.01420%0.198CC..  trans-87.772.8-172.6-165.30000111.1N107 Q109 D151 T171 V172N107-C153 PolarHBondContact ND2-SG 3.32Å; Q109-C153 PolarHBondContact OE1-SG 3.42Å; Q109-C153 VanDerWaalsContact OE1-SG 3.32Å; D151-C153 PolarHBondContact O-N 3.49Å; C153-T171 WeakPolarHBondContact O-CB 3.45Å; C153-T171 PolarHBondContact O-N 3.46Å; C153-T171 PolarHBondContact O-OG1 3.24Å; C153-T171 PolarHBondContact SG-OG1 3.1Å; C153-V172 HydrophobicContact CB-CG2 3.68Å
154Y98.6Very high97.1Very high29 Ų2932.8 Ų32.811%0.11419%0.193CC..EExtended strand (participates in β ladder)trans-99.7149.9-179.4-61.8-72.9000113.1S147 N152 V168 F169 D170 A177 I214 P215S147-Y154 WeakPolarHBondContact CB-O 3.46Å; S147-Y154 PolarHBondContact N-O 3.16Å; N152-Y154 VanDerWaalsContact C-N 3.35Å; N152-Y154 HydrophobicContact CB-CD2 4.02Å; N152-Y154 HydrophobicContact CB-CE2 3.85Å; N152-Y154 PolarHBondContact O-N 3.36Å; N152-Y154 VanDerWaalsContact O-N 3.08Å; Y154-V168 HydrophobicContact CD1-CG1 4.03Å; Y154-V168 HydrophobicContact CG-CG1 4.24Å; Y154-F169 CarbonylContact C-O 3.54Å; Y154-F169 WeakPolarHBondContact CA-O 3.45Å; Y154-D170 HydrophobicContact CD1-CB 4.2Å; Y154-D170 HydrophobicContact CE1-CB 3.99Å; Y154-A177 HydrophobicContact CD1-CB 4.4Å; Y154-A177 HydrophobicContact CE1-CB 4.12Å; Y154-I214 HydrophobicContact CD2-CG2 3.5Å; Y154-I214 VanDerWaalsContact CD2-CG2 3.5Å; Y154-I214 HydrophobicContact CE2-CG2 3.91Å; Y154-I214 HydrophobicContact CG-CG2 3.9Å; Y154-P215 HydrophobicContact CE1-CB 4.21Å
155L98.8Very high97.1Very high0 Ų034.6 Ų34.60%020%0.2CC..EExtended strand (participates in β ladder)trans-113.5131.2170.5170.764.6000108.5I112 L119 I121 I133 C144 A145 L146 Y157 V168 F169 T171I112-L155 HydrophobicContact CD1-CD2 4.24Å; I112-L155 HydrophobicContact CG1-CD1 4.37Å; I112-L155 HydrophobicContact CG2-CD1 4.06Å; I112-L155 HydrophobicContact CG2-CD2 4.24Å; L119-L155 HydrophobicContact CD2-CD1 4.33Å; L119-L155 HydrophobicContact CD2-CD2 4.05Å; I121-L155 HydrophobicContact CD1-CD2 4.3Å; I121-L155 HydrophobicContact CG1-CD2 4.49Å; I133-L155 HydrophobicContact CD1-CD2 4.24Å; C144-L155 HydrophobicContact CB-CD1 4.29Å; A145-L155 WeakPolarHBondContact O-CA 3.21Å; A145-L155 WeakPolarHBondContact O-CD1 3.07Å; L146-L155 HydrophobicContact CD1-CB 4.46Å; L155-Y157 HydrophobicContact CD2-CD1 4.46Å; L155-Y157 HydrophobicContact CG-CD1 4.19Å; L155-V168 WeakPolarHBondContact O-CA 3.19Å; L155-F169 HydrophobicContact CB-CB 4.39Å; L155-F169 PolarHBondContact N-O 2.8Å; L155-F169 PolarHBondContact O-N 3.24Å; L155-T171 HydrophobicContact CB-CG2 3.5Å
156A98.8Very high97.1Very high0 Ų034.2 Ų34.20%020%0.197CC..EExtended strand (participates in β ladder)trans-116.1133.9174.500000110.2C144 A145 V166 Q167 L190 F192 L199C144-A156 CarbonylContact C-O 3.51Å; C144-A156 VanDerWaalsContact CA-O 3.31Å; C144-A156 WeakPolarHBondContact CA-O 3.32Å; A145-A156 PolarHBondContact N-O 2.86Å; A145-A156 PolarHBondContact O-N 2.83Å; A156-V166 HydrophobicContact CB-CG1 3.88Å; A156-Q167 WeakPolarHBondContact CA-O 3.32Å; A156-L190 HydrophobicContact CB-CD1 4.38Å; A156-F192 HydrophobicContact CB-CE2 3.53Å; A156-F192 HydrophobicContact CB-CZ 3.63Å; A156-L199 HydrophobicContact CB-CD1 3.88Å; A156-L199 HydrophobicContact CB-CD2 3.93Å
157Y98.7Very high97.1Very high18 Ų1835.3 Ų35.37%0.07120%0.202CC..EExtended strand (participates in β ladder)trans-149161.6177.561-84.8000110.7L119 I133 T136 L155 G159 Q167 F169L119-Y157 HydrophobicContact CD1-CD2 4.08Å; L119-Y157 HydrophobicContact CD1-CE2 4.43Å; L119-Y157 HydrophobicContact CD1-CG 4.12Å; L119-Y157 HydrophobicContact CD2-CG 4.44Å; I133-Y157 HydrophobicContact CD1-CE1 3.79Å; I133-Y157 WeakPolarHBondContact CG2-OH 3.47Å; T136-Y157 HydrophobicContact CG2-CD2 4.3Å; T136-Y157 HydrophobicContact CG2-CE2 3.8Å; L155-Y157 HydrophobicContact CD2-CD1 4.46Å; L155-Y157 HydrophobicContact CG-CD1 4.19Å; Y157-G159 PolarHBondContact O-N 3.22Å; Y157-Q167 HydrophobicContact CD1-CB 4.26Å; Y157-Q167 HydrophobicContact CD2-CB 4.05Å; Y157-Q167 HydrophobicContact CE1-CB 3.89Å; Y157-Q167 HydrophobicContact CE1-CG 3.91Å; Y157-Q167 HydrophobicContact CE2-CB 3.64Å; Y157-Q167 HydrophobicContact CE2-CG 3.93Å; Y157-Q167 HydrophobicContact CG-CB 4.35Å; Y157-Q167 VanDerWaalsContact CZ-CG 3.44Å; Y157-Q167 PolarHBondContact N-O 3.27Å; Y157-Q167 VanDerWaalsContact N-O 3.1Å; Y157-Q167 PolarHBondContact O-N 2.75Å; Y157-Q167 VanDerWaalsContact OH-CG 3.28Å; Y157-Q167 WeakPolarHBondContact OH-CG 3.27Å; Y157-F169 HydrophobicContact CE1-CB 4.04Å
158P98.4Very high97.1Very high13 Ų1335.3 Ų35.38%0.08420%0.202CC..EExtended strand (participates in β ladder)trans-60.5128.5177.2-24.634.6000113L143 E165 L187L143-P158 HydrophobicContact CB-CG 4.22Å; L143-P158 HydrophobicContact CD2-CG 4.08Å; L143-P158 HydrophobicContact CG-CG 4.31Å; L143-P158 WeakPolarHBondContact O-CD 3.49Å; P158-E165 CarbonylContact C-O 3.48Å; P158-E165 WeakPolarHBondContact CA-O 3.35Å; P158-L187 HydrophobicContact CB-CD1 4.18Å; P158-L187 HydrophobicContact CG-CD1 4.21Å
159G97.5Very high97.1Very high22 Ų2234 Ų3423%0.22719%0.194CC..SBendtrans-89.8-9.4173.300000113.7P137 Y157 E165P137-G159 VanDerWaalsContact CG-C 3.44Å; P137-G159 WeakPolarHBondContact CG-O 3.44Å; Y157-G159 PolarHBondContact O-N 3.22Å; G159-E165 PolarHBondContact N-O 3.41Å
160S97.4Very high97.2Very high21 Ų2133.8 Ų33.815%0.14719%0.192CC..  trans-149.1151.2175.4175.30000111.1T162 I163S160-T162 PolarHBondContact OG-N 3.05Å; S160-T162 PolarHBondContact OG-OG1 2.89Å; S160-I163 WeakPolarHBondContact OG-CG1 3.19Å; S160-I163 PolarHBondContact OG-N 3.02Å
161A95.7Very high97.5Very high50 Ų5030.6 Ų30.641%0.41318%0.175SC..SBendtrans-87.3-16174.200000113.2P137 P186P137-A161 HydrophobicContact CB-CB 4.4Å; A161-P186 WeakPolarHBondContact O-CG 3.43Å
162T96.4Very high97.7Very high107 Ų10726.5 Ų26.566%0.65616%0.155SC*.SBendtrans-113.2-23.8-172.7570000113.5S160 P186S160-T162 PolarHBondContact OG-N 3.05Å; S160-T162 PolarHBondContact OG-OG1 2.89Å; T162-P186 WeakPolarHBondContact O-CD 3.49Å
163I97.1Very high97.8Very high68 Ų6829 Ų2935%0.34917%0.168SC..SBendtrans-130162.4177.257.8168.9000110.5S160 E165S160-I163 WeakPolarHBondContact OG-CG1 3.19Å; S160-I163 PolarHBondContact OG-N 3.02Å; I163-E165 HydrophobicContact CD1-CG 3.78Å; I163-E165 WeakPolarHBondContact CD1-OE1 3.28Å; I163-E165 HydrophobicContact CG1-CG 4Å; I163-E165 PolarHBondContact O-N 3.18Å
164G97.1Very high97.8Very high0 Ų031.5 Ų31.50%018%0.181CC..EExtended strand (participates in β ladder)trans-85.559.6-172.700000112.6A182 H183 S185G164-A182 CarbonylContact O-C 3.55Å; G164-A182 WeakPolarHBondContact O-CA 3.28Å; G164-A182 VanDerWaalsContact O-CB 3.32Å; G164-A182 WeakPolarHBondContact O-CB 3.45Å; G164-A182 PolarHBondContact O-N 3.1Å; G164-H183 WeakPolarHBondContact CA-O 3.42Å; G164-H183 PolarHBondContact N-O 3.25Å; G164-H183 PolarHBondContact O-N 3.01Å; G164-S185 WeakPolarHBondContact CA-O 3.48Å; G164-S185 PolarHBondContact N-O 2.78Å
165E98.2Very high97.7Very high49 Ų4937.8 Ų37.823%0.22921%0.205CC..EExtended strand (participates in β ladder)trans-87.9136.6173-72-179.6163.800110.4P158 G159 I163 M179 I180 L187P158-E165 CarbonylContact C-O 3.48Å; P158-E165 WeakPolarHBondContact CA-O 3.35Å; G159-E165 PolarHBondContact N-O 3.41Å; I163-E165 HydrophobicContact CD1-CG 3.78Å; I163-E165 WeakPolarHBondContact CD1-OE1 3.28Å; I163-E165 HydrophobicContact CG1-CG 4Å; I163-E165 PolarHBondContact O-N 3.18Å; E165-M179 HydrophobicContact CB-SD 4.17Å; E165-M179 HydrophobicContact CG-SD 3.99Å; E165-I180 WeakPolarHBondContact CA-O 3.35Å; E165-L187 VanDerWaalsContact O-CD1 3.25Å; E165-L187 WeakPolarHBondContact O-CD1 3.46Å
166V98.7Very high97.7Very high0 Ų040.7 Ų40.70%023%0.229CC..EExtended strand (participates in β ladder)trans-111.5123.3174.6-173.30000109.1A156 V168 M179 I180 A182 L187 L190 L199 T201A156-V166 HydrophobicContact CB-CG1 3.88Å; V166-V168 HydrophobicContact CG1-CG2 4.38Å; V166-M179 CarbonylContact O-C 3.57Å; V166-M179 WeakPolarHBondContact O-CA 3.34Å; V166-I180 HydrophobicContact CB-CB 4.28Å; V166-I180 PolarHBondContact N-O 3.45Å; V166-I180 PolarHBondContact O-N 3.04Å; V166-A182 HydrophobicContact CG2-CB 3.94Å; V166-L187 HydrophobicContact CB-CD1 4.49Å; V166-L187 HydrophobicContact CG2-CD1 3.65Å; V166-L187 HydrophobicContact CG2-CD2 4.18Å; V166-L190 HydrophobicContact CG1-CD2 4.36Å; V166-L190 HydrophobicContact CG2-CD2 3.93Å; V166-L199 HydrophobicContact CG1-CD2 3.72Å; V166-L199 HydrophobicContact CG2-CD2 4.49Å; V166-T201 HydrophobicContact CG2-CG2 3.98Å
167Q98.5Very high97.6Very high42 Ų4242.8 Ų42.820%0.19625%0.246CC..EExtended strand (participates in β ladder)trans-87.2125.5166.7-162.665.613.400109.7A156 Y157A156-Q167 WeakPolarHBondContact CA-O 3.32Å; Y157-Q167 HydrophobicContact CD1-CB 4.26Å; Y157-Q167 HydrophobicContact CD2-CB 4.05Å; Y157-Q167 HydrophobicContact CE1-CB 3.89Å; Y157-Q167 HydrophobicContact CE1-CG 3.91Å; Y157-Q167 HydrophobicContact CE2-CB 3.64Å; Y157-Q167 HydrophobicContact CE2-CG 3.93Å; Y157-Q167 HydrophobicContact CG-CB 4.35Å; Y157-Q167 VanDerWaalsContact CZ-CG 3.44Å; Y157-Q167 PolarHBondContact N-O 3.27Å; Y157-Q167 VanDerWaalsContact N-O 3.1Å; Y157-Q167 PolarHBondContact O-N 2.75Å; Y157-Q167 VanDerWaalsContact OH-CG 3.28Å; Y157-Q167 WeakPolarHBondContact OH-CG 3.27Å
168V98.7Very high97.6Very high0 Ų044.4 Ų44.40%026%0.256CS..EExtended strand (participates in β ladder)trans-105.1121.8174.4-175.70000108.4Y154 L155 V166 A177 N178 I180 I214Y154-V168 HydrophobicContact CD1-CG1 4.03Å; Y154-V168 HydrophobicContact CG-CG1 4.24Å; L155-V168 WeakPolarHBondContact O-CA 3.19Å; V166-V168 HydrophobicContact CG1-CG2 4.38Å; V168-A177 HydrophobicContact CG1-CB 4.28Å; V168-A177 PolarHBondContact O-N 3.02Å; V168-N178 HydrophobicContact CB-CB 4.38Å; V168-N178 PolarHBondContact N-O 2.86Å; V168-N178 PolarHBondContact O-N 3.46Å; V168-I180 HydrophobicContact CG2-CD1 3.83Å; V168-I180 HydrophobicContact CG2-CG1 4.3Å; V168-I214 HydrophobicContact CG1-CD1 4.45Å; V168-I214 HydrophobicContact CG1-CG2 4.21Å; V168-I214 HydrophobicContact CG2-CD1 3.91Å
169F98.7Very high97.6Very high11 Ų1147.5 Ų47.55%0.04827%0.27CS..EExtended strand (participates in β ladder)trans-120128.7-176-171.3-84.6000110.6I121 H131 I133 Y154 L155 Y157 T171 L174I121-F169 HydrophobicContact CD1-CD1 3.75Å; I121-F169 HydrophobicContact CD1-CE1 3.36Å; I121-F169 HydrophobicContact CD1-CZ 4.16Å; H131-F169 AromaticContact CD2-CZ 3.59Å; H131-F169 AromaticContact NE2-CZ 3.77Å; I133-F169 HydrophobicContact CD1-CB 4.29Å; I133-F169 HydrophobicContact CD1-CD1 4.07Å; I133-F169 HydrophobicContact CD1-CD2 3.61Å; I133-F169 HydrophobicContact CD1-CE1 4.28Å; I133-F169 HydrophobicContact CD1-CE2 3.85Å; I133-F169 HydrophobicContact CD1-CG 3.73Å; I133-F169 HydrophobicContact CD1-CZ 4.18Å; I133-F169 HydrophobicContact CG1-CD2 4.32Å; I133-F169 HydrophobicContact CG1-CE2 4.07Å; I133-F169 HydrophobicContact CG1-CZ 4.27Å; Y154-F169 CarbonylContact C-O 3.54Å; Y154-F169 WeakPolarHBondContact CA-O 3.45Å; L155-F169 HydrophobicContact CB-CB 4.39Å; L155-F169 PolarHBondContact N-O 2.8Å; L155-F169 PolarHBondContact O-N 3.24Å; Y157-F169 HydrophobicContact CE1-CB 4.04Å; F169-T171 HydrophobicContact CD1-CG2 4.25Å; F169-T171 PolarHBondContact O-N 3.11Å; F169-L174 HydrophobicContact CE1-CD2 4.44Å; F169-L174 HydrophobicContact CZ-CB 4.48Å
170D98.2Very high97.6Very high16 Ų1646.7 Ų46.79%0.08626%0.261CS..EExtended strand (participates in β ladder)trans-78.6110.7174.6-179.5-19.4000109.1Y154 V172 N173 L174 R175 A177Y154-D170 HydrophobicContact CD1-CB 4.2Å; Y154-D170 HydrophobicContact CE1-CB 3.99Å; D170-V172 VanDerWaalsContact C-N 3.32Å; D170-V172 WeakPolarHBondContact OD1-CA 3.31Å; D170-V172 WeakPolarHBondContact OD1-CB 3.25Å; D170-V172 PolarHBondContact OD1-N 3.44Å; D170-N173 PolarHBondContact OD1-N 3.25Å; D170-N173 WeakPolarHBondContact OD2-CB 3.5Å; D170-N173 PolarHBondContact OD2-ND2 2.83Å; D170-L174 WeakPolarHBondContact O-CA 3.22Å; D170-L174 PolarHBondContact O-N 3.22Å; D170-R175 HydrophobicContact CB-CG 4.41Å; D170-R175 WeakPolarHBondContact CB-O 3.42Å; D170-R175 PolarHBondContact N-O 2.86Å; D170-R175 PolarHBondContact O-N 3.43Å; D170-A177 HydrophobicContact CB-CB 4.41Å
171T97.9Very high97.7Very high0 Ų050.3 Ų50.30%028%0.284CS..THydrogen-bonded Turntrans-84-8.9-176.8720000113.2R110 I121 L146 C153 L155 F169 L174R110-T171 VanDerWaalsContact CZ-O 3.25Å; R110-T171 PolarHBondContact NE-O 3.4Å; R110-T171 PolarHBondContact NH2-O 2.86Å; I121-T171 HydrophobicContact CD1-CG2 4.4Å; L146-T171 HydrophobicContact CD1-CG2 4.27Å; C153-T171 WeakPolarHBondContact O-CB 3.45Å; C153-T171 PolarHBondContact O-N 3.46Å; C153-T171 PolarHBondContact O-OG1 3.24Å; C153-T171 PolarHBondContact SG-OG1 3.1Å; L155-T171 HydrophobicContact CB-CG2 3.5Å; F169-T171 HydrophobicContact CD1-CG2 4.25Å; F169-T171 PolarHBondContact O-N 3.11Å; T171-L174 VanDerWaalsContact O-CD2 3.32Å; T171-L174 WeakPolarHBondContact O-CD2 3.44Å
172V96.4Very high97.8Very high61 Ų6148 Ų4837%0.3727%0.265SS..THydrogen-bonded Turntrans-83.3-53.5173.8170.90000109.5C153 D170C153-V172 HydrophobicContact CB-CG2 3.68Å; D170-V172 VanDerWaalsContact C-N 3.32Å; D170-V172 WeakPolarHBondContact OD1-CA 3.31Å; D170-V172 WeakPolarHBondContact OD1-CB 3.25Å; D170-V172 PolarHBondContact OD1-N 3.44Å
173N96.6Very high97.8Very high100 Ų10043.4 Ų43.454%0.53524%0.236SC..THydrogen-bonded Turntrans-88.3-4-179.3-61.7-59000113.7D170 R175D170-N173 PolarHBondContact OD1-N 3.25Å; D170-N173 WeakPolarHBondContact OD2-CB 3.5Å; D170-N173 PolarHBondContact OD2-ND2 2.83Å; N173-R175 HydrophobicContact CB-CG 4.23Å; N173-R175 PolarHBondContact O-N 3.25Å
174L97.8Very high97.8Very high54 Ų5446.7 Ų46.728%0.28325%0.254SS..THydrogen-bonded Turntrans56.547.6176.3-55.1174.8000113.3I121 L130 H131 F169 D170 T171I121-L174 HydrophobicContact CD1-CD2 4.49Å; I121-L174 HydrophobicContact CG2-CD2 4.27Å; L130-L174 HydrophobicContact CB-CD1 4.26Å; H131-L174 HydrophobicContact CB-CD1 4.23Å; H131-L174 HydrophobicContact CB-CD2 3.9Å; H131-L174 HydrophobicContact CB-CG 4.45Å; F169-L174 HydrophobicContact CE1-CD2 4.44Å; F169-L174 HydrophobicContact CZ-CB 4.48Å; D170-L174 WeakPolarHBondContact O-CA 3.22Å; D170-L174 PolarHBondContact O-N 3.22Å; T171-L174 VanDerWaalsContact O-CD2 3.32Å; T171-L174 WeakPolarHBondContact O-CD2 3.44Å
175R97.1Very high97.8Very high162 Ų16247.2 Ų47.261%0.61126%0.258SS*.EExtended strand (participates in β ladder)trans-142.2154.8179.365.1-178.8-179.2176.31.1112.2D170 N173 A177D170-R175 HydrophobicContact CB-CG 4.41Å; D170-R175 WeakPolarHBondContact CB-O 3.42Å; D170-R175 PolarHBondContact N-O 2.86Å; D170-R175 PolarHBondContact O-N 3.43Å; N173-R175 HydrophobicContact CB-CG 4.23Å; N173-R175 PolarHBondContact O-N 3.25Å; R175-A177 PolarHBondContact O-N 3.16Å
176A97.3Very high97.7Very high60 Ų6046.2 Ų46.250%0.49626%0.255SS..EExtended strand (participates in β ladder)trans-61.2130.6169.100000110
177A97.7Very high97.7Very high45 Ų4546.7 Ų46.737%0.37226%0.258SS..EExtended strand (participates in β ladder)trans-99.9-47.7-179.300000111.5Y154 V168 D170 R175 P215Y154-A177 HydrophobicContact CD1-CB 4.4Å; Y154-A177 HydrophobicContact CE1-CB 4.12Å; V168-A177 HydrophobicContact CG1-CB 4.28Å; V168-A177 PolarHBondContact O-N 3.02Å; D170-A177 HydrophobicContact CB-CB 4.41Å; R175-A177 PolarHBondContact O-N 3.16Å; A177-P215 HydrophobicContact CB-CB 4.4Å
178N97.9Very high97.6Very high52 Ų5246.1 Ų46.128%0.27826%0.26SS..EExtended strand (participates in β ladder)trans-158.9161.8-179.1-159.11.6000111.6V168 P215 E216 G217V168-N178 HydrophobicContact CB-CB 4.38Å; V168-N178 PolarHBondContact N-O 2.86Å; V168-N178 PolarHBondContact O-N 3.46Å; N178-P215 VanDerWaalsContact CB-O 3.28Å; N178-P215 WeakPolarHBondContact CB-O 3.5Å; N178-P215 PolarHBondContact ND2-O 3.07Å; N178-E216 PolarHBondContact ND2-O 2.76Å; N178-G217 PolarHBondContact ND2-N 3.42Å
179M98Very high97.6Very high78 Ų7846.4 Ų46.438%0.38426%0.263SS..EExtended strand (participates in β ladder)trans-122.7124.6167.5-175-78-77.300108.5E165 V166E165-M179 HydrophobicContact CB-SD 4.17Å; E165-M179 HydrophobicContact CG-SD 3.99Å; V166-M179 CarbonylContact O-C 3.57Å; V166-M179 WeakPolarHBondContact O-CA 3.34Å
180I98.7Very high97.6Very high4 Ų446.8 Ų46.82%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-110.4115-175.8-55.1173.4000109.1E165 V166 V168 A182 F212 I214E165-I180 WeakPolarHBondContact CA-O 3.35Å; V166-I180 HydrophobicContact CB-CB 4.28Å; V166-I180 PolarHBondContact N-O 3.45Å; V166-I180 PolarHBondContact O-N 3.04Å; V168-I180 HydrophobicContact CG2-CD1 3.83Å; V168-I180 HydrophobicContact CG2-CG1 4.3Å; I180-A182 VanDerWaalsContact C-N 3.3Å; I180-A182 HydrophobicContact CG2-CB 4.33Å; I180-A182 PolarHBondContact O-N 2.8Å; I180-F212 HydrophobicContact CD1-CB 4.18Å; I180-F212 HydrophobicContact CG2-CD1 3.58Å; I180-F212 HydrophobicContact CG2-CD2 4.25Å; I180-F212 HydrophobicContact CG2-CE1 3.63Å; I180-F212 HydrophobicContact CG2-CE2 4.28Å; I180-F212 HydrophobicContact CG2-CG 3.91Å; I180-F212 HydrophobicContact CG2-CZ 4Å; I180-I214 HydrophobicContact CD1-CD1 3.76Å
181P98.2Very high97.6Very high97 Ų9746.6 Ų46.663%0.6327%0.266SS*.EExtended strand (participates in β ladder)trans-75.583.2171.830.8-33.6000109.6
182A97.9Very high97.6Very high2 Ų247.7 Ų47.72%0.01727%0.271CS..EExtended strand (participates in β ladder)trans-81.3-37-168.300000113.4G164 V166 I180 L187 T201 R210 F212G164-A182 CarbonylContact O-C 3.55Å; G164-A182 WeakPolarHBondContact O-CA 3.28Å; G164-A182 VanDerWaalsContact O-CB 3.32Å; G164-A182 WeakPolarHBondContact O-CB 3.45Å; G164-A182 PolarHBondContact O-N 3.1Å; V166-A182 HydrophobicContact CG2-CB 3.94Å; I180-A182 VanDerWaalsContact C-N 3.3Å; I180-A182 HydrophobicContact CG2-CB 4.33Å; I180-A182 PolarHBondContact O-N 2.8Å; A182-L187 HydrophobicContact CB-CD2 4.45Å; A182-T201 HydrophobicContact CB-CG2 4.31Å; A182-R210 VanDerWaalsContact O-CD 3.29Å; A182-R210 WeakPolarHBondContact O-CD 3.39Å; A182-R210 PolarHBondContact O-NH1 3.33Å; A182-F212 HydrophobicContact CB-CE2 3.7Å; A182-F212 HydrophobicContact CB-CZ 3.81Å
183H97.8Very high97.7Very high10 Ų1045 Ų455%0.04625%0.254CS..EExtended strand (participates in β ladder)trans-150.8159.8-177.3-55.7-91.5000113.3G164 S185 T201 R210G164-H183 WeakPolarHBondContact CA-O 3.42Å; G164-H183 PolarHBondContact N-O 3.25Å; G164-H183 PolarHBondContact O-N 3.01Å; H183-S185 PolarHBondContact O-N 2.88Å; H183-T201 PolarHBondContact NE2-OG1 3.47Å; H183-R210 PolarHBondContact ND1-NH1 2.84Å
184D96.6Very high97.7Very high137 Ų13741.5 Ų41.573%0.73324%0.24SC*.SBendtrans-87.318.6176.2-46.4-55000113.4
185S96.4Very high97.7Very high12 Ų1241.2 Ų41.28%0.08424%0.242CC..SBendtrans-151.3151.9-176-174.80000107.9G164 H183G164-S185 WeakPolarHBondContact CA-O 3.48Å; G164-S185 PolarHBondContact N-O 2.78Å; H183-S185 PolarHBondContact O-N 2.88Å
186P97.5Very high97.7Very high27 Ų2733.5 Ų33.518%0.17521%0.213CC..  trans-53.4150.5-176.8-2635.2000112.5A161 T162 S203 E204A161-P186 WeakPolarHBondContact O-CG 3.43Å; T162-P186 WeakPolarHBondContact O-CD 3.49Å; P186-S203 CarbonylContact O-C 3.59Å; P186-S203 WeakPolarHBondContact O-CA 3.06Å; P186-S203 WeakPolarHBondContact O-CB 3.19Å; P186-E204 HydrophobicContact CB-CG 4.29Å; P186-E204 PolarHBondContact O-N 3.41Å
187L98Very high97.7Very high10 Ų1033 Ų335%0.05220%0.203CC..EExtended strand (participates in β ladder)trans-73.2135.3-179.1-63.9168.7000110.7L143 P158 E165 V166 A182 L190L143-L187 HydrophobicContact CD2-CB 3.63Å; L143-L187 WeakPolarHBondContact CD2-O 3.43Å; P158-L187 HydrophobicContact CB-CD1 4.18Å; P158-L187 HydrophobicContact CG-CD1 4.21Å; E165-L187 VanDerWaalsContact O-CD1 3.25Å; E165-L187 WeakPolarHBondContact O-CD1 3.46Å; V166-L187 HydrophobicContact CB-CD1 4.49Å; V166-L187 HydrophobicContact CG2-CD1 3.65Å; V166-L187 HydrophobicContact CG2-CD2 4.18Å; A182-L187 HydrophobicContact CB-CD2 4.45Å; L187-L190 HydrophobicContact CD1-CD1 4.38Å; L187-L190 HydrophobicContact CD1-CD2 4.17Å
188A96.8Very high97.7Very high30 Ų3032.8 Ų32.825%0.24819%0.194CC..EExtended strand (participates in β ladder)trans-103.8-3117300000112.7A202 E204A188-A202 PolarHBondContact N-O 2.84Å; A188-E204 HydrophobicContact CB-CG 4.14Å
189A97.8Very high97.8Very high7 Ų730.3 Ų30.36%0.05818%0.181CC..EExtended strand (participates in β ladder)trans-150145.3-176.900000112.5T201 A202 I233 L236A189-T201 WeakPolarHBondContact O-CA 3Å; A189-A202 PolarHBondContact N-O 3.12Å; A189-A202 PolarHBondContact O-N 2.97Å; A189-I233 HydrophobicContact CB-CG2 3.84Å; A189-L236 HydrophobicContact CB-CD1 3.74Å; A189-L236 HydrophobicContact CB-CG 3.8Å
190L98.3Very high97.8Very high19 Ų1926.6 Ų26.610%0.09916%0.163CC..EExtended strand (participates in β ladder)trans-137.8136.7177.2-67.2176.5000109.1L143 A145 A156 V166 L187 L199 A200 T201L143-L190 HydrophobicContact CD1-CB 4.22Å; L143-L190 HydrophobicContact CD1-CD1 4.49Å; L143-L190 HydrophobicContact CD1-CG 4.23Å; L143-L190 HydrophobicContact CD2-CD1 4.28Å; L143-L190 HydrophobicContact CD2-CG 4.16Å; L143-L190 HydrophobicContact CG-CD1 4.01Å; L143-L190 HydrophobicContact CG-CG 4.14Å; A145-L190 HydrophobicContact CB-CB 3.93Å; A156-L190 HydrophobicContact CB-CD1 4.38Å; V166-L190 HydrophobicContact CG1-CD2 4.36Å; V166-L190 HydrophobicContact CG2-CD2 3.93Å; L187-L190 HydrophobicContact CD1-CD1 4.38Å; L187-L190 HydrophobicContact CD1-CD2 4.17Å; L190-L199 HydrophobicContact CD2-CD2 4.38Å; L190-A200 WeakPolarHBondContact CA-O 3.27Å; L190-T201 HydrophobicContact CD2-CG2 3.66Å
191A98.6Very high97.8Very high12 Ų1226.4 Ų26.410%0.09916%0.162CC..EExtended strand (participates in β ladder)trans-150.1133.1173.200000110.9L199 A200 L236 F238A191-L199 CarbonylContact O-C 3.48Å; A191-L199 WeakPolarHBondContact O-CA 3.25Å; A191-L199 WeakPolarHBondContact O-CD1 3.32Å; A191-A200 PolarHBondContact N-O 2.8Å; A191-A200 PolarHBondContact O-N 2.84Å; A191-L236 HydrophobicContact CB-CB 3.89Å; A191-L236 WeakPolarHBondContact CB-O 3.3Å; A191-F238 HydrophobicContact CB-CD2 4.4Å; A191-F238 HydrophobicContact CB-CE2 4.49Å; A191-F238 WeakPolarHBondContact O-CE2 3.26Å
192F98.7Very high97.8Very high23 Ų2321.8 Ų21.810%0.10113%0.132CC..EExtended strand (participates in β ladder)trans-85.3152.6168.4-79.2-77.2000110.6A145 A156 K198 L199 I214 F238A145-F192 HydrophobicContact CB-CD2 3.81Å; A145-F192 HydrophobicContact CB-CE2 4.13Å; A145-F192 WeakPolarHBondContact O-CE2 3.45Å; A156-F192 HydrophobicContact CB-CE2 3.53Å; A156-F192 HydrophobicContact CB-CZ 3.63Å; F192-K198 WeakPolarHBondContact CA-O 3.18Å; F192-K198 WeakPolarHBondContact CD1-O 3.44Å; F192-L199 HydrophobicContact CD1-CB 4.29Å; F192-L199 HydrophobicContact CD1-CD1 3.89Å; F192-L199 HydrophobicContact CD2-CD1 3.93Å; F192-L199 HydrophobicContact CE1-CB 4.2Å; F192-L199 HydrophobicContact CE1-CD1 3.86Å; F192-L199 HydrophobicContact CE2-CD1 3.91Å; F192-L199 HydrophobicContact CG-CD1 3.93Å; F192-L199 HydrophobicContact CZ-CD1 3.88Å; F192-I214 HydrophobicContact CD1-CG1 4.47Å; F192-I214 HydrophobicContact CE1-CB 4.41Å; F192-I214 HydrophobicContact CE1-CD1 4.28Å; F192-I214 HydrophobicContact CE1-CG1 3.89Å; F192-I214 HydrophobicContact CE1-CG2 4.01Å; F192-F238 WeakPolarHBondContact O-CD2 3.44Å
193D98.1Very high97.7Very high4 Ų421.9 Ų21.92%0.02113%0.132CC..  trans-75.2165.1161.581.2-37000111.2S195 G196 T197 K198 F238D193-S195 VanDerWaalsContact CG-OG 3.28Å; D193-S195 PolarHBondContact O-N 3.13Å; D193-S195 PolarHBondContact OD1-OG 3.02Å; D193-S195 PolarHBondContact OD2-OG 3.43Å; D193-G196 PolarHBondContact O-N 3.1Å; D193-G196 PolarHBondContact OD1-N 2.96Å; D193-T197 PolarHBondContact OD1-N 2.71Å; D193-T197 PolarHBondContact OD2-OG1 3.11Å; D193-K198 HydrophobicContact CB-CB 4.14Å; D193-K198 PolarHBondContact N-O 2.9Å; D193-K198 PolarHBondContact OD1-N 2.89Å; D193-K198 IonicContact OD2-NZ 2.67Å; D193-K198 PolarHBondContact OD2-NZ 2.85Å; D193-F238 HydrophobicContact CB-CB 4.16Å; D193-F238 HydrophobicContact CB-CD1 3.79Å; D193-F238 HydrophobicContact CB-CD2 4.07Å; D193-F238 HydrophobicContact CB-CE1 4.11Å; D193-F238 HydrophobicContact CB-CE2 4.39Å; D193-F238 HydrophobicContact CB-CG 3.75Å; D193-F238 HydrophobicContact CB-CZ 4.41Å
194A96.9Very high97.5Very high27 Ų2727 Ų2722%0.22316%0.156CC..THydrogen-bonded Turntrans-60.4-30.3-176.500000113.4I148 G196 M240I148-A194 HydrophobicContact CD1-CB 3.88Å; I148-A194 HydrophobicContact CG1-CB 4.38Å; I148-A194 WeakPolarHBondContact CG1-O 3.47Å; A194-G196 VanDerWaalsContact C-N 3.33Å; A194-M240 VanDerWaalsContact CB-O 3.31Å; A194-M240 WeakPolarHBondContact CB-O 3.33Å; A194-M240 HydrophobicContact CB-SD 4.14Å
195S97Very high97.3Very high47 Ų4725.4 Ų25.433%0.32914%0.143SC..THydrogen-bonded Turntrans-79.6-14.1179.776.10000113.9S149 N152 D193 T197S149-S195 VanDerWaalsContact CB-O 3.3Å; S149-S195 WeakPolarHBondContact CB-O 3.31Å; S149-S195 PolarHBondContact OG-O 2.91Å; N152-S195 WeakPolarHBondContact CB-O 3.38Å; N152-S195 PolarHBondContact ND2-O 2.88Å; D193-S195 VanDerWaalsContact CG-OG 3.28Å; D193-S195 PolarHBondContact O-N 3.13Å; D193-S195 PolarHBondContact OD1-OG 3.02Å; D193-S195 PolarHBondContact OD2-OG 3.43Å; S195-T197 PolarHBondContact O-N 2.82Å; S195-T197 WeakPolarHBondContact OG-CB 3.24Å; S195-T197 WeakPolarHBondContact OG-CG2 3.23Å; S195-T197 PolarHBondContact OG-N 3.03Å; S195-T197 PolarHBondContact OG-OG1 2.81Å
196G97.4Very high97Very high0 Ų024.9 Ų24.90%014%0.139CC..SBendtrans71.813.8-175.100000114.3S147 D193 A194S147-G196 VanDerWaalsContact OG-CA 3.27Å; S147-G196 WeakPolarHBondContact OG-CA 3.35Å; D193-G196 PolarHBondContact O-N 3.1Å; D193-G196 PolarHBondContact OD1-N 2.96Å; A194-G196 VanDerWaalsContact C-N 3.33Å
197T97.5Very high96.6Very high49 Ų4926 Ų2630%0.30115%0.145SC..SBendtrans-96.8-13.5-178.163.70000112.8N152 D193 S195 S213 I214N152-T197 WeakPolarHBondContact ND2-CG2 3.48Å; D193-T197 PolarHBondContact OD1-N 2.71Å; D193-T197 PolarHBondContact OD2-OG1 3.11Å; S195-T197 PolarHBondContact O-N 2.82Å; S195-T197 WeakPolarHBondContact OG-CB 3.24Å; S195-T197 WeakPolarHBondContact OG-CG2 3.23Å; S195-T197 PolarHBondContact OG-N 3.03Å; S195-T197 PolarHBondContact OG-OG1 2.81Å; T197-S213 CarbonylContact O-C 3.53Å; T197-S213 WeakPolarHBondContact O-CA 3.37Å; T197-I214 PolarHBondContact O-N 2.69Å
198K98.3Very high96.3Very high41 Ų4126.1 Ų26.118%0.17815%0.147CC..EExtended strand (participates in β ladder)trans-130143.7179.1-57.2178.6-156.765.10111.3F192 D193 V211 F212 L220 F238F192-K198 WeakPolarHBondContact CA-O 3.18Å; F192-K198 WeakPolarHBondContact CD1-O 3.44Å; D193-K198 HydrophobicContact CB-CB 4.14Å; D193-K198 PolarHBondContact N-O 2.9Å; D193-K198 PolarHBondContact OD1-N 2.89Å; D193-K198 IonicContact OD2-NZ 2.67Å; D193-K198 PolarHBondContact OD2-NZ 2.85Å; K198-V211 HydrophobicContact CB-CG1 3.98Å; K198-V211 HydrophobicContact CD-CG1 4.35Å; K198-V211 HydrophobicContact CG-CG1 4.47Å; K198-F212 CarbonylContact C-O 3.56Å; K198-F212 WeakPolarHBondContact CA-O 3.35Å; K198-L220 HydrophobicContact CD-CD1 4.23Å; K198-L220 HydrophobicContact CG-CD1 3.98Å; K198-F238 HydrophobicContact CB-CE1 4.29Å; K198-F238 HydrophobicContact CB-CZ 4.16Å
199L98.8Very high96.3Very high0 Ų024.7 Ų24.70%014%0.135CC..EExtended strand (participates in β ladder)trans-125.8119.9172.4-17776.3000110A156 V166 L190 A191 F192 T201 V211 F212 I214A156-L199 HydrophobicContact CB-CD1 3.88Å; A156-L199 HydrophobicContact CB-CD2 3.93Å; V166-L199 HydrophobicContact CG1-CD2 3.72Å; V166-L199 HydrophobicContact CG2-CD2 4.49Å; L190-L199 HydrophobicContact CD2-CD2 4.38Å; A191-L199 CarbonylContact O-C 3.48Å; A191-L199 WeakPolarHBondContact O-CA 3.25Å; A191-L199 WeakPolarHBondContact O-CD1 3.32Å; F192-L199 HydrophobicContact CD1-CB 4.29Å; F192-L199 HydrophobicContact CD1-CD1 3.89Å; F192-L199 HydrophobicContact CD2-CD1 3.93Å; F192-L199 HydrophobicContact CE1-CB 4.2Å; F192-L199 HydrophobicContact CE1-CD1 3.86Å; F192-L199 HydrophobicContact CE2-CD1 3.91Å; F192-L199 HydrophobicContact CG-CD1 3.93Å; F192-L199 HydrophobicContact CZ-CD1 3.88Å; L199-T201 HydrophobicContact CD2-CG2 3.97Å; L199-T201 HydrophobicContact CG-CG2 4.07Å; L199-V211 CarbonylContact O-C 3.5Å; L199-V211 VanDerWaalsContact O-CA 3.32Å; L199-V211 WeakPolarHBondContact O-CA 3.34Å; L199-F212 PolarHBondContact N-O 2.83Å; L199-F212 PolarHBondContact O-N 2.86Å; L199-I214 HydrophobicContact CB-CD1 3.67Å; L199-I214 HydrophobicContact CB-CG1 3.67Å; L199-I214 HydrophobicContact CD2-CD1 4.2Å
200A98.7Very high96.3Very high0 Ų026.4 Ų26.40%014%0.14CC..EExtended strand (participates in β ladder)trans-87.6140.8168.400000110.5L190 A191 R210 V211 L236 F238 L245L190-A200 WeakPolarHBondContact CA-O 3.27Å; A191-A200 PolarHBondContact N-O 2.8Å; A191-A200 PolarHBondContact O-N 2.84Å; A200-R210 CarbonylContact C-O 3.56Å; A200-R210 WeakPolarHBondContact CA-O 3.45Å; A200-V211 HydrophobicContact CB-CG2 4.19Å; A200-L236 HydrophobicContact CB-CD1 4.09Å; A200-F238 HydrophobicContact CB-CD2 4.48Å; A200-F238 HydrophobicContact CB-CE2 3.41Å; A200-F238 VanDerWaalsContact CB-CE2 3.41Å; A200-F238 HydrophobicContact CB-CZ 3.61Å; A200-L245 HydrophobicContact CB-CD1 3.75Å; A200-L245 HydrophobicContact CB-CD2 3.77Å; A200-L245 HydrophobicContact CB-CG 4.44Å
201T98.6Very high96.3Very high0 Ų025.5 Ų25.50%014%0.135CC..EExtended strand (participates in β ladder)trans-138.9147.2-177.768.30000110.1V166 A182 H183 A189 L190 L199 R210 F212V166-T201 HydrophobicContact CG2-CG2 3.98Å; A182-T201 HydrophobicContact CB-CG2 4.31Å; H183-T201 PolarHBondContact NE2-OG1 3.47Å; A189-T201 WeakPolarHBondContact O-CA 3Å; L190-T201 HydrophobicContact CD2-CG2 3.66Å; L199-T201 HydrophobicContact CD2-CG2 3.97Å; L199-T201 HydrophobicContact CG-CG2 4.07Å; T201-R210 PolarHBondContact N-O 3.43Å; T201-R210 PolarHBondContact O-N 3.3Å; T201-R210 PolarHBondContact OG1-O 2.67Å; T201-F212 HydrophobicContact CG2-CD2 4.04Å; T201-F212 HydrophobicContact CG2-CE2 4.1Å; T201-F212 WeakPolarHBondContact OG1-CE2 3.21Å
202A97.7Very high96.3Very high0 Ų025.4 Ų25.40%013%0.133CC..EExtended strand (participates in β ladder)trans-142.4147.8167.700000110.3A188 A189 I209 I233 L236A188-A202 PolarHBondContact N-O 2.84Å; A189-A202 PolarHBondContact N-O 3.12Å; A189-A202 PolarHBondContact O-N 2.97Å; A202-I209 HydrophobicContact CB-CG1 4.31Å; A202-I233 HydrophobicContact CB-CB 4.29Å; A202-I233 HydrophobicContact CB-CG1 3.89Å; A202-I233 HydrophobicContact CB-CG2 4.19Å; A202-L236 HydrophobicContact CB-CD1 4.09Å
203S96.4Very high96.3Very high4 Ų425 Ų253%0.02813%0.132CC..EExtended strand (participates in β ladder)trans-91.8167.7174.964.50000112.5P186 K205 G206P186-S203 CarbonylContact O-C 3.59Å; P186-S203 WeakPolarHBondContact O-CA 3.06Å; P186-S203 WeakPolarHBondContact O-CB 3.19Å; S203-K205 PolarHBondContact O-N 2.81Å; S203-G206 WeakPolarHBondContact O-CA 3.47Å; S203-G206 PolarHBondContact O-N 3.24Å
204E94.4Very high96.3Very high119 Ų11925.1 Ų25.156%0.55613%0.133SC*.THydrogen-bonded Turntrans-59.4-24.2173-69.4-177.3163.500113.8P186 A188 G206P186-E204 HydrophobicContact CB-CG 4.29Å; P186-E204 PolarHBondContact O-N 3.41Å; A188-E204 HydrophobicContact CB-CG 4.14Å; E204-G206 PolarHBondContact O-N 3.37Å
205K91.6Very high96.3Very high103 Ų10325.4 Ų25.445%0.44813%0.133SC..THydrogen-bonded Turntrans-65-28.8171.3-71.5175.7-178169.30111.8S203 T207 C230 V231S203-K205 PolarHBondContact O-N 2.81Å; K205-T207 HydrophobicContact CB-CG2 4.35Å; K205-T207 PolarHBondContact O-N 2.87Å; K205-T207 VanDerWaalsContact O-N 3.16Å; K205-C230 WeakPolarHBondContact O-CA 3.38Å; K205-V231 PolarHBondContact O-N 2.89Å
206G89.6Confident96.2Very high0 Ų028.7 Ų28.70%014%0.143CC..  trans58.727.3176.500000115.2S203 E204 R225 V231S203-G206 WeakPolarHBondContact O-CA 3.47Å; S203-G206 PolarHBondContact O-N 3.24Å; E204-G206 PolarHBondContact O-N 3.37Å; G206-R225 PolarHBondContact O-NH2 2.83Å; G206-R225 VanDerWaalsContact O-NH2 3.16Å; G206-V231 WeakPolarHBondContact CA-O 3.44Å; G206-V231 WeakPolarHBondContact O-CG2 3.45Å
207T89.1Confident96.2Very high51 Ų5129.5 Ų29.531%0.31315%0.151SC..SBendtrans-84.2-47.3-179.548.10000111.8K205 R225 R229K205-T207 HydrophobicContact CB-CG2 4.35Å; K205-T207 PolarHBondContact O-N 2.87Å; K205-T207 VanDerWaalsContact O-N 3.16Å; T207-R225 PolarHBondContact O-N 2.91Å; T207-R229 WeakPolarHBondContact CG2-O 3.43Å
208V93.1Very high96.2Very high13 Ų1333.4 Ų33.48%0.07917%0.166CC..EExtended strand (participates in β ladder)trans-127146.9-175.4-63.60000110.8E222 F223 R224V208-E222 HydrophobicContact CB-CG 4.46Å; V208-F223 CarbonylContact C-O 3.6Å; V208-F223 VanDerWaalsContact CA-O 3.27Å; V208-F223 WeakPolarHBondContact CA-O 3.29Å; V208-R224 HydrophobicContact CG1-CG 4.41Å
209I95.9Very high96.1Very high0 Ų036.8 Ų36.80%018%0.181CC..EExtended strand (participates in β ladder)trans-115.2129.2171.9-61.4155.2000106.4A202 E222 F223 R225 L236 L245 A247 F257A202-I209 HydrophobicContact CB-CG1 4.31Å; I209-E222 WeakPolarHBondContact O-CA 3.27Å; I209-F223 HydrophobicContact CB-CB 4.49Å; I209-F223 PolarHBondContact N-O 2.97Å; I209-F223 PolarHBondContact O-N 3.1Å; I209-R225 HydrophobicContact CD1-CB 4.02Å; I209-R225 HydrophobicContact CD1-CG 4.26Å; I209-L236 HydrophobicContact CD1-CD2 4.36Å; I209-L236 HydrophobicContact CG1-CD2 4.36Å; I209-L236 HydrophobicContact CG2-CD2 4.03Å; I209-L245 HydrophobicContact CG2-CD2 3.83Å; I209-A247 HydrophobicContact CD1-CB 3.29Å; I209-A247 HydrophobicContact CG1-CB 4.46Å; I209-F257 HydrophobicContact CD1-CD2 4.49Å; I209-F257 HydrophobicContact CD1-CE2 3.51Å; I209-F257 HydrophobicContact CD1-CZ 3.97Å
210R97.4Very high96Very high43 Ų4340.4 Ų40.416%0.16220%0.199CC..EExtended strand (participates in β ladder)trans-118.2141.8-178.4-70.3175.7175.3135.40.7110.1A182 H183 A200 T201 F212 K219 F221 E222A182-R210 VanDerWaalsContact O-CD 3.29Å; A182-R210 WeakPolarHBondContact O-CD 3.39Å; A182-R210 PolarHBondContact O-NH1 3.33Å; H183-R210 PolarHBondContact ND1-NH1 2.84Å; A200-R210 CarbonylContact C-O 3.56Å; A200-R210 WeakPolarHBondContact CA-O 3.45Å; T201-R210 PolarHBondContact N-O 3.43Å; T201-R210 PolarHBondContact O-N 3.3Å; T201-R210 PolarHBondContact OG1-O 2.67Å; R210-F212 HydrophobicContact CB-CD2 4.32Å; R210-F212 HydrophobicContact CB-CE2 3.47Å; R210-F212 VanDerWaalsContact CB-CE2 3.47Å; R210-F212 HydrophobicContact CB-CZ 3.8Å; R210-F212 HydrophobicContact CG-CZ 4.48Å; R210-K219 HydrophobicContact CG-CD 4.17Å; R210-F221 WeakPolarHBondContact CA-O 3.44Å; R210-E222 HydrophobicContact CG-CB 4.41Å; R210-E222 HydrophobicContact CG-CG 4.03Å; R210-E222 IonicContact CZ-OE2 3.25Å; R210-E222 IonicContact NE-OE2 2.66Å; R210-E222 PolarHBondContact NE-OE2 3.06Å; R210-E222 IonicContact NH2-OE2 2.78Å; R210-E222 PolarHBondContact NH2-OE2 2.85Å
211V98.3Very high95.8Very high0 Ų042 Ų420%021%0.206CC..EExtended strand (participates in β ladder)trans-118.2129.4174.4-177.80000108.6K198 L199 A200 L220 F221 F223 F238 L245 L259K198-V211 HydrophobicContact CB-CG1 3.98Å; K198-V211 HydrophobicContact CD-CG1 4.35Å; K198-V211 HydrophobicContact CG-CG1 4.47Å; L199-V211 CarbonylContact O-C 3.5Å; L199-V211 VanDerWaalsContact O-CA 3.32Å; L199-V211 WeakPolarHBondContact O-CA 3.34Å; A200-V211 HydrophobicContact CB-CG2 4.19Å; V211-L220 PolarHBondContact O-N 3.45Å; V211-F221 HydrophobicContact CB-CB 4.01Å; V211-F221 HydrophobicContact CB-CD2 3.92Å; V211-F221 HydrophobicContact CB-CG 4.46Å; V211-F221 HydrophobicContact CG1-CD2 4.05Å; V211-F221 HydrophobicContact CG2-CB 4.23Å; V211-F221 HydrophobicContact CG2-CD2 4.47Å; V211-F221 PolarHBondContact N-O 2.8Å; V211-F221 PolarHBondContact O-N 2.89Å; V211-F221 VanDerWaalsContact O-N 3.13Å; V211-F223 HydrophobicContact CG2-CE2 4.16Å; V211-F238 HydrophobicContact CG1-CE1 4.32Å; V211-F238 HydrophobicContact CG1-CZ 4Å; V211-F238 HydrophobicContact CG2-CZ 4.39Å; V211-L245 HydrophobicContact CG2-CD2 3.67Å; V211-L259 HydrophobicContact CG2-CD2 4.45Å
212F98.6Very high95.6Very high10 Ų1044.2 Ų44.24%0.04422%0.217CC..EExtended strand (participates in β ladder)trans-116.3151-178.5-60.8-92.1000110.8I180 A182 K198 L199 T201 R210 G217 Q218 K219I180-F212 HydrophobicContact CD1-CB 4.18Å; I180-F212 HydrophobicContact CG2-CD1 3.58Å; I180-F212 HydrophobicContact CG2-CD2 4.25Å; I180-F212 HydrophobicContact CG2-CE1 3.63Å; I180-F212 HydrophobicContact CG2-CE2 4.28Å; I180-F212 HydrophobicContact CG2-CG 3.91Å; I180-F212 HydrophobicContact CG2-CZ 4Å; A182-F212 HydrophobicContact CB-CE2 3.7Å; A182-F212 HydrophobicContact CB-CZ 3.81Å; K198-F212 CarbonylContact C-O 3.56Å; K198-F212 WeakPolarHBondContact CA-O 3.35Å; L199-F212 PolarHBondContact N-O 2.83Å; L199-F212 PolarHBondContact O-N 2.86Å; T201-F212 HydrophobicContact CG2-CD2 4.04Å; T201-F212 HydrophobicContact CG2-CE2 4.1Å; T201-F212 WeakPolarHBondContact OG1-CE2 3.21Å; R210-F212 HydrophobicContact CB-CD2 4.32Å; R210-F212 HydrophobicContact CB-CE2 3.47Å; R210-F212 VanDerWaalsContact CB-CE2 3.47Å; R210-F212 HydrophobicContact CB-CZ 3.8Å; R210-F212 HydrophobicContact CG-CZ 4.48Å; F212-G217 WeakPolarHBondContact CD1-O 3.36Å; F212-Q218 CarbonylContact C-O 3.46Å; F212-Q218 VanDerWaalsContact CA-O 3.27Å; F212-Q218 WeakPolarHBondContact CA-O 3.41Å; F212-K219 HydrophobicContact CD1-CB 3.87Å; F212-K219 HydrophobicContact CD1-CG 4.35Å; F212-K219 HydrophobicContact CE1-CB 3.7Å; F212-K219 HydrophobicContact CE1-CD 4.44Å; F212-K219 HydrophobicContact CE1-CG 3.99Å; F212-K219 HydrophobicContact CZ-CG 4.39Å
213S98.1Very high95.3Very high14 Ų1445.4 Ų45.410%0.09822%0.222CC..EExtended strand (participates in β ladder)trans-72.714716551.80000110.3T197 G217 Q218T197-S213 CarbonylContact O-C 3.53Å; T197-S213 WeakPolarHBondContact O-CA 3.37Å; S213-G217 VanDerWaalsContact O-CA 3.26Å; S213-G217 WeakPolarHBondContact O-CA 3.3Å; S213-G217 PolarHBondContact O-N 3.12Å; S213-Q218 PolarHBondContact N-O 2.95Å; S213-Q218 WeakPolarHBondContact OG-CA 2.86Å; S213-Q218 VanDerWaalsContact OG-CB 3.27Å; S213-Q218 WeakPolarHBondContact OG-CB 3.43Å; S213-Q218 PolarHBondContact OG-N 2.79Å; S213-Q218 PolarHBondContact OG-O 3.08Å; S213-Q218 VanDerWaalsContact OG-O 3.12Å
214I98Very high95Very high6 Ų652 Ų523%0.03125%0.247CC..THydrogen-bonded Turntrans-128.9131.5-179.6-60.7-68.9000108.3Y154 V168 I180 F192 T197 L199Y154-I214 HydrophobicContact CD2-CG2 3.5Å; Y154-I214 VanDerWaalsContact CD2-CG2 3.5Å; Y154-I214 HydrophobicContact CE2-CG2 3.91Å; Y154-I214 HydrophobicContact CG-CG2 3.9Å; V168-I214 HydrophobicContact CG1-CD1 4.45Å; V168-I214 HydrophobicContact CG1-CG2 4.21Å; V168-I214 HydrophobicContact CG2-CD1 3.91Å; I180-I214 HydrophobicContact CD1-CD1 3.76Å; F192-I214 HydrophobicContact CD1-CG1 4.47Å; F192-I214 HydrophobicContact CE1-CB 4.41Å; F192-I214 HydrophobicContact CE1-CD1 4.28Å; F192-I214 HydrophobicContact CE1-CG1 3.89Å; F192-I214 HydrophobicContact CE1-CG2 4.01Å; T197-I214 PolarHBondContact O-N 2.69Å; L199-I214 HydrophobicContact CB-CD1 3.67Å; L199-I214 HydrophobicContact CB-CG1 3.67Å; L199-I214 HydrophobicContact CD2-CD1 4.2Å
215P96.9Very high94.2Very high34 Ų3446.8 Ų46.822%0.22122%0.222CC..THydrogen-bonded Turncis-85.9-5.35.734.3-37.4000115.6Y154 A177 N178 G217Y154-P215 HydrophobicContact CE1-CB 4.21Å; A177-P215 HydrophobicContact CB-CB 4.4Å; N178-P215 VanDerWaalsContact CB-O 3.28Å; N178-P215 WeakPolarHBondContact CB-O 3.5Å; N178-P215 PolarHBondContact ND2-O 3.07Å; P215-G217 VanDerWaalsContact C-N 3.26Å; P215-G217 PolarHBondContact O-N 3Å; P215-G217 VanDerWaalsContact O-N 3.16Å
216E96.4Very high93.3Very high116 Ų11643.7 Ų43.754%0.54222%0.219SC..THydrogen-bonded Turntrans-66.1-23.8-165.7-63.770.2-15200114.2N178 Q218N178-E216 PolarHBondContact ND2-O 2.76Å; E216-Q218 VanDerWaalsContact C-N 3.31Å; E216-Q218 HydrophobicContact CB-CG 4.18Å; E216-Q218 PolarHBondContact O-N 2.78Å
217G96.6Very high92.4Very high17 Ų1750.9 Ų50.918%0.17526%0.263CS..  trans77.113.1176.400000114.5N178 F212 S213 P215N178-G217 PolarHBondContact ND2-N 3.42Å; F212-G217 WeakPolarHBondContact CD1-O 3.36Å; S213-G217 VanDerWaalsContact O-CA 3.26Å; S213-G217 WeakPolarHBondContact O-CA 3.3Å; S213-G217 PolarHBondContact O-N 3.12Å; P215-G217 VanDerWaalsContact C-N 3.26Å; P215-G217 PolarHBondContact O-N 3Å; P215-G217 VanDerWaalsContact O-N 3.16Å
218Q97.1Very high91.7Very high130 Ų13054.6 Ų54.661%0.60728%0.275SS*.  trans-73.9130.9177.2-52.7177.4-0.100110.1F212 S213 E216 L220F212-Q218 CarbonylContact C-O 3.46Å; F212-Q218 VanDerWaalsContact CA-O 3.27Å; F212-Q218 WeakPolarHBondContact CA-O 3.41Å; S213-Q218 PolarHBondContact N-O 2.95Å; S213-Q218 WeakPolarHBondContact OG-CA 2.86Å; S213-Q218 VanDerWaalsContact OG-CB 3.27Å; S213-Q218 WeakPolarHBondContact OG-CB 3.43Å; S213-Q218 PolarHBondContact OG-N 2.79Å; S213-Q218 PolarHBondContact OG-O 3.08Å; S213-Q218 VanDerWaalsContact OG-O 3.12Å; E216-Q218 VanDerWaalsContact C-N 3.31Å; E216-Q218 HydrophobicContact CB-CG 4.18Å; E216-Q218 PolarHBondContact O-N 2.78Å; Q218-L220 PolarHBondContact O-N 2.87Å
219K97.1Very high90.4Very high113 Ų11364.7 Ų64.749%0.49131%0.311SS..EExtended strand (participates in β ladder)trans-69.2113.1176.1-171176.569.1175.50110R210 F212 E222R210-K219 HydrophobicContact CG-CD 4.17Å; F212-K219 HydrophobicContact CD1-CB 3.87Å; F212-K219 HydrophobicContact CD1-CG 4.35Å; F212-K219 HydrophobicContact CE1-CB 3.7Å; F212-K219 HydrophobicContact CE1-CD 4.44Å; F212-K219 HydrophobicContact CE1-CG 3.99Å; F212-K219 HydrophobicContact CZ-CG 4.39Å; K219-E222 HydrophobicContact CD-CB 4.48Å; K219-E222 IonicContact NZ-OE2 3.97Å; K219-E222 PolarHBondContact NZ-OE2 2.8Å
220L95.6Very high89.7Confident75 Ų7568.6 Ų68.639%0.39334%0.337SS..EExtended strand (participates in β ladder)trans-88.4-41.7179.5-60178.2000112K198 V211 Q218K198-L220 HydrophobicContact CD-CD1 4.23Å; K198-L220 HydrophobicContact CG-CD1 3.98Å; V211-L220 PolarHBondContact O-N 3.45Å; Q218-L220 PolarHBondContact O-N 2.87Å
221F95.2Very high89.3Confident33 Ų3366.9 Ų66.915%0.14533%0.332CS..EExtended strand (participates in β ladder)trans-140.2150.1-176.1-54.1-84.5000111.7R210 V211 F223 L259 E260R210-F221 WeakPolarHBondContact CA-O 3.44Å; V211-F221 HydrophobicContact CB-CB 4.01Å; V211-F221 HydrophobicContact CB-CD2 3.92Å; V211-F221 HydrophobicContact CB-CG 4.46Å; V211-F221 HydrophobicContact CG1-CD2 4.05Å; V211-F221 HydrophobicContact CG2-CB 4.23Å; V211-F221 HydrophobicContact CG2-CD2 4.47Å; V211-F221 PolarHBondContact N-O 2.8Å; V211-F221 PolarHBondContact O-N 2.89Å; V211-F221 VanDerWaalsContact O-N 3.13Å; F221-F223 HydrophobicContact CB-CD2 4.36Å; F221-F223 HydrophobicContact CB-CE1 4.46Å; F221-F223 HydrophobicContact CB-CE2 3.51Å; F221-F223 HydrophobicContact CB-CZ 3.57Å; F221-F223 AromaticContact CD1-CZ 3.99Å; F221-F223 HydrophobicContact CD1-CZ 3.99Å; F221-F223 HydrophobicContact CG-CE2 4.2Å; F221-F223 AromaticContact CG-CZ 3.92Å; F221-F223 HydrophobicContact CG-CZ 3.92Å; F221-L259 HydrophobicContact CD2-CD2 4.05Å; F221-L259 HydrophobicContact CE2-CB 4.18Å; F221-L259 HydrophobicContact CE2-CD2 4.31Å; F221-L259 HydrophobicContact CG-CD2 4.22Å; F221-L259 HydrophobicContact CZ-CB 4.15Å; F221-E260 WeakPolarHBondContact CE1-O 3.21Å
222E94.4Very high88.9Confident48 Ų4870 Ų7022%0.22435%0.353CS..EExtended strand (participates in β ladder)trans-138.5121.6170.8-173.8171.6110.700109.5V208 I209 R210 K219V208-E222 HydrophobicContact CB-CG 4.46Å; I209-E222 WeakPolarHBondContact O-CA 3.27Å; R210-E222 HydrophobicContact CG-CB 4.41Å; R210-E222 HydrophobicContact CG-CG 4.03Å; R210-E222 IonicContact CZ-OE2 3.25Å; R210-E222 IonicContact NE-OE2 2.66Å; R210-E222 PolarHBondContact NE-OE2 3.06Å; R210-E222 IonicContact NH2-OE2 2.78Å; R210-E222 PolarHBondContact NH2-OE2 2.85Å; K219-E222 HydrophobicContact CD-CB 4.48Å; K219-E222 IonicContact NZ-OE2 3.97Å; K219-E222 PolarHBondContact NZ-OE2 2.8Å
223F92.4Very high88.7Confident24 Ų2469.8 Ų69.811%0.10535%0.353CS..EExtended strand (participates in β ladder)trans-118.1137.9-177.4-56.4-69.2000110.9V208 I209 V211 F221 F257 L259V208-F223 CarbonylContact C-O 3.6Å; V208-F223 VanDerWaalsContact CA-O 3.27Å; V208-F223 WeakPolarHBondContact CA-O 3.29Å; I209-F223 HydrophobicContact CB-CB 4.49Å; I209-F223 PolarHBondContact N-O 2.97Å; I209-F223 PolarHBondContact O-N 3.1Å; V211-F223 HydrophobicContact CG2-CE2 4.16Å; F221-F223 HydrophobicContact CB-CD2 4.36Å; F221-F223 HydrophobicContact CB-CE1 4.46Å; F221-F223 HydrophobicContact CB-CE2 3.51Å; F221-F223 HydrophobicContact CB-CZ 3.57Å; F221-F223 AromaticContact CD1-CZ 3.99Å; F221-F223 HydrophobicContact CD1-CZ 3.99Å; F221-F223 HydrophobicContact CG-CE2 4.2Å; F221-F223 AromaticContact CG-CZ 3.92Å; F221-F223 HydrophobicContact CG-CZ 3.92Å; F223-F257 HydrophobicContact CB-CD1 3.69Å; F223-F257 HydrophobicContact CB-CD2 4.32Å; F223-F257 HydrophobicContact CB-CE1 3.65Å; F223-F257 HydrophobicContact CB-CE2 4.3Å; F223-F257 HydrophobicContact CB-CG 4.04Å; F223-F257 HydrophobicContact CB-CZ 3.97Å; F223-F257 HydrophobicContact CD1-CB 3.98Å; F223-F257 AromaticContact CD1-CD1 3.61Å; F223-F257 HydrophobicContact CD1-CD1 3.61Å; F223-F257 HydrophobicContact CD1-CE1 4.37Å; F223-F257 AromaticContact CD1-CG 3.89Å; F223-F257 HydrophobicContact CD1-CG 3.89Å; F223-F257 HydrophobicContact CD2-CB 4.02Å; F223-F257 HydrophobicContact CD2-CD1 4.31Å; F223-F257 HydrophobicContact CD2-CD2 4.17Å; F223-F257 AromaticContact CD2-CG 3.88Å; F223-F257 HydrophobicContact CD2-CG 3.88Å; F223-F257 HydrophobicContact CE1-CB 3.9Å; F223-F257 HydrophobicContact CE1-CD1 4.33Å; F223-F257 HydrophobicContact CE1-CG 4.33Å; F223-F257 HydrophobicContact CE2-CB 3.94Å; F223-F257 HydrophobicContact CE2-CG 4.32Å; F223-F257 HydrophobicContact CG-CB 4.04Å; F223-F257 AromaticContact CG-CD1 3.6Å; F223-F257 HydrophobicContact CG-CD1 3.6Å; F223-F257 HydrophobicContact CG-CD2 4.2Å; F223-F257 HydrophobicContact CG-CE1 4.11Å; F223-F257 AromaticContact CG-CG 3.65Å; F223-F257 HydrophobicContact CG-CG 3.65Å; F223-F257 HydrophobicContact CZ-CB 3.89Å; F223-L259 HydrophobicContact CE2-CD2 3.58Å; F223-L259 HydrophobicContact CZ-CD2 3.55Å
224R88.8Confident88.6Confident144 Ų14471 Ų7154%0.54336%0.36SS..EExtended strand (participates in β ladder)trans-88.7123.8165.4-68.8-178.2177.3-92.2-1.2108.6V208V208-R224 HydrophobicContact CG1-CG 4.41Å
225R78.2Confident88.5Confident8 Ų871.5 Ų71.53%0.0337%0.365CS..  trans-72.4-32.2-175.3-179.3-82.6-48130.314.6112.7G206 T207 I209 K228 H255G206-R225 PolarHBondContact O-NH2 2.83Å; G206-R225 VanDerWaalsContact O-NH2 3.16Å; T207-R225 PolarHBondContact O-N 2.91Å; I209-R225 HydrophobicContact CD1-CB 4.02Å; I209-R225 HydrophobicContact CD1-CG 4.26Å; R225-K228 PolarHBondContact NH2-O 3.45Å; R225-H255 WeakPolarHBondContact CD-CD2 3.38Å; R225-H255 PolarHBondContact O-CD2 3.33Å; R225-H255 PolarHBondContact O-CE1 3.39Å; R225-H255 PolarHBondContact O-ND1 3.06Å; R225-H255 PolarHBondContact O-NE2 3.14Å; R225-H255 VanDerWaalsContact O-NE2 3.08Å
226G72.4Confident88.6Confident38 Ų3870.5 Ų70.539%0.39236%0.358SS..  trans168.4-169174.700000113.4
227V70.9Confident88.7Confident152 Ų15265.6 Ų65.692%0.92134%0.337SS*.SBendtrans-77.5-28.3-172.7-169.10000113R229V227-R229 PolarHBondContact O-N 3.19Å
228K73.9Confident88.8Confident129 Ų12965.4 Ų65.456%0.56133%0.331SS*.SBendtrans-63.3125.3178.2-166.8168.8-177.6175.60110.4R225 C230 V231 T251R225-K228 PolarHBondContact NH2-O 3.45Å; K228-C230 PolarHBondContact O-N 3.19Å; K228-V231 HydrophobicContact CB-CG1 4.24Å; K228-V231 HydrophobicContact CD-CG1 3.97Å; K228-V231 HydrophobicContact CG-CG1 4.12Å; K228-T251 HydrophobicContact CD-CG2 4.05Å
229R66.9Low88.8Confident225 Ų22559.8 Ų59.885%0.84931%0.307SS*.SBendtrans-60.1-44-168-108-177.2-78.5171.7-3.7114.4T207 V227T207-R229 WeakPolarHBondContact CG2-O 3.43Å; V227-R229 PolarHBondContact O-N 3.19Å
230C80.3Confident88.7Confident81 Ų8157.5 Ų57.555%0.54730%0.298SS..  trans-140.9135.9178.2-61.10000110.2K205 K228K205-C230 WeakPolarHBondContact O-CA 3.38Å; K228-C230 PolarHBondContact O-N 3.19Å
231V88.4Confident88.5Confident7 Ų761.3 Ų61.34%0.04231%0.314CS..  trans-140.3155.7175.9-57.50000109.1K205 G206 K228 I233 T251K205-V231 PolarHBondContact O-N 2.89Å; G206-V231 WeakPolarHBondContact CA-O 3.44Å; G206-V231 WeakPolarHBondContact O-CG2 3.45Å; K228-V231 HydrophobicContact CB-CG1 4.24Å; K228-V231 HydrophobicContact CD-CG1 3.97Å; K228-V231 HydrophobicContact CG-CG1 4.12Å; V231-I233 HydrophobicContact CG2-CD1 3.95Å; V231-T251 HydrophobicContact CB-CG2 4.31Å; V231-T251 HydrophobicContact CG1-CG2 3.58Å
232S91.1Very high88.5Confident65 Ų6560.1 Ų60.146%0.45531%0.311SS..  trans-87.2116.5170.7-177.40000108.2S249 N250S232-S249 CarbonylContact O-C 3.49Å; S232-S249 WeakPolarHBondContact O-CA 3.34Å; S232-S249 WeakPolarHBondContact O-CB 3.43Å; S232-N250 PolarHBondContact N-OD1 2.83Å; S232-N250 PolarHBondContact O-N 2.93Å; S232-N250 PolarHBondContact O-OD1 2.86Å
233I95Very high88.4Confident7 Ų762.2 Ų62.24%0.03632%0.323CS..EExtended strand (participates in β ladder)trans-74.3125.8175-59.3-62.9000108.2A189 A202 V231 L236A189-I233 HydrophobicContact CB-CG2 3.84Å; A202-I233 HydrophobicContact CB-CB 4.29Å; A202-I233 HydrophobicContact CB-CG1 3.89Å; A202-I233 HydrophobicContact CB-CG2 4.19Å; V231-I233 HydrophobicContact CG2-CD1 3.95Å; I233-L236 HydrophobicContact CG2-CD2 4.27Å; I233-L236 HydrophobicContact CG2-CG 4.3Å
234C94.6Very high88.6Confident38 Ų3862.1 Ų62.126%0.25732%0.322SS..EExtended strand (participates in β ladder)trans-92.8-39.9-179.2-65.50000111.7S248 N316C234-S248 PolarHBondContact N-O 2.83Å; C234-N316 VanDerWaalsContact CB-O 3.26Å; C234-N316 WeakPolarHBondContact CB-O 3.39Å
235S96.8Very high89Confident18 Ų1855.3 Ų55.313%0.12630%0.296CS..EExtended strand (participates in β ladder)trans-156.6145.3-174.7-172.60000112A247 S248 C318S235-A247 WeakPolarHBondContact O-CA 3.37Å; S235-S248 WeakPolarHBondContact CB-OG 3.15Å; S235-S248 PolarHBondContact N-O 2.81Å; S235-S248 PolarHBondContact N-OG 2.79Å; S235-S248 PolarHBondContact O-N 3.4Å; S235-C318 PolarHBondContact OG-N 2.91Å
236L98.3Very high90Very high13 Ų1354.9 Ų54.97%0.06830%0.295CS..EExtended strand (participates in β ladder)trans-120.4136.5167.3-64.7175000107.9A189 A191 A200 A202 I209 I233 L245 S246 A247A189-L236 HydrophobicContact CB-CD1 3.74Å; A189-L236 HydrophobicContact CB-CG 3.8Å; A191-L236 HydrophobicContact CB-CB 3.89Å; A191-L236 WeakPolarHBondContact CB-O 3.3Å; A200-L236 HydrophobicContact CB-CD1 4.09Å; A202-L236 HydrophobicContact CB-CD1 4.09Å; I209-L236 HydrophobicContact CD1-CD2 4.36Å; I209-L236 HydrophobicContact CG1-CD2 4.36Å; I209-L236 HydrophobicContact CG2-CD2 4.03Å; I233-L236 HydrophobicContact CG2-CD2 4.27Å; I233-L236 HydrophobicContact CG2-CG 4.3Å; L236-L245 HydrophobicContact CB-CD1 4.44Å; L236-S246 WeakPolarHBondContact CA-O 3.26Å; L236-A247 HydrophobicContact CD2-CB 3.54Å
237A98.3Very high91.1Very high13 Ų1353.1 Ų53.111%0.10728%0.276CS..EExtended strand (participates in β ladder)trans-147.7128.6177.200000112L245 S246 C318A237-L245 WeakPolarHBondContact O-CA 3.4Å; A237-S246 PolarHBondContact N-O 3.38Å; A237-S246 PolarHBondContact O-N 3.32Å; A237-S246 PolarHBondContact O-OG 3.3Å; A237-C318 VanDerWaalsContact CB-O 3.23Å; A237-C318 WeakPolarHBondContact CB-O 3.48Å
238F98.4Very high92.3Very high12 Ų1245.9 Ų45.95%0.05323%0.232CC..EExtended strand (participates in β ladder)trans-79.8152.4170.5-73.2-95000110.7A191 F192 D193 K198 A200 V211 Y244 L245 L259A191-F238 HydrophobicContact CB-CD2 4.4Å; A191-F238 HydrophobicContact CB-CE2 4.49Å; A191-F238 WeakPolarHBondContact O-CE2 3.26Å; F192-F238 WeakPolarHBondContact O-CD2 3.44Å; D193-F238 HydrophobicContact CB-CB 4.16Å; D193-F238 HydrophobicContact CB-CD1 3.79Å; D193-F238 HydrophobicContact CB-CD2 4.07Å; D193-F238 HydrophobicContact CB-CE1 4.11Å; D193-F238 HydrophobicContact CB-CE2 4.39Å; D193-F238 HydrophobicContact CB-CG 3.75Å; D193-F238 HydrophobicContact CB-CZ 4.41Å; K198-F238 HydrophobicContact CB-CE1 4.29Å; K198-F238 HydrophobicContact CB-CZ 4.16Å; A200-F238 HydrophobicContact CB-CD2 4.48Å; A200-F238 HydrophobicContact CB-CE2 3.41Å; A200-F238 VanDerWaalsContact CB-CE2 3.41Å; A200-F238 HydrophobicContact CB-CZ 3.61Å; V211-F238 HydrophobicContact CG1-CE1 4.32Å; V211-F238 HydrophobicContact CG1-CZ 4Å; V211-F238 HydrophobicContact CG2-CZ 4.39Å; F238-Y244 CarbonylContact C-O 3.6Å; F238-Y244 VanDerWaalsContact CA-O 3.31Å; F238-Y244 WeakPolarHBondContact CA-O 3.18Å; F238-L245 HydrophobicContact CD1-CD1 4.38Å; F238-L245 HydrophobicContact CD2-CD1 3.99Å; F238-L245 HydrophobicContact CE1-CD1 4.39Å; F238-L245 HydrophobicContact CE2-CD1 3.96Å; F238-L245 HydrophobicContact CG-CD1 4.21Å; F238-L245 HydrophobicContact CZ-CD1 4.18Å; F238-L259 HydrophobicContact CD1-CD1 3.63Å; F238-L259 HydrophobicContact CE1-CD1 3.37Å
239S97Very high93.3Very high13 Ų1339.7 Ų39.79%0.09121%0.206CC..  trans-67.6154157.964.20000110.3E241 G242 L243 Y244S239-E241 PolarHBondContact O-N 3.12Å; S239-G242 WeakPolarHBondContact O-CA 3.46Å; S239-G242 PolarHBondContact O-N 2.97Å; S239-L243 PolarHBondContact OG-N 3.21Å; S239-L243 VanDerWaalsContact OG-N 3.16Å; S239-Y244 PolarHBondContact N-O 2.77Å; S239-Y244 PolarHBondContact OG-N 3.2Å
240M95.1Very high94.5Very high65 Ų6531.9 Ų31.932%0.3218%0.181SC..THydrogen-bonded Turntrans-58.5-32.8179.4-70.5-63.114200113Q22 D23 N24 I148 A194 G242Q22-M240 VanDerWaalsContact O-CE 3.27Å; Q22-M240 WeakPolarHBondContact O-CE 3.34Å; D23-M240 VanDerWaalsContact C-CE 3.47Å; D23-M240 VanDerWaalsContact CA-CE 3.45Å; N24-M240 HydrophobicContact CB-CE 4.19Å; N24-M240 VanDerWaalsContact ND2-CE 3.25Å; N24-M240 WeakPolarHBondContact ND2-CE 3.25Å; I148-M240 HydrophobicContact CD1-SD 4.38Å; A194-M240 VanDerWaalsContact CB-O 3.31Å; A194-M240 WeakPolarHBondContact CB-O 3.33Å; A194-M240 HydrophobicContact CB-SD 4.14Å; M240-G242 PolarHBondContact O-N 2.88Å
241E93Very high95.1Very high155 Ų15528.8 Ų28.872%0.72416%0.159SC*.THydrogen-bonded Turntrans-76.2-8175.4-55.8-55.2132.700113.3S239 L243S239-E241 PolarHBondContact O-N 3.12Å; E241-L243 HydrophobicContact CB-CD1 4Å; E241-L243 HydrophobicContact CB-CG 3.94Å; E241-L243 PolarHBondContact O-N 3.42Å
242G93.4Very high95.2Very high7 Ų731.8 Ų31.87%0.07217%0.173CC..SBendtrans68.917.9-176.800000114.4S239 M240 L259S239-G242 WeakPolarHBondContact O-CA 3.46Å; S239-G242 PolarHBondContact O-N 2.97Å; M240-G242 PolarHBondContact O-N 2.88Å; G242-L259 WeakPolarHBondContact O-CD1 3.43Å
243L93.9Very high95.3Very high93 Ų9330.2 Ų30.249%0.48716%0.161SC..SBendtrans-89.3-24.1-178-67176.3000113.8S239 E241 L259S239-L243 PolarHBondContact OG-N 3.21Å; S239-L243 VanDerWaalsContact OG-N 3.16Å; E241-L243 HydrophobicContact CB-CD1 4Å; E241-L243 HydrophobicContact CB-CG 3.94Å; E241-L243 PolarHBondContact O-N 3.42Å; L243-L259 PolarHBondContact O-N 3.13Å
244Y96.4Very high95.3Very high22 Ų2229.9 Ų29.99%0.08616%0.159CC..EExtended strand (participates in β ladder)trans-131.1149.9-176.8-59.8-77.5000110.4F238 S239 I256 F257 K258 F304 P345F238-Y244 CarbonylContact C-O 3.6Å; F238-Y244 VanDerWaalsContact CA-O 3.31Å; F238-Y244 WeakPolarHBondContact CA-O 3.18Å; S239-Y244 PolarHBondContact N-O 2.77Å; S239-Y244 PolarHBondContact OG-N 3.2Å; Y244-I256 HydrophobicContact CD1-CG2 4.17Å; Y244-I256 HydrophobicContact CG-CG2 4.49Å; Y244-F257 CarbonylContact C-O 3.49Å; Y244-F257 VanDerWaalsContact CA-O 3.24Å; Y244-F257 WeakPolarHBondContact CA-O 3.15Å; Y244-K258 HydrophobicContact CD1-CB 4.15Å; Y244-K258 HydrophobicContact CD1-CG 4.03Å; Y244-K258 HydrophobicContact CE1-CB 4.12Å; Y244-K258 HydrophobicContact CE1-CD 4.07Å; Y244-K258 HydrophobicContact CE1-CG 3.68Å; Y244-F304 HydrophobicContact CD1-CD1 4.15Å; Y244-F304 HydrophobicContact CD1-CE1 4.39Å; Y244-F304 AromaticContact CE1-CD1 3.72Å; Y244-F304 HydrophobicContact CE1-CD1 3.72Å; Y244-F304 AromaticContact CE1-CE1 3.57Å; Y244-F304 HydrophobicContact CE1-CE1 3.57Å; Y244-F304 HydrophobicContact CE1-CZ 4.26Å; Y244-P345 WeakPolarHBondContact OH-CA 3.27Å; Y244-P345 WeakPolarHBondContact OH-CB 3.47Å; Y244-P345 PolarHBondContact OH-O 2.86Å; Y244-P345 VanDerWaalsContact OH-O 3.06Å
245L97.6Very high95.4Very high0 Ų029 Ų290%015%0.151CC..EExtended strand (participates in β ladder)trans-128.4117172.4175.365.1000108.8A200 I209 V211 L236 A237 F238 I256 F257 L259A200-L245 HydrophobicContact CB-CD1 3.75Å; A200-L245 HydrophobicContact CB-CD2 3.77Å; A200-L245 HydrophobicContact CB-CG 4.44Å; I209-L245 HydrophobicContact CG2-CD2 3.83Å; V211-L245 HydrophobicContact CG2-CD2 3.67Å; L236-L245 HydrophobicContact CB-CD1 4.44Å; A237-L245 WeakPolarHBondContact O-CA 3.4Å; F238-L245 HydrophobicContact CD1-CD1 4.38Å; F238-L245 HydrophobicContact CD2-CD1 3.99Å; F238-L245 HydrophobicContact CE1-CD1 4.39Å; F238-L245 HydrophobicContact CE2-CD1 3.96Å; F238-L245 HydrophobicContact CG-CD1 4.21Å; F238-L245 HydrophobicContact CZ-CD1 4.18Å; L245-I256 CarbonylContact O-C 3.51Å; L245-I256 WeakPolarHBondContact O-CA 3.46Å; L245-F257 PolarHBondContact N-O 2.91Å; L245-F257 WeakPolarHBondContact O-CD2 3.49Å; L245-F257 PolarHBondContact O-N 2.81Å; L245-L259 HydrophobicContact CB-CD1 4.29Å; L245-L259 HydrophobicContact CB-CD2 4.28Å; L245-L259 HydrophobicContact CB-CG 4.47Å
246S97.6Very high95.4Very high0 Ų028.1 Ų28.10%015%0.145CC..EExtended strand (participates in β ladder)trans-91.4141.9169.960.30000111L236 A237 H255 C318L236-S246 WeakPolarHBondContact CA-O 3.26Å; A237-S246 PolarHBondContact N-O 3.38Å; A237-S246 PolarHBondContact O-N 3.32Å; A237-S246 PolarHBondContact O-OG 3.3Å; S246-H255 CarbonylContact C-O 3.59Å; S246-H255 WeakPolarHBondContact CA-O 3.43Å; S246-C318 PolarHBondContact OG-SG 2.8Å; S246-C318 VanDerWaalsContact OG-SG 3.37Å
247A97.2Very high95.2Very high0 Ų027.6 Ų27.60%014%0.142CC..EExtended strand (participates in β ladder)trans-132.8117174.300000110.3I209 S235 L236 V254 H255 F257I209-A247 HydrophobicContact CD1-CB 3.29Å; I209-A247 HydrophobicContact CG1-CB 4.46Å; S235-A247 WeakPolarHBondContact O-CA 3.37Å; L236-A247 HydrophobicContact CD2-CB 3.54Å; A247-V254 WeakPolarHBondContact O-CG1 3.32Å; A247-H255 PolarHBondContact N-O 2.99Å; A247-H255 PolarHBondContact O-N 2.88Å; A247-F257 HydrophobicContact CB-CE2 4.03Å
248S96.1Very high95Very high0 Ų030.2 Ų30.20%015%0.151CC..EExtended strand (participates in β ladder)trans-106152.7175.769.90000111.2C234 S235 N316C234-S248 PolarHBondContact N-O 2.83Å; S235-S248 WeakPolarHBondContact CB-OG 3.15Å; S235-S248 PolarHBondContact N-O 2.81Å; S235-S248 PolarHBondContact N-OG 2.79Å; S235-S248 PolarHBondContact O-N 3.4Å; S248-N316 WeakPolarHBondContact CB-OD1 3.36Å; S248-N316 PolarHBondContact OG-OD1 3.07Å
249S94Very high94.7Very high0 Ų030.2 Ų30.20%015%0.151CC..EExtended strand (participates in β ladder)trans-137.4-176.4-178.8410000111.9S232 T251 N316S232-S249 CarbonylContact O-C 3.49Å; S232-S249 WeakPolarHBondContact O-CA 3.34Å; S232-S249 WeakPolarHBondContact O-CB 3.43Å; S249-T251 PolarHBondContact O-N 3.23Å; S249-T251 PolarHBondContact OG-OG1 2.95Å; S249-N316 PolarHBondContact O-ND2 2.85Å
250N91.9Very high94.1Very high60 Ų6035.4 Ų35.432%0.32117%0.174SC..SBendtrans-70.8-2.4169.671.2-38.9000113.7S232 G313S232-N250 PolarHBondContact N-OD1 2.83Å; S232-N250 PolarHBondContact O-N 2.93Å; S232-N250 PolarHBondContact O-OD1 2.86Å; N250-G313 WeakPolarHBondContact O-CA 3.42Å; N250-G313 PolarHBondContact O-N 3.16Å
251T92.1Very high92.7Very high16 Ų1637.7 Ų37.710%0.09819%0.192CC..SBendtrans-84.7166.1171.358.70000111K228 V231 S249 T253K228-T251 HydrophobicContact CD-CG2 4.05Å; V231-T251 HydrophobicContact CB-CG2 4.31Å; V231-T251 HydrophobicContact CG1-CG2 3.58Å; S249-T251 PolarHBondContact O-N 3.23Å; S249-T251 PolarHBondContact OG-OG1 2.95Å; T251-T253 PolarHBondContact O-N 3.38Å; T251-T253 PolarHBondContact OG1-OG1 3.29Å
252E91.8Very high90.9Very high70 Ų7038.5 Ų38.533%0.32720%0.196SC..SBendtrans-70.811.3172.961.7173.7-15600113.9R308 L309 F311 C312E252-R308 CarbonylContact O-C 3.53Å; E252-R308 VanDerWaalsContact O-CA 3.31Å; E252-R308 WeakPolarHBondContact O-CA 3.43Å; E252-R308 IonicContact OE1-CZ 3.58Å; E252-R308 VanDerWaalsContact OE1-CZ 3.25Å; E252-R308 IonicContact OE1-NE 3.31Å; E252-R308 PolarHBondContact OE1-NE 2.76Å; E252-R308 IonicContact OE1-NH2 2.97Å; E252-R308 PolarHBondContact OE1-NH2 2.97Å; E252-R308 IonicContact OE2-CZ 3.27Å; E252-R308 IonicContact OE2-NE 2.67Å; E252-R308 IonicContact OE2-NH2 2.69Å; E252-R308 PolarHBondContact OE2-NH2 3.32Å; E252-L309 PolarHBondContact O-N 3.31Å; E252-F311 WeakPolarHBondContact CA-O 3.46Å; E252-F311 WeakPolarHBondContact CB-O 3.26Å; E252-C312 HydrophobicContact CB-CB 4.42Å
253T92.7Very high88.5Confident33 Ų3347.3 Ų47.320%0.20223%0.232CC..EExtended strand (participates in β ladder)trans-121.8134.4-174.761.50000111.9T251 H255 V307T251-T253 PolarHBondContact O-N 3.38Å; T251-T253 PolarHBondContact OG1-OG1 3.29Å; T253-H255 PolarHBondContact OG1-NE2 2.96Å; T253-V307 CarbonylContact C-O 3.57Å; T253-V307 VanDerWaalsContact CA-O 3.28Å; T253-V307 WeakPolarHBondContact CA-O 3.42Å
254V95.8Very high86.2Confident0 Ų052 Ų520%025%0.252CS..EExtended strand (participates in β ladder)trans-111132.6164.8-172.20000108.2A247 T306 V307 L309 L329 V331A247-V254 WeakPolarHBondContact O-CG1 3.32Å; V254-T306 CarbonylContact O-C 3.55Å; V254-T306 WeakPolarHBondContact O-CA 3.37Å; V254-V307 HydrophobicContact CB-CB 4.08Å; V254-V307 PolarHBondContact N-O 3.47Å; V254-V307 PolarHBondContact O-N 2.91Å; V254-L309 HydrophobicContact CG2-CD1 3.78Å; V254-L309 HydrophobicContact CG2-CD2 4.09Å; V254-L309 HydrophobicContact CG2-CG 4Å; V254-L329 HydrophobicContact CB-CD2 4.01Å; V254-L329 HydrophobicContact CG1-CD1 4.45Å; V254-L329 HydrophobicContact CG1-CD2 3.8Å; V254-L329 HydrophobicContact CG2-CD2 4.41Å; V254-V331 HydrophobicContact CG2-CG2 4.33Å
255H95.5Very high83.4Confident19 Ų1960.1 Ų60.19%0.08829%0.287CS..EExtended strand (participates in β ladder)trans-108.2134-179.6-63.9-78.1000109.9R225 S246 A247 T253 F257 A303R225-H255 WeakPolarHBondContact CD-CD2 3.38Å; R225-H255 PolarHBondContact O-CD2 3.33Å; R225-H255 PolarHBondContact O-CE1 3.39Å; R225-H255 PolarHBondContact O-ND1 3.06Å; R225-H255 PolarHBondContact O-NE2 3.14Å; R225-H255 VanDerWaalsContact O-NE2 3.08Å; S246-H255 CarbonylContact C-O 3.59Å; S246-H255 WeakPolarHBondContact CA-O 3.43Å; A247-H255 PolarHBondContact N-O 2.99Å; A247-H255 PolarHBondContact O-N 2.88Å; T253-H255 PolarHBondContact OG1-NE2 2.96Å; H255-F257 HydrophobicContact CB-CE1 4.34Å; H255-F257 HydrophobicContact CB-CE2 3.95Å; H255-F257 HydrophobicContact CB-CZ 3.64Å; H255-A303 HydrophobicContact CB-CB 3.79Å
256I96.8Very high80.8Confident0 Ų070 Ų700%033%0.326CS..EExtended strand (participates in β ladder)trans-114.4122.8177.5-57.6169.9000107.3Y244 L245 A303 F304 A305 V307 L320 L329 L343Y244-I256 HydrophobicContact CD1-CG2 4.17Å; Y244-I256 HydrophobicContact CG-CG2 4.49Å; L245-I256 CarbonylContact O-C 3.51Å; L245-I256 WeakPolarHBondContact O-CA 3.46Å; I256-A303 CarbonylContact O-C 3.58Å; I256-F304 WeakPolarHBondContact O-CA 3.43Å; I256-F304 WeakPolarHBondContact O-CB 3.4Å; I256-F304 PolarHBondContact O-N 3.39Å; I256-A305 HydrophobicContact CB-CB 4.13Å; I256-A305 HydrophobicContact CD1-CB 4.2Å; I256-A305 PolarHBondContact N-O 3.35Å; I256-A305 PolarHBondContact O-N 3.04Å; I256-A305 VanDerWaalsContact O-N 3.12Å; I256-V307 HydrophobicContact CD1-CG2 4.28Å; I256-L320 HydrophobicContact CD1-CD2 4.33Å; I256-L329 HydrophobicContact CD1-CB 4.3Å; I256-L329 HydrophobicContact CD1-CD1 4.44Å; I256-L329 HydrophobicContact CD1-CD2 4.33Å; I256-L343 HydrophobicContact CD1-CD1 3.9Å; I256-L343 HydrophobicContact CD1-CD2 4.23Å; I256-L343 HydrophobicContact CG2-CD2 4.24Å
257F95.6Very high78.4Confident2 Ų275.8 Ų75.81%0.00936%0.361CS..EExtended strand (participates in β ladder)trans-105.8140.2177.8-51.8-76.9000109.5I209 F223 Y244 L245 A247 H255 A303I209-F257 HydrophobicContact CD1-CD2 4.49Å; I209-F257 HydrophobicContact CD1-CE2 3.51Å; I209-F257 HydrophobicContact CD1-CZ 3.97Å; F223-F257 HydrophobicContact CB-CD1 3.69Å; F223-F257 HydrophobicContact CB-CD2 4.32Å; F223-F257 HydrophobicContact CB-CE1 3.65Å; F223-F257 HydrophobicContact CB-CE2 4.3Å; F223-F257 HydrophobicContact CB-CG 4.04Å; F223-F257 HydrophobicContact CB-CZ 3.97Å; F223-F257 HydrophobicContact CD1-CB 3.98Å; F223-F257 AromaticContact CD1-CD1 3.61Å; F223-F257 HydrophobicContact CD1-CD1 3.61Å; F223-F257 HydrophobicContact CD1-CE1 4.37Å; F223-F257 AromaticContact CD1-CG 3.89Å; F223-F257 HydrophobicContact CD1-CG 3.89Å; F223-F257 HydrophobicContact CD2-CB 4.02Å; F223-F257 HydrophobicContact CD2-CD1 4.31Å; F223-F257 HydrophobicContact CD2-CD2 4.17Å; F223-F257 AromaticContact CD2-CG 3.88Å; F223-F257 HydrophobicContact CD2-CG 3.88Å; F223-F257 HydrophobicContact CE1-CB 3.9Å; F223-F257 HydrophobicContact CE1-CD1 4.33Å; F223-F257 HydrophobicContact CE1-CG 4.33Å; F223-F257 HydrophobicContact CE2-CB 3.94Å; F223-F257 HydrophobicContact CE2-CG 4.32Å; F223-F257 HydrophobicContact CG-CB 4.04Å; F223-F257 AromaticContact CG-CD1 3.6Å; F223-F257 HydrophobicContact CG-CD1 3.6Å; F223-F257 HydrophobicContact CG-CD2 4.2Å; F223-F257 HydrophobicContact CG-CE1 4.11Å; F223-F257 AromaticContact CG-CG 3.65Å; F223-F257 HydrophobicContact CG-CG 3.65Å; F223-F257 HydrophobicContact CZ-CB 3.89Å; Y244-F257 CarbonylContact C-O 3.49Å; Y244-F257 VanDerWaalsContact CA-O 3.24Å; Y244-F257 WeakPolarHBondContact CA-O 3.15Å; L245-F257 PolarHBondContact N-O 2.91Å; L245-F257 WeakPolarHBondContact O-CD2 3.49Å; L245-F257 PolarHBondContact O-N 2.81Å; A247-F257 HydrophobicContact CB-CE2 4.03Å; H255-F257 HydrophobicContact CB-CE1 4.34Å; H255-F257 HydrophobicContact CB-CE2 3.95Å; H255-F257 HydrophobicContact CB-CZ 3.64Å; F257-A303 HydrophobicContact CD1-CB 4.4Å; F257-A303 HydrophobicContact CE1-CB 4.05Å
258K93.6Very high75.9Confident68 Ų6879.8 Ų79.830%0.29639%0.387SS..EExtended strand (participates in β ladder)trans-93.9132173.4-162.5178-177.1-167.60109.2Y244 E260 F304Y244-K258 HydrophobicContact CD1-CB 4.15Å; Y244-K258 HydrophobicContact CD1-CG 4.03Å; Y244-K258 HydrophobicContact CE1-CB 4.12Å; Y244-K258 HydrophobicContact CE1-CD 4.07Å; Y244-K258 HydrophobicContact CE1-CG 3.68Å; K258-E260 HydrophobicContact CD-CG 3.93Å; K258-E260 VanDerWaalsContact CD-OE1 3.25Å; K258-E260 WeakPolarHBondContact CD-OE1 3.34Å; K258-E260 WeakPolarHBondContact CE-OE1 3.45Å; K258-E260 HydrophobicContact CG-CG 3.9Å; K258-E260 IonicContact NZ-OE1 2.8Å; K258-E260 PolarHBondContact NZ-OE1 2.79Å; K258-E260 PolarHBondContact O-N 2.64Å; K258-F304 HydrophobicContact CB-CB 3.94Å; K258-F304 HydrophobicContact CB-CD2 4.25Å; K258-F304 HydrophobicContact CB-CG 3.99Å; K258-F304 HydrophobicContact CD-CD2 4.07Å; K258-F304 HydrophobicContact CD-CE2 4.14Å; K258-F304 HydrophobicContact CD-CG 4.48Å
259L92.4Very high73.3Confident11 Ų1184.9 Ų84.96%0.05843%0.429CS..  trans-99.567.2-174.3-55.5-179.9000110V211 F221 F223 F238 G242 L243 L245 T261V211-L259 HydrophobicContact CG2-CD2 4.45Å; F221-L259 HydrophobicContact CD2-CD2 4.05Å; F221-L259 HydrophobicContact CE2-CB 4.18Å; F221-L259 HydrophobicContact CE2-CD2 4.31Å; F221-L259 HydrophobicContact CG-CD2 4.22Å; F221-L259 HydrophobicContact CZ-CB 4.15Å; F223-L259 HydrophobicContact CE2-CD2 3.58Å; F223-L259 HydrophobicContact CZ-CD2 3.55Å; F238-L259 HydrophobicContact CD1-CD1 3.63Å; F238-L259 HydrophobicContact CE1-CD1 3.37Å; G242-L259 WeakPolarHBondContact O-CD1 3.43Å; L243-L259 PolarHBondContact O-N 3.13Å; L245-L259 HydrophobicContact CB-CD1 4.29Å; L245-L259 HydrophobicContact CB-CD2 4.28Å; L245-L259 HydrophobicContact CB-CG 4.47Å; L259-T261 PolarHBondContact O-N 2.86Å
260E83.3Confident71.3Confident123 Ų12393 Ų9358%0.57547%0.467SS*.  trans-82.5116177.6-62.1-172.8163.300109.9F221 K258 Q262F221-E260 WeakPolarHBondContact CE1-O 3.21Å; K258-E260 HydrophobicContact CD-CG 3.93Å; K258-E260 VanDerWaalsContact CD-OE1 3.25Å; K258-E260 WeakPolarHBondContact CD-OE1 3.34Å; K258-E260 WeakPolarHBondContact CE-OE1 3.45Å; K258-E260 HydrophobicContact CG-CG 3.9Å; K258-E260 IonicContact NZ-OE1 2.8Å; K258-E260 PolarHBondContact NZ-OE1 2.79Å; K258-E260 PolarHBondContact O-N 2.64Å; E260-Q262 PolarHBondContact O-N 2.89Å
261T66.8Low69.1Low112 Ų11298.8 Ų98.869%0.68749%0.492SS*.  trans-74.2117.9166.6-47.70000106.9L259 K263L259-T261 PolarHBondContact O-N 2.86Å; T261-K263 VanDerWaalsContact C-N 3.35Å; T261-K263 PolarHBondContact O-N 3.14Å
262Q53.7Low66.9Low173 Ų173101.9 Ų101.981%0.80851%0.512SS*.  trans-59.7102.5169.8-73.7-169.1-11.200107.5E260 E264E260-Q262 PolarHBondContact O-N 2.89Å; Q262-E264 PolarHBondContact O-N 3.29Å; Q262-E264 VanDerWaalsContact O-N 3.1Å
263K43.9Very low65Low192 Ų192105 Ų10584%0.83554%0.537SS*.  trans-63.7112.4158.8-79.5-174.4176.9-1790104.6T261 K265T261-K263 VanDerWaalsContact C-N 3.35Å; T261-K263 PolarHBondContact O-N 3.14Å; K263-K265 PolarHBondContact O-N 3.26Å
264E45.4Very low62.9Low191 Ų191108.4 Ų108.489%0.89356%0.557SS**  trans-47.1109.5165.6-73.2-178.2161.800106.7Q262 Y266Q262-E264 PolarHBondContact O-N 3.29Å; Q262-E264 VanDerWaalsContact O-N 3.1Å; E264-Y266 VanDerWaalsContact C-N 3.29Å; E264-Y266 PolarHBondContact O-N 3.12Å
265K38.4Very low60.6Low193 Ų193119.9 Ų119.984%0.83960%0.601SS**  trans-66.2101.3172-78.8-177.5177.31780105K263 V267K263-K265 PolarHBondContact O-N 3.26Å; K265-V267 PolarHBondContact O-N 2.75Å
266Y42.9Very low58.4Low206 Ų206122.1 Ų122.181%0.80863%0.629SS**  trans-57.2107166.7-170.8-93.5000107E264 P268E264-Y266 VanDerWaalsContact C-N 3.29Å; E264-Y266 PolarHBondContact O-N 3.12Å; Y266-P268 HydrophobicContact CD1-CG 4.34Å; Y266-P268 WeakPolarHBondContact O-CD 3.03Å
267V47.2Very low56.1Low122 Ų122123.6 Ų123.674%0.73964%0.644SS**  trans-85.7110.5170.3-179.40000105.6K265 A269K265-V267 PolarHBondContact O-N 2.75Å; V267-A269 PolarHBondContact O-N 2.82Å
268P44Very low53.9Low85 Ų85131.4 Ų131.455%0.55268%0.675SS**  trans-61.8130.5171.4-13.728.6000108.1Y266 E270Y266-P268 HydrophobicContact CD1-CG 4.34Å; Y266-P268 WeakPolarHBondContact O-CD 3.03Å; P268-E270 PolarHBondContact O-N 3.04Å
269A42.6Very low51.8Low106 Ų106134.5 Ų134.588%0.87669%0.694SS**  trans-71.793173.900000109.1V267V267-A269 PolarHBondContact O-N 2.82Å
270E50.6Low49.6Very low172 Ų172136 Ų13680%0.80471%0.712SS**PPolyproline II helixtrans-91.4130.9164.8-73.8-171.6169.600110.4P268P268-E270 PolarHBondContact O-N 3.04Å
271E45.9Very low47.8Very low181 Ų181136 Ų13685%0.84671%0.71SS**PPolyproline II helixtrans-73130.4176.2-69.5-174157.600111.3
272P46.6Very low46.8Very low80 Ų80135.2 Ų135.252%0.51971%0.705SS.*PPolyproline II helixtrans-89.3121.2-179.432.5-30000112
273T51.2Low46.6Very low137 Ų137133.1 Ų133.184%0.8470%0.699SS**  trans-97.317.9176.148.70000114.6
274T48.1Very low46.8Very low103 Ų103130.5 Ų130.563%0.63269%0.691SS**  trans-140.3131.8-178.529.90000114G276 G277T274-G276 PolarHBondContact O-N 3.48Å; T274-G276 VanDerWaalsContact O-N 3.12Å; T274-G277 PolarHBondContact O-N 2.95Å
275W48.3Very low46.5Very low242 Ų242123.3 Ų123.392%0.91766%0.664SS**THydrogen-bonded Turntrans-58.6-23.9-179.9-147.6-35.5000112.9G277 Y278W275-G277 VanDerWaalsContact C-N 3.32Å; W275-G277 PolarHBondContact O-N 2.86Å; W275-Y278 PolarHBondContact O-N 3.49Å
276G48.6Very low46.5Very low65 Ų65118 Ų11867%0.6765%0.651SS**Hα-helixtrans-69.3-21.8173.600000114.9T274 Y278T274-G276 PolarHBondContact O-N 3.48Å; T274-G276 VanDerWaalsContact O-N 3.12Å; G276-Y278 VanDerWaalsContact C-N 3.33Å
277G49.1Very low46.5Very low32 Ų32112.7 Ų112.733%0.3364%0.64SS.*Hα-helixtrans-76-18.6176.800000114T274 W275 K281T274-G277 PolarHBondContact O-N 2.95Å; W275-G277 VanDerWaalsContact C-N 3.32Å; W275-G277 PolarHBondContact O-N 2.86Å; G277-K281 PolarHBondContact O-N 3.2Å; G277-K281 VanDerWaalsContact O-N 3.11Å
278Y50.2Low46.2Very low166 Ų166112 Ų11265%0.65164%0.636SS**Hα-helixtrans-74.6-39.4-177.2-131.9-107.5000112.3W275 G276 K281 V282W275-Y278 PolarHBondContact O-N 3.49Å; G276-Y278 VanDerWaalsContact C-N 3.33Å; Y278-K281 PolarHBondContact O-N 2.9Å; Y278-V282 WeakPolarHBondContact O-CG2 3.26Å; Y278-V282 PolarHBondContact O-N 3.32Å
279L47.7Very low46Very low133 Ų133117.5 Ų117.570%0.69665%0.648SS**Hα-helixtrans-69.3-35.3176.6-96.9140.5000112.5V282 L283L279-V282 PolarHBondContact O-N 3.19Å; L279-L283 PolarHBondContact O-N 2.93Å
280G47.1Very low46Very low42 Ų42116.8 Ų116.843%0.43363%0.629SS.*Hα-helixtrans-66.3-36.8171.600000112.7M284G280-M284 WeakPolarHBondContact O-CG 3.37Å; G280-M284 PolarHBondContact O-N 3Å
281K45.8Very low45.4Very low124 Ų124112 Ų11254%0.53961%0.613SS.*Hα-helixtrans-71.2-32.8174.8-88.4-173.7177.41780113.4G277 Y278 M284 A285G277-K281 PolarHBondContact O-N 3.2Å; G277-K281 VanDerWaalsContact O-N 3.11Å; Y278-K281 PolarHBondContact O-N 2.9Å; K281-M284 PolarHBondContact O-N 3.34Å; K281-A285 WeakPolarHBondContact O-CA 3.25Å; K281-A285 WeakPolarHBondContact O-CB 3.4Å; K281-A285 PolarHBondContact O-N 2.97Å
282V46.3Very low45.6Very low94 Ų94107.8 Ų107.857%0.5760%0.603SS**Hα-helixtrans-70.8-32.1178.3174.70000112Y278 L279 S286Y278-V282 WeakPolarHBondContact O-CG2 3.26Å; Y278-V282 PolarHBondContact O-N 3.32Å; L279-V282 PolarHBondContact O-N 3.19Å; V282-S286 PolarHBondContact O-N 3Å; V282-S286 PolarHBondContact O-OG 2.85Å
283L48.6Very low45.4Very low130 Ų130110.2 Ų110.268%0.68161%0.608SS**Hα-helixtrans-76.1-25.4173.4-83.7154.8000113.7L279 S286L279-L283 PolarHBondContact O-N 2.93Å; L283-S286 PolarHBondContact O-OG 2.71Å; L283-S286 VanDerWaalsContact O-OG 3.11Å
284M47.4Very low45Very low137 Ų137105.5 Ų105.568%0.67558%0.578SS**Hα-helixtrans-91.6-23.7172.9-70.9-71.7179.200113.1G280 K281 T287 T288G280-M284 WeakPolarHBondContact O-CG 3.37Å; G280-M284 PolarHBondContact O-N 3Å; K281-M284 PolarHBondContact O-N 3.34Å; M284-T287 PolarHBondContact O-OG1 2.82Å; M284-T288 PolarHBondContact O-OG1 2.81Å
285A40.8Very low44.7Very low40 Ų40104 Ų10433%0.33157%0.569SS.*Hα-helixtrans-77.6-28.2175.200000111.3K281 T287 T288 Y289K281-A285 WeakPolarHBondContact O-CA 3.25Å; K281-A285 WeakPolarHBondContact O-CB 3.4Å; K281-A285 PolarHBondContact O-N 2.97Å; A285-T287 PolarHBondContact O-N 2.79Å; A285-T288 WeakPolarHBondContact O-CA 3.46Å; A285-T288 WeakPolarHBondContact O-CB 3.29Å; A285-T288 PolarHBondContact O-N 2.86Å; A285-Y289 VanDerWaalsContact O-CD2 3.3Å; A285-Y289 WeakPolarHBondContact O-CD2 3.17Å
286S37.1Very low44.5Very low80 Ų8098.1 Ų98.156%0.55955%0.552SS**THydrogen-bonded Turntrans-69.1-15.5173.659.20000113.6V282 L283V282-S286 PolarHBondContact O-N 3Å; V282-S286 PolarHBondContact O-OG 2.85Å; L283-S286 PolarHBondContact O-OG 2.71Å; L283-S286 VanDerWaalsContact O-OG 3.11Å
287T43.9Very low44.1Very low96 Ų96100.3 Ų100.359%0.58955%0.546SS*.THydrogen-bonded Turntrans-92.5-6.6166.552.90000113.4M284 A285M284-T287 PolarHBondContact O-OG1 2.82Å; A285-T287 PolarHBondContact O-N 2.79Å
288T40.8Very low43.7Very low107 Ų107107.1 Ų107.166%0.65657%0.567SS**THydrogen-bonded Turntrans-92.4-6.3179.3-45.70000112.9M284 A285 L290M284-T288 PolarHBondContact O-OG1 2.81Å; A285-T288 WeakPolarHBondContact O-CA 3.46Å; A285-T288 WeakPolarHBondContact O-CB 3.29Å; A285-T288 PolarHBondContact O-N 2.86Å; T288-L290 VanDerWaalsContact C-N 3.33Å
289Y40.2Very low43.4Very low200 Ų200104.1 Ų104.178%0.78457%0.566SS**  trans-91.618.1174.6-79.6-79.4000114.2A285 P291A285-Y289 VanDerWaalsContact O-CD2 3.3Å; A285-Y289 WeakPolarHBondContact O-CD2 3.17Å; Y289-P291 WeakPolarHBondContact O-CD 3.48Å
290L41.1Very low43.3Very low92 Ų92101.8 Ų101.848%0.48255%0.552SS.*SBendtrans-81.8121.3160.8-71.9172.9000107.5T288 S292 V294T288-L290 VanDerWaalsContact C-N 3.33Å; L290-S292 PolarHBondContact O-N 2.82Å; L290-V294 HydrophobicContact CB-CB 4.42Å; L290-V294 HydrophobicContact CD2-CB 4.39Å; L290-V294 HydrophobicContact CD2-CG1 3.82Å
291P39.2Very low43.6Very low72 Ų72100.6 Ų100.647%0.46854%0.539SS..  trans-49.9143.7172.9-22.529.9000109.5Y289 Q293 V294 T295Y289-P291 WeakPolarHBondContact O-CD 3.48Å; P291-Q293 PolarHBondContact O-N 3.41Å; P291-V294 HydrophobicContact CB-CG2 4.07Å; P291-V294 HydrophobicContact CG-CG2 3.89Å; P291-V294 WeakPolarHBondContact O-CA 3.26Å; P291-V294 WeakPolarHBondContact O-CB 3.09Å; P291-V294 PolarHBondContact O-N 2.8Å; P291-T295 PolarHBondContact O-N 2.99Å
292S48.9Very low44.9Very low92 Ų92105.9 Ų105.964%0.64356%0.556SS**Hα-helixtrans-50.2-32.9176.149.80000112.5L290 V294 T295 E296L290-S292 PolarHBondContact O-N 2.82Å; S292-V294 VanDerWaalsContact C-N 3.32Å; S292-V294 PolarHBondContact O-N 2.89Å; S292-T295 PolarHBondContact O-N 2.85Å; S292-E296 WeakPolarHBondContact O-CG 3.36Å; S292-E296 PolarHBondContact O-N 3.02Å
293Q43.6Very low46.8Very low131 Ų131102.6 Ų102.661%0.61254%0.539SS*.Hα-helixtrans-59-38.8171.8-65.9169-3.800112.5P291 M297P291-Q293 PolarHBondContact O-N 3.41Å; Q293-M297 HydrophobicContact CB-CE 3.66Å; Q293-M297 WeakPolarHBondContact O-CE 3.34Å; Q293-M297 WeakPolarHBondContact O-CG 3.46Å; Q293-M297 PolarHBondContact O-N 3.27Å
294V42.8Very low49Very low38 Ų3898.4 Ų98.423%0.2352%0.515CS..Hα-helixtrans-78.8-31.8-178.9-175.30000111.9L290 P291 S292 M297 F298L290-V294 HydrophobicContact CB-CB 4.42Å; L290-V294 HydrophobicContact CD2-CB 4.39Å; L290-V294 HydrophobicContact CD2-CG1 3.82Å; P291-V294 HydrophobicContact CB-CG2 4.07Å; P291-V294 HydrophobicContact CG-CG2 3.89Å; P291-V294 WeakPolarHBondContact O-CA 3.26Å; P291-V294 WeakPolarHBondContact O-CB 3.09Å; P291-V294 PolarHBondContact O-N 2.8Å; S292-V294 VanDerWaalsContact C-N 3.32Å; S292-V294 PolarHBondContact O-N 2.89Å; V294-M297 HydrophobicContact CG2-CE 4.21Å; V294-M297 WeakPolarHBondContact O-CB 3.32Å; V294-M297 PolarHBondContact O-N 3.48Å; V294-F298 HydrophobicContact CG1-CD2 4.09Å; V294-F298 HydrophobicContact CG1-CE2 4.26Å; V294-F298 WeakPolarHBondContact O-CD2 3.21Å; V294-F298 PolarHBondContact O-N 2.93Å
295T42.4Very low51.2Low72 Ų7292 Ų9244%0.44248%0.483SS..Hα-helixtrans-72.4-36.3172.7-53.30000111.9P291 S292 M297 F298 T299P291-T295 PolarHBondContact O-N 2.99Å; S292-T295 PolarHBondContact O-N 2.85Å; T295-M297 VanDerWaalsContact C-N 3.31Å; T295-F298 PolarHBondContact O-N 3.14Å; T295-T299 PolarHBondContact O-N 3.22Å; T295-T299 VanDerWaalsContact O-N 3.17Å; T295-T299 PolarHBondContact O-OG1 2.98Å
296E42.4Very low53.8Low118 Ų11892.3 Ų92.355%0.55148%0.481SS*.Hα-helixtrans-62-38.1166.7-77.7-177.316600111.5S292 F298 T299 Q300S292-E296 WeakPolarHBondContact O-CG 3.36Å; S292-E296 PolarHBondContact O-N 3.02Å; E296-F298 VanDerWaalsContact C-N 3.33Å; E296-F298 PolarHBondContact O-N 3.06Å; E296-T299 PolarHBondContact O-N 3.3Å; E296-Q300 WeakPolarHBondContact O-CB 3.37Å; E296-Q300 WeakPolarHBondContact O-CG 3.1Å; E296-Q300 PolarHBondContact O-N 3.14Å
297M41.8Very low56.6Low111 Ų11188.5 Ų88.555%0.54746%0.455SS..Hα-helixtrans-65.8-31.3174.7-74170.5-123.600113.5Q293 V294 T295Q293-M297 HydrophobicContact CB-CE 3.66Å; Q293-M297 WeakPolarHBondContact O-CE 3.34Å; Q293-M297 WeakPolarHBondContact O-CG 3.46Å; Q293-M297 PolarHBondContact O-N 3.27Å; V294-M297 HydrophobicContact CG2-CE 4.21Å; V294-M297 WeakPolarHBondContact O-CB 3.32Å; V294-M297 PolarHBondContact O-N 3.48Å; T295-M297 VanDerWaalsContact C-N 3.31Å
298F39.8Very low59Low174 Ų17490.9 Ų90.976%0.76345%0.453SS*.Hα-helixtrans-84.4-16.9179.4-95.2-85.8000114.2V294 T295 E296V294-F298 HydrophobicContact CG1-CD2 4.09Å; V294-F298 HydrophobicContact CG1-CE2 4.26Å; V294-F298 WeakPolarHBondContact O-CD2 3.21Å; V294-F298 PolarHBondContact O-N 2.93Å; T295-F298 PolarHBondContact O-N 3.14Å; E296-F298 VanDerWaalsContact C-N 3.33Å; E296-F298 PolarHBondContact O-N 3.06Å
299T42.9Very low61.6Low103 Ų10386 Ų8663%0.63242%0.423SS*.Hα-helixtrans-107.4-10.5175.644.30000113.7T295 E296 G301T295-T299 PolarHBondContact O-N 3.22Å; T295-T299 VanDerWaalsContact O-N 3.17Å; T295-T299 PolarHBondContact O-OG1 2.98Å; E296-T299 PolarHBondContact O-N 3.3Å; T299-G301 PolarHBondContact O-N 2.86Å; T299-G301 VanDerWaalsContact O-N 3.14Å
300Q45.6Very low64.2Low85 Ų8580.4 Ų80.440%0.39741%0.411SS..SBendtrans-65.8109.6170.3-89.2173.110.700111.7E296E296-Q300 WeakPolarHBondContact O-CB 3.37Å; E296-Q300 WeakPolarHBondContact O-CG 3.1Å; E296-Q300 PolarHBondContact O-N 3.14Å
301G54.9Low66.5Low17 Ų1777 Ų7718%0.17539%0.392CS..  trans95.942140.400000117.8T299T299-G301 PolarHBondContact O-N 2.86Å; T299-G301 VanDerWaalsContact O-N 3.14Å
302R72.8Confident68.9Low235 Ų23577.7 Ų77.789%0.88740%0.398SS*.  trans-110.9138.3152.6-69.8-174.2-177.3159.82.5110F304R302-F304 PolarHBondContact O-N 2.92Å
303A86.6Confident70.7Confident25 Ų2576 Ų7621%0.20740%0.395CS..  trans-60.613617200000108.8H255 I256 F257 A305H255-A303 HydrophobicContact CB-CB 3.79Å; I256-A303 CarbonylContact O-C 3.58Å; F257-A303 HydrophobicContact CD1-CB 4.4Å; F257-A303 HydrophobicContact CE1-CB 4.05Å; A303-A305 VanDerWaalsContact C-N 3.27Å; A303-A305 WeakPolarHBondContact CB-O 3.21Å
304F93.2Very high72.8Confident42 Ų4273.6 Ų73.618%0.18438%0.383CS..SBendtrans-60.4-42.5172.4166.6-102.8000110.5Y244 I256 K258 R302 L343 D344 P345 G348 G349Y244-F304 HydrophobicContact CD1-CD1 4.15Å; Y244-F304 HydrophobicContact CD1-CE1 4.39Å; Y244-F304 AromaticContact CE1-CD1 3.72Å; Y244-F304 HydrophobicContact CE1-CD1 3.72Å; Y244-F304 AromaticContact CE1-CE1 3.57Å; Y244-F304 HydrophobicContact CE1-CE1 3.57Å; Y244-F304 HydrophobicContact CE1-CZ 4.26Å; I256-F304 WeakPolarHBondContact O-CA 3.43Å; I256-F304 WeakPolarHBondContact O-CB 3.4Å; I256-F304 PolarHBondContact O-N 3.39Å; K258-F304 HydrophobicContact CB-CB 3.94Å; K258-F304 HydrophobicContact CB-CD2 4.25Å; K258-F304 HydrophobicContact CB-CG 3.99Å; K258-F304 HydrophobicContact CD-CD2 4.07Å; K258-F304 HydrophobicContact CD-CE2 4.14Å; K258-F304 HydrophobicContact CD-CG 4.48Å; R302-F304 PolarHBondContact O-N 2.92Å; F304-L343 HydrophobicContact CD1-CD1 4.43Å; F304-L343 HydrophobicContact CE1-CD1 4.09Å; F304-D344 WeakPolarHBondContact CE1-O 3.49Å; F304-D344 WeakPolarHBondContact CZ-O 3.42Å; F304-P345 WeakPolarHBondContact CZ-O 3.42Å; F304-G348 VanDerWaalsContact CE1-CA 3.45Å; F304-G348 VanDerWaalsContact CZ-N 3.29Å; F304-G349 PolarHBondContact O-N 3.02Å
305A95.1Very high75.2Confident1 Ų176 Ų761%0.00839%0.391CS..EExtended strand (participates in β ladder)trans-137.7153.5172.200000110.8I256 A303 L343 G349I256-A305 HydrophobicContact CB-CB 4.13Å; I256-A305 HydrophobicContact CD1-CB 4.2Å; I256-A305 PolarHBondContact N-O 3.35Å; I256-A305 PolarHBondContact O-N 3.04Å; I256-A305 VanDerWaalsContact O-N 3.12Å; A303-A305 VanDerWaalsContact C-N 3.27Å; A303-A305 WeakPolarHBondContact CB-O 3.21Å; A305-L343 HydrophobicContact CB-CD1 3.41Å; A305-L343 VanDerWaalsContact CB-CD1 3.41Å; A305-G349 CarbonylContact C-O 3.59Å; A305-G349 WeakPolarHBondContact CA-O 3.29Å; A305-G349 VanDerWaalsContact CB-O 3.26Å; A305-G349 WeakPolarHBondContact CB-O 3.38Å
306T95Very high77.7Confident47 Ų4772.7 Ų72.729%0.28837%0.371SS..EExtended strand (participates in β ladder)trans-131.4143.7178.4-58.60000109.7V254 G349 E350 C351V254-T306 CarbonylContact O-C 3.55Å; V254-T306 WeakPolarHBondContact O-CA 3.37Å; T306-G349 PolarHBondContact N-O 2.7Å; T306-E350 CarbonylContact O-C 3.54Å; T306-E350 WeakPolarHBondContact O-CA 3.38Å; T306-C351 PolarHBondContact O-N 3.35Å
307V95.9Very high80.3Confident0 Ų067.6 Ų67.60%035%0.347CS..EExtended strand (participates in β ladder)trans-120.2136.8177.8178.50000108.6T253 V254 I256 L309 L329 Y341 C351T253-V307 CarbonylContact C-O 3.57Å; T253-V307 VanDerWaalsContact CA-O 3.28Å; T253-V307 WeakPolarHBondContact CA-O 3.42Å; V254-V307 HydrophobicContact CB-CB 4.08Å; V254-V307 PolarHBondContact N-O 3.47Å; V254-V307 PolarHBondContact O-N 2.91Å; I256-V307 HydrophobicContact CD1-CG2 4.28Å; V307-L309 HydrophobicContact CG1-CD2 4.49Å; V307-L329 HydrophobicContact CB-CD2 3.97Å; V307-L329 HydrophobicContact CG1-CD2 4.22Å; V307-L329 HydrophobicContact CG2-CD2 3.34Å; V307-Y341 HydrophobicContact CG1-CD1 3.33Å; V307-Y341 HydrophobicContact CG1-CD2 3.65Å; V307-Y341 HydrophobicContact CG1-CE1 3.25Å; V307-Y341 HydrophobicContact CG1-CE2 3.56Å; V307-Y341 HydrophobicContact CG1-CG 3.53Å; V307-Y341 HydrophobicContact CG2-CG 4.47Å; V307-C351 HydrophobicContact CB-CB 4.48Å; V307-C351 HydrophobicContact CG2-CB 3.54Å
308R95.1Very high83Confident146 Ų14662.6 Ų62.655%0.55132%0.323SS*.EExtended strand (participates in β ladder)trans-101.3116.9170.8-160.7168.6-171.4-122.2-5.4110.4E252 Y341E252-R308 CarbonylContact O-C 3.53Å; E252-R308 VanDerWaalsContact O-CA 3.31Å; E252-R308 WeakPolarHBondContact O-CA 3.43Å; E252-R308 IonicContact OE1-CZ 3.58Å; E252-R308 VanDerWaalsContact OE1-CZ 3.25Å; E252-R308 IonicContact OE1-NE 3.31Å; E252-R308 PolarHBondContact OE1-NE 2.76Å; E252-R308 IonicContact OE1-NH2 2.97Å; E252-R308 PolarHBondContact OE1-NH2 2.97Å; E252-R308 IonicContact OE2-CZ 3.27Å; E252-R308 IonicContact OE2-NE 2.67Å; E252-R308 IonicContact OE2-NH2 2.69Å; E252-R308 PolarHBondContact OE2-NH2 3.32Å; R308-Y341 PolarHBondContact O-OH 3.08Å
309L95.1Very high85.7Confident5 Ų554.3 Ų54.33%0.02629%0.287CS..  trans-78.2145.4175.8-60.2172.9000109.4E252 V254 V307 F311 V331 Y341E252-L309 PolarHBondContact O-N 3.31Å; V254-L309 HydrophobicContact CG2-CD1 3.78Å; V254-L309 HydrophobicContact CG2-CD2 4.09Å; V254-L309 HydrophobicContact CG2-CG 4Å; V307-L309 HydrophobicContact CG1-CD2 4.49Å; L309-F311 HydrophobicContact CB-CD1 4.3Å; L309-F311 HydrophobicContact CB-CE1 4.05Å; L309-F311 HydrophobicContact CB-CE2 4.34Å; L309-F311 HydrophobicContact CB-CZ 4.08Å; L309-F311 HydrophobicContact CD1-CE1 4.42Å; L309-F311 HydrophobicContact CD1-CE2 3.83Å; L309-F311 HydrophobicContact CD1-CZ 3.67Å; L309-F311 HydrophobicContact CD2-CE1 4.29Å; L309-F311 HydrophobicContact CD2-CZ 4.21Å; L309-F311 HydrophobicContact CG-CE1 4.48Å; L309-F311 HydrophobicContact CG-CZ 4.2Å; L309-F311 PolarHBondContact O-N 2.97Å; L309-F311 VanDerWaalsContact O-N 3.11Å; L309-V331 HydrophobicContact CD2-CB 4.2Å; L309-V331 HydrophobicContact CD2-CG1 3.94Å; L309-V331 HydrophobicContact CD2-CG2 4.13Å; L309-Y341 HydrophobicContact CD2-CE2 4.13Å
310P93.8Very high88.4Confident83 Ų8349.8 Ų49.854%0.53926%0.259SS..SBendtrans-75.36.5177.931.7-34.1000113.1Y339P310-Y339 HydrophobicContact CG-CD1 4Å; P310-Y339 HydrophobicContact CG-CE1 3.4Å
311F90.8Very high90.8Very high19 Ų1946.3 Ų46.38%0.08324%0.244CC..  trans-140.8162.2-175.863.7-100.5000110.8E252 L309 H314 N316 A333 D335 Y339E252-F311 WeakPolarHBondContact CA-O 3.46Å; E252-F311 WeakPolarHBondContact CB-O 3.26Å; L309-F311 HydrophobicContact CB-CD1 4.3Å; L309-F311 HydrophobicContact CB-CE1 4.05Å; L309-F311 HydrophobicContact CB-CE2 4.34Å; L309-F311 HydrophobicContact CB-CZ 4.08Å; L309-F311 HydrophobicContact CD1-CE1 4.42Å; L309-F311 HydrophobicContact CD1-CE2 3.83Å; L309-F311 HydrophobicContact CD1-CZ 3.67Å; L309-F311 HydrophobicContact CD2-CE1 4.29Å; L309-F311 HydrophobicContact CD2-CZ 4.21Å; L309-F311 HydrophobicContact CG-CE1 4.48Å; L309-F311 HydrophobicContact CG-CZ 4.2Å; L309-F311 PolarHBondContact O-N 2.97Å; L309-F311 VanDerWaalsContact O-N 3.11Å; F311-H314 HydrophobicContact CD2-CB 3.75Å; F311-H314 AromaticContact CD2-CD2 3.82Å; F311-H314 HydrophobicContact CE2-CB 3.94Å; F311-N316 HydrophobicContact CE2-CB 4.46Å; F311-N316 HydrophobicContact CZ-CB 4.3Å; F311-A333 HydrophobicContact CE1-CB 3.66Å; F311-A333 HydrophobicContact CE2-CB 4.12Å; F311-A333 HydrophobicContact CZ-CB 3.39Å; F311-D335 VanDerWaalsContact CD1-OD2 3.29Å; F311-D335 WeakPolarHBondContact CD1-OD2 3.47Å; F311-Y339 AromaticContact CD1-CE2 3.85Å; F311-Y339 HydrophobicContact CD1-CE2 3.85Å; F311-Y339 AromaticContact CE1-CD2 3.83Å; F311-Y339 HydrophobicContact CE1-CD2 3.83Å; F311-Y339 AromaticContact CE1-CE2 3.35Å; F311-Y339 HydrophobicContact CE1-CE2 3.35Å; F311-Y339 AromaticContact CE1-CZ 3.98Å; F311-Y339 HydrophobicContact CZ-CE2 4.44Å
312C89.3Confident92.7Very high87 Ų8750.2 Ų50.259%0.58826%0.264SS*.SBendtrans-134.5155.4171.572.20000110.4E252 H314E252-C312 HydrophobicContact CB-CB 4.42Å; C312-H314 PolarHBondContact O-CD2 3.12Å; C312-H314 VanDerWaalsContact O-CD2 3.32Å; C312-H314 PolarHBondContact O-N 3.45Å; C312-H314 VanDerWaalsContact O-N 3.14Å
313G86.8Confident93.6Very high56 Ų5639.3 Ų39.358%0.57722%0.224SC*.SBendtrans79.9-18.1176.500000116N250N250-G313 WeakPolarHBondContact O-CA 3.42Å; N250-G313 PolarHBondContact O-N 3.16Å
314H87.3Confident93.8Very high81 Ų8143.7 Ų43.738%0.37524%0.24SC..  trans-74.8138.2178-63.3-84.9000112.5F311 C312 N316 A334F311-H314 HydrophobicContact CD2-CB 3.75Å; F311-H314 AromaticContact CD2-CD2 3.82Å; F311-H314 HydrophobicContact CE2-CB 3.94Å; C312-H314 PolarHBondContact O-CD2 3.12Å; C312-H314 VanDerWaalsContact O-CD2 3.32Å; C312-H314 PolarHBondContact O-N 3.45Å; C312-H314 VanDerWaalsContact O-N 3.14Å; H314-N316 PolarHBondContact O-ND2 3.11Å; H314-A334 HydrophobicContact CB-CB 4.48Å
315K92.1Very high93.7Very high90 Ų9051.2 Ų51.239%0.39127%0.272SS..  trans-59.6140.1165.1-74.4-164.9-177.5178.90109.2L3 L6 A334L3-K315 HydrophobicContact CD2-CB 3.85Å; L3-K315 HydrophobicContact CD2-CD 4.02Å; L3-K315 HydrophobicContact CD2-CG 4.5Å; L6-K315 HydrophobicContact CD1-CD 3.74Å; L6-K315 HydrophobicContact CD1-CG 4.04Å; K315-A334 HydrophobicContact CB-CB 4.32Å; K315-A334 WeakPolarHBondContact O-CB 3.11Å; K315-A334 PolarHBondContact O-N 3.44Å
316N95.6Very high93.5Very high2 Ų254.6 Ų54.61%0.01129%0.289CS..EExtended strand (participates in β ladder)trans-150.3161.4-178.960.174.1000110.3C234 S248 S249 F311 H314 V331 A332 A333C234-N316 VanDerWaalsContact CB-O 3.26Å; C234-N316 WeakPolarHBondContact CB-O 3.39Å; S248-N316 WeakPolarHBondContact CB-OD1 3.36Å; S248-N316 PolarHBondContact OG-OD1 3.07Å; S249-N316 PolarHBondContact O-ND2 2.85Å; F311-N316 HydrophobicContact CE2-CB 4.46Å; F311-N316 HydrophobicContact CZ-CB 4.3Å; H314-N316 PolarHBondContact O-ND2 3.11Å; N316-V331 HydrophobicContact CB-CG1 4.01Å; N316-A332 CarbonylContact C-O 3.56Å; N316-A332 VanDerWaalsContact CA-O 3.26Å; N316-A332 WeakPolarHBondContact CA-O 3.33Å; N316-A333 HydrophobicContact CB-CB 4.11Å
317I97.4Very high93.5Very high11 Ų1153.6 Ų53.66%0.05628%0.284CS..EExtended strand (participates in β ladder)trans-127.2143.617050.7168.6000109.2M1 A18 N19 F20 V331 A332M1-I317 HydrophobicContact CB-CG2 3.73Å; M1-I317 HydrophobicContact CG-CD1 4.29Å; M1-I317 HydrophobicContact CG-CG1 4.18Å; M1-I317 HydrophobicContact CG-CG2 3.92Å; M1-I317 HydrophobicContact SD-CG1 4.32Å; M1-I317 HydrophobicContact SD-CG2 4.44Å; A18-I317 HydrophobicContact CB-CD1 4.43Å; A18-I317 VanDerWaalsContact O-CD1 3.26Å; A18-I317 WeakPolarHBondContact O-CD1 3.48Å; N19-I317 VanDerWaalsContact CA-CD1 3.47Å; F20-I317 HydrophobicContact CD2-CD1 3.77Å; F20-I317 HydrophobicContact CD2-CG1 4.21Å; F20-I317 HydrophobicContact CE2-CB 4.43Å; F20-I317 HydrophobicContact CE2-CD1 3.87Å; F20-I317 HydrophobicContact CE2-CG1 3.88Å; I317-V331 CarbonylContact O-C 3.59Å; I317-V331 WeakPolarHBondContact O-CA 3.13Å; I317-A332 HydrophobicContact CD1-CB 4.27Å; I317-A332 HydrophobicContact CG1-CB 3.91Å; I317-A332 PolarHBondContact N-O 3.43Å; I317-A332 PolarHBondContact O-N 3.47Å
318C97.7Very high93.5Very high5 Ų554 Ų543%0.03429%0.285CS..EExtended strand (participates in β ladder)trans-115.9151.9177.757.20000111.2S235 A237 S246 L329 L330 V331S235-C318 PolarHBondContact OG-N 2.91Å; A237-C318 VanDerWaalsContact CB-O 3.23Å; A237-C318 WeakPolarHBondContact CB-O 3.48Å; S246-C318 PolarHBondContact OG-SG 2.8Å; S246-C318 VanDerWaalsContact OG-SG 3.37Å; C318-L329 HydrophobicContact CB-CD1 4.14Å; C318-L330 CarbonylContact C-O 3.46Å; C318-L330 VanDerWaalsContact CA-O 3.25Å; C318-L330 WeakPolarHBondContact CA-O 3.39Å; C318-V331 HydrophobicContact CB-CG2 4.35Å
319A98.1Very high93.7Very high1 Ų147 Ų471%0.00826%0.259CS..EExtended strand (participates in β ladder)trans-144146.1171.100000110F20 N24 L330F20-A319 HydrophobicContact CB-CB 4.26Å; F20-A319 HydrophobicContact CD1-CB 3.95Å; F20-A319 HydrophobicContact CD2-CB 3.46Å; F20-A319 VanDerWaalsContact CD2-CB 3.46Å; F20-A319 HydrophobicContact CE1-CB 4.14Å; F20-A319 HydrophobicContact CE2-CB 3.68Å; F20-A319 HydrophobicContact CG-CB 3.61Å; F20-A319 HydrophobicContact CZ-CB 4.02Å; N24-A319 HydrophobicContact CB-CB 4.27Å; A319-L330 HydrophobicContact CB-CB 4.44Å; A319-L330 PolarHBondContact N-O 2.94Å; A319-L330 PolarHBondContact O-N 3.39Å
320L97.6Very high93.8Very high8 Ų846.8 Ų46.84%0.04226%0.258CS..EExtended strand (participates in β ladder)trans-104.8118.7171.8-71.9166.8000108.4N24 I256 L329 L343N24-L320 PolarHBondContact ND2-O 3.31Å; I256-L320 HydrophobicContact CD1-CD2 4.33Å; L320-L329 HydrophobicContact CD2-CB 4.21Å; L320-L329 HydrophobicContact CD2-CD1 3.75Å; L320-L329 HydrophobicContact CG-CD1 4.18Å; L320-L343 HydrophobicContact CD2-CD2 4.18Å
321A96.1Very high94Very high11 Ų1142.8 Ų42.89%0.09123%0.232CC..EExtended strand (participates in β ladder)trans-130.8149.9-176.700000110.6N24 I323 P327 R328 L330N24-A321 HydrophobicContact CB-CB 3.99Å; A321-I323 HydrophobicContact CB-CG1 4.32Å; A321-P327 CarbonylContact O-C 3.46Å; A321-R328 PolarHBondContact N-O 3.31Å; A321-R328 PolarHBondContact O-N 3.24Å; A321-L330 HydrophobicContact CB-CD1 3.83Å; A321-L330 HydrophobicContact CB-CG 4.43Å
322V94.7Very high94.3Very high100 Ų10041.9 Ų41.961%0.60623%0.228SC*.EExtended strand (participates in β ladder)trans-96.7108.3171.5179.50000108.1I326V322-I326 WeakPolarHBondContact CA-O 3.41Å
323I93.7Very high94.6Very high6 Ų637.8 Ų37.83%0.03120%0.2CC..EExtended strand (participates in β ladder)trans-113.4119.4179.7-57175.2000108.3L40 V43 A321 K325 I326 R328 L330 L340L40-I323 VanDerWaalsContact O-CD1 3.31Å; L40-I323 WeakPolarHBondContact O-CD1 3.43Å; L40-I323 WeakPolarHBondContact O-CG1 3.38Å; V43-I323 HydrophobicContact CG2-CB 4.38Å; V43-I323 HydrophobicContact CG2-CD1 4.18Å; V43-I323 HydrophobicContact CG2-CG2 3.79Å; A321-I323 HydrophobicContact CB-CG1 4.32Å; I323-K325 VanDerWaalsContact C-N 3.32Å; I323-K325 PolarHBondContact O-N 3.16Å; I323-I326 PolarHBondContact N-O 3.39Å; I323-I326 PolarHBondContact O-N 3.22Å; I323-R328 PolarHBondContact O-NE 2.91Å; I323-R328 PolarHBondContact O-NH2 3.49Å; I323-L330 HydrophobicContact CD1-CD1 4.39Å; I323-L330 HydrophobicContact CD1-CD2 3.94Å; I323-L340 HydrophobicContact CD1-CD2 4.32Å
324Q89.6Confident94.9Very high116 Ų11635.9 Ų35.954%0.54218%0.179SC..THydrogen-bonded Turntrans55.444.9-175.1-57.9165.7-23.400112.4I326Q324-I326 PolarHBondContact O-N 3.47Å
325K90.2Very high95.1Very high200 Ų20034.1 Ų34.187%0.8717%0.172SC*.THydrogen-bonded Turntrans66.95.9-178.9-52.4179.5178.7178.90116I323I323-K325 VanDerWaalsContact C-N 3.32Å; I323-K325 PolarHBondContact O-N 3.16Å
326I92.4Very high95.1Very high72 Ų7229.9 Ų29.937%0.36916%0.155SC..EExtended strand (participates in β ladder)trans-111.8130.4178.4-57.1174.1000108.5V322 I323 Q324 N342V322-I326 WeakPolarHBondContact CA-O 3.41Å; I323-I326 PolarHBondContact N-O 3.39Å; I323-I326 PolarHBondContact O-N 3.22Å; Q324-I326 PolarHBondContact O-N 3.47Å; I326-N342 WeakPolarHBondContact CG2-OD1 3.36Å
327P94.3Very high95Very high26 Ų2633.1 Ų33.117%0.16917%0.167CC..EExtended strand (participates in β ladder)trans-68.3134.2173.828.3-31.4000110.1A321 L343 P345A321-P327 CarbonylContact O-C 3.46Å; P327-L343 HydrophobicContact CB-CD2 4.39Å; P327-L343 WeakPolarHBondContact O-CB 3.28Å; P327-L343 PolarHBondContact O-N 2.98Å; P327-P345 HydrophobicContact CG-CB 4.06Å; P327-P345 HydrophobicContact CG-CG 4.1Å
328R96.4Very high95Very high8 Ų832.7 Ų32.73%0.0317%0.165CC..EExtended strand (participates in β ladder)trans-134.9146-178.4-58.4-170.3-156.7-152.813.1109.7A321 I323 Y341 M354A321-R328 PolarHBondContact N-O 3.31Å; A321-R328 PolarHBondContact O-N 3.24Å; I323-R328 PolarHBondContact O-NE 2.91Å; I323-R328 PolarHBondContact O-NH2 3.49Å; R328-Y341 VanDerWaalsContact CA-O 3.27Å; R328-Y341 WeakPolarHBondContact CA-O 3.31Å; R328-Y341 WeakPolarHBondContact CB-O 3.48Å; R328-M354 PolarHBondContact NH1-SD 3.01Å
329L98Very high95Very high0 Ų033 Ų330%017%0.165CC..EExtended strand (participates in β ladder)trans-92.3127.9168.3-178.778.3000108.6V254 I256 V307 C318 L320 V331 Y341V254-L329 HydrophobicContact CB-CD2 4.01Å; V254-L329 HydrophobicContact CG1-CD1 4.45Å; V254-L329 HydrophobicContact CG1-CD2 3.8Å; V254-L329 HydrophobicContact CG2-CD2 4.41Å; I256-L329 HydrophobicContact CD1-CB 4.3Å; I256-L329 HydrophobicContact CD1-CD1 4.44Å; I256-L329 HydrophobicContact CD1-CD2 4.33Å; V307-L329 HydrophobicContact CB-CD2 3.97Å; V307-L329 HydrophobicContact CG1-CD2 4.22Å; V307-L329 HydrophobicContact CG2-CD2 3.34Å; C318-L329 HydrophobicContact CB-CD1 4.14Å; L320-L329 HydrophobicContact CD2-CB 4.21Å; L320-L329 HydrophobicContact CD2-CD1 3.75Å; L320-L329 HydrophobicContact CG-CD1 4.18Å; L329-V331 HydrophobicContact CD2-CG2 3.83Å; L329-V331 HydrophobicContact CG-CG2 4Å; L329-Y341 PolarHBondContact N-O 3.41Å; L329-Y341 PolarHBondContact O-N 2.8Å
330L98.3Very high95Very high0 Ų033 Ų330%017%0.165CC..EExtended strand (participates in β ladder)trans-107.7133.6173.3-54.4177.3000108.4F20 L40 C318 A319 A321 I323 L338 Y339 L340F20-L330 HydrophobicContact CE1-CB 3.8Å; F20-L330 HydrophobicContact CE1-CD1 3.95Å; F20-L330 HydrophobicContact CZ-CB 3.68Å; L40-L330 HydrophobicContact CB-CD1 4.41Å; L40-L330 HydrophobicContact CD1-CD1 3.83Å; L40-L330 HydrophobicContact CD2-CD1 4.43Å; L40-L330 HydrophobicContact CG-CD1 4.45Å; C318-L330 CarbonylContact C-O 3.46Å; C318-L330 VanDerWaalsContact CA-O 3.25Å; C318-L330 WeakPolarHBondContact CA-O 3.39Å; A319-L330 HydrophobicContact CB-CB 4.44Å; A319-L330 PolarHBondContact N-O 2.94Å; A319-L330 PolarHBondContact O-N 3.39Å; A321-L330 HydrophobicContact CB-CD1 3.83Å; A321-L330 HydrophobicContact CB-CG 4.43Å; I323-L330 HydrophobicContact CD1-CD1 4.39Å; I323-L330 HydrophobicContact CD1-CD2 3.94Å; L330-L338 HydrophobicContact CB-CD1 4.35Å; L330-Y339 CarbonylContact C-O 3.44Å; L330-Y339 WeakPolarHBondContact CA-O 3.44Å; L330-L340 HydrophobicContact CD2-CB 4.27Å; L330-L340 HydrophobicContact CD2-CD2 3.57Å; L330-L340 HydrophobicContact CD2-CG 3.48Å; L330-L340 VanDerWaalsContact CD2-CG 3.48Å
331V98.3Very high95Very high0 Ų032.8 Ų32.80%016%0.164CC..EExtended strand (participates in β ladder)trans-131.6112.2176.7-175.10000109.3V254 L309 N316 I317 C318 L329 L338 Y339V254-V331 HydrophobicContact CG2-CG2 4.33Å; L309-V331 HydrophobicContact CD2-CB 4.2Å; L309-V331 HydrophobicContact CD2-CG1 3.94Å; L309-V331 HydrophobicContact CD2-CG2 4.13Å; N316-V331 HydrophobicContact CB-CG1 4.01Å; I317-V331 CarbonylContact O-C 3.59Å; I317-V331 WeakPolarHBondContact O-CA 3.13Å; C318-V331 HydrophobicContact CB-CG2 4.35Å; L329-V331 HydrophobicContact CD2-CG2 3.83Å; L329-V331 HydrophobicContact CG-CG2 4Å; V331-L338 CarbonylContact O-C 3.57Å; V331-L338 WeakPolarHBondContact O-CA 3.38Å; V331-Y339 PolarHBondContact N-O 3.01Å; V331-Y339 PolarHBondContact O-N 3.27Å
332A97.3Very high95Very high0 Ų034.7 Ų34.70%017%0.173CC..EExtended strand (participates in β ladder)trans-97.1130.1170.800000109.3F20 L27 N316 I317 Y337 L338F20-A332 HydrophobicContact CE2-CB 4.42Å; F20-A332 HydrophobicContact CZ-CB 4.18Å; L27-A332 HydrophobicContact CD1-CB 4.1Å; L27-A332 HydrophobicContact CD2-CB 4.37Å; N316-A332 CarbonylContact C-O 3.56Å; N316-A332 VanDerWaalsContact CA-O 3.26Å; N316-A332 WeakPolarHBondContact CA-O 3.33Å; I317-A332 HydrophobicContact CD1-CB 4.27Å; I317-A332 HydrophobicContact CG1-CB 3.91Å; I317-A332 PolarHBondContact N-O 3.43Å; I317-A332 PolarHBondContact O-N 3.47Å; A332-Y337 WeakPolarHBondContact CA-O 3.34Å; A332-L338 HydrophobicContact CB-CD1 4.14Å
333A95.2Very high95Very high0 Ų030 Ų300%014%0.144CC..EExtended strand (participates in β ladder)trans-124.6159-17100000112.8F311 N316 D335 G336 Y337 Y339F311-A333 HydrophobicContact CE1-CB 3.66Å; F311-A333 HydrophobicContact CE2-CB 4.12Å; F311-A333 HydrophobicContact CZ-CB 3.39Å; N316-A333 HydrophobicContact CB-CB 4.11Å; A333-D335 WeakPolarHBondContact CB-OD1 3.33Å; A333-D335 PolarHBondContact O-N 2.89Å; A333-G336 PolarHBondContact O-N 3.43Å; A333-G336 VanDerWaalsContact O-N 3.14Å; A333-Y337 PolarHBondContact N-O 2.95Å; A333-Y339 HydrophobicContact CB-CE2 4.18Å
334A92.6Very high95Very high17 Ų1732.6 Ų32.614%0.1416%0.158CC..THydrogen-bonded Turntrans-68.1-16-176.100000113.7L3 H314 K315 G336L3-A334 HydrophobicContact CD1-CB 3.77Å; L3-A334 HydrophobicContact CD2-CB 3.89Å; L3-A334 HydrophobicContact CG-CB 4.49Å; H314-A334 HydrophobicContact CB-CB 4.48Å; K315-A334 HydrophobicContact CB-CB 4.32Å; K315-A334 WeakPolarHBondContact O-CB 3.11Å; K315-A334 PolarHBondContact O-N 3.44Å; A334-G336 PolarHBondContact O-N 3.16Å
335D90.8Very high95Very high43 Ų4329.7 Ų29.723%0.2315%0.149CC..THydrogen-bonded Turntrans-69.1-5.6171.158.98.1000113.5F311 A333 Y337 Y339F311-D335 VanDerWaalsContact CD1-OD2 3.29Å; F311-D335 WeakPolarHBondContact CD1-OD2 3.47Å; A333-D335 WeakPolarHBondContact CB-OD1 3.33Å; A333-D335 PolarHBondContact O-N 2.89Å; D335-Y337 HydrophobicContact CB-CD2 4.33Å; D335-Y337 PolarHBondContact OD1-N 2.85Å; D335-Y337 VanDerWaalsContact OD1-N 3.08Å; D335-Y339 PolarHBondContact OD2-OH 2.97Å; D335-Y339 VanDerWaalsContact OD2-OH 3.04Å
336G92.2Very high94.9Very high2 Ų228.1 Ų28.12%0.02115%0.145CC..SBendtrans93.112177.400000114.2A333 A334 L359A333-G336 PolarHBondContact O-N 3.43Å; A333-G336 VanDerWaalsContact O-N 3.14Å; A334-G336 PolarHBondContact O-N 3.16Å; G336-L359 WeakPolarHBondContact O-CB 3.15Å; G336-L359 WeakPolarHBondContact O-CG 3.43Å; G336-L359 PolarHBondContact O-N 3.42Å
337Y94.9Very high94.8Very high70 Ų7032.7 Ų32.728%0.27517%0.165SC..EExtended strand (participates in β ladder)trans-113152.1-179.3-69-91000113.4A332 A333 D335 Y339 H357 R358A332-Y337 WeakPolarHBondContact CA-O 3.34Å; A333-Y337 PolarHBondContact N-O 2.95Å; D335-Y337 HydrophobicContact CB-CD2 4.33Å; D335-Y337 PolarHBondContact OD1-N 2.85Å; D335-Y337 VanDerWaalsContact OD1-N 3.08Å; Y337-Y339 VanDerWaalsContact CB-CE2 3.43Å; Y337-Y339 VanDerWaalsContact CB-CZ 3.44Å; Y337-Y339 WeakPolarHBondContact CB-OH 3.22Å; Y337-H357 CarbonylContact C-O 3.58Å; Y337-H357 WeakPolarHBondContact CA-O 3.48Å; Y337-R358 HydrophobicContact CD1-CB 4.37Å; Y337-R358 HydrophobicContact CE1-CB 4.08Å; Y337-R358 HydrophobicContact CE1-CG 4.28Å
338L97.4Very high94.6Very high1 Ų132 Ų321%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-110.4119.1164.5173.569.6000108.9F20 L27 L40 L46 L330 V331 A332 L340 Q356 H357 L359F20-L338 HydrophobicContact CE1-CD1 4.14Å; F20-L338 HydrophobicContact CZ-CD1 4.01Å; L27-L338 HydrophobicContact CD2-CD1 4.43Å; L27-L338 HydrophobicContact CD2-CD2 4.34Å; L40-L338 HydrophobicContact CD2-CD2 3.63Å; L46-L338 HydrophobicContact CD1-CD2 3.76Å; L46-L338 HydrophobicContact CD2-CD2 4.35Å; L330-L338 HydrophobicContact CB-CD1 4.35Å; V331-L338 CarbonylContact O-C 3.57Å; V331-L338 WeakPolarHBondContact O-CA 3.38Å; A332-L338 HydrophobicContact CB-CD1 4.14Å; L338-L340 HydrophobicContact CD2-CD1 4.12Å; L338-L340 HydrophobicContact CG-CD1 3.9Å; L338-Q356 CarbonylContact O-C 3.12Å; L338-Q356 WeakPolarHBondContact O-CA 3.12Å; L338-H357 HydrophobicContact CB-CB 4.45Å; L338-H357 PolarHBondContact N-O 3.28Å; L338-H357 PolarHBondContact O-N 3.29Å; L338-L359 HydrophobicContact CB-CD2 4Å; L338-L359 HydrophobicContact CB-CG 4.47Å
339Y97.8Very high94.4Very high11 Ų1133.4 Ų33.44%0.04318%0.179CC..EExtended strand (participates in β ladder)trans-103.6135.8178.5-57.1-86000110.8P310 F311 L330 V331 A333 D335 Y337 L353 Q356P310-Y339 HydrophobicContact CG-CD1 4Å; P310-Y339 HydrophobicContact CG-CE1 3.4Å; F311-Y339 AromaticContact CD1-CE2 3.85Å; F311-Y339 HydrophobicContact CD1-CE2 3.85Å; F311-Y339 AromaticContact CE1-CD2 3.83Å; F311-Y339 HydrophobicContact CE1-CD2 3.83Å; F311-Y339 AromaticContact CE1-CE2 3.35Å; F311-Y339 HydrophobicContact CE1-CE2 3.35Å; F311-Y339 AromaticContact CE1-CZ 3.98Å; F311-Y339 HydrophobicContact CZ-CE2 4.44Å; L330-Y339 CarbonylContact C-O 3.44Å; L330-Y339 WeakPolarHBondContact CA-O 3.44Å; V331-Y339 PolarHBondContact N-O 3.01Å; V331-Y339 PolarHBondContact O-N 3.27Å; A333-Y339 HydrophobicContact CB-CE2 4.18Å; D335-Y339 PolarHBondContact OD2-OH 2.97Å; D335-Y339 VanDerWaalsContact OD2-OH 3.04Å; Y337-Y339 VanDerWaalsContact CB-CE2 3.43Å; Y337-Y339 VanDerWaalsContact CB-CZ 3.44Å; Y337-Y339 WeakPolarHBondContact CB-OH 3.22Å; Y339-L353 HydrophobicContact CD1-CD1 4.06Å; Y339-Q356 HydrophobicContact CD1-CB 3.88Å; Y339-Q356 HydrophobicContact CE1-CB 3.96Å
340L97.8Very high94.2Very high2 Ų240.6 Ų40.61%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-119.7125.3-179.4-67.987.5000109.9V43 I323 L330 L338 M354 K355V43-L340 HydrophobicContact CB-CD2 4.11Å; V43-L340 HydrophobicContact CG1-CB 4.49Å; V43-L340 HydrophobicContact CG1-CD2 4.07Å; V43-L340 HydrophobicContact CG2-CD2 3.6Å; I323-L340 HydrophobicContact CD1-CD2 4.32Å; L330-L340 HydrophobicContact CD2-CB 4.27Å; L330-L340 HydrophobicContact CD2-CD2 3.57Å; L330-L340 HydrophobicContact CD2-CG 3.48Å; L330-L340 VanDerWaalsContact CD2-CG 3.48Å; L338-L340 HydrophobicContact CD2-CD1 4.12Å; L338-L340 HydrophobicContact CG-CD1 3.9Å; L340-M354 WeakPolarHBondContact O-CB 3.27Å; L340-M354 PolarHBondContact O-N 3.17Å; L340-K355 PolarHBondContact N-O 2.8Å; L340-K355 PolarHBondContact O-N 3.14Å
341Y97.9Very high94.1Very high4 Ų441 Ų412%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-121.7142.7-179.3-64.8-97.1000111.2V307 R308 L309 R328 L329 T352 L353V307-Y341 HydrophobicContact CG1-CD1 3.33Å; V307-Y341 HydrophobicContact CG1-CD2 3.65Å; V307-Y341 HydrophobicContact CG1-CE1 3.25Å; V307-Y341 HydrophobicContact CG1-CE2 3.56Å; V307-Y341 HydrophobicContact CG1-CG 3.53Å; V307-Y341 HydrophobicContact CG2-CG 4.47Å; R308-Y341 PolarHBondContact O-OH 3.08Å; L309-Y341 HydrophobicContact CD2-CE2 4.13Å; R328-Y341 VanDerWaalsContact CA-O 3.27Å; R328-Y341 WeakPolarHBondContact CA-O 3.31Å; R328-Y341 WeakPolarHBondContact CB-O 3.48Å; L329-Y341 PolarHBondContact N-O 3.41Å; L329-Y341 PolarHBondContact O-N 2.8Å; Y341-T352 VanDerWaalsContact CA-O 3.29Å; Y341-T352 WeakPolarHBondContact CA-O 3.49Å; Y341-T352 WeakPolarHBondContact CD1-O 3.38Å; Y341-L353 VanDerWaalsContact CD1-CA 3.46Å; Y341-L353 HydrophobicContact CD1-CB 3.98Å; Y341-L353 HydrophobicContact CD1-CD1 4.32Å; Y341-L353 HydrophobicContact CD2-CD1 4.35Å; Y341-L353 HydrophobicContact CE1-CB 3.56Å; Y341-L353 HydrophobicContact CE1-CD1 3.85Å; Y341-L353 HydrophobicContact CE1-CG 4.28Å; Y341-L353 HydrophobicContact CE2-CD1 3.89Å
342N95.3Very high93.9Very high50 Ų5045.5 Ų45.527%0.26724%0.243SC..EExtended strand (participates in β ladder)trans-80.2130.6174.1-163.647.4000110.2I326 C351 T352 M354I326-N342 WeakPolarHBondContact CG2-OD1 3.36Å; N342-C351 WeakPolarHBondContact O-CB 3.41Å; N342-T352 PolarHBondContact N-O 3.14Å; N342-T352 VanDerWaalsContact N-O 3.14Å; N342-M354 HydrophobicContact CB-CG 4.03Å; N342-M354 HydrophobicContact CB-SD 3.74Å
343L94.9Very high93.8Very high1 Ų149.2 Ų49.21%0.00526%0.263CS..  trans-107.4120.917217562.2000108.7I256 F304 A305 L320 P327 P345I256-L343 HydrophobicContact CD1-CD1 3.9Å; I256-L343 HydrophobicContact CD1-CD2 4.23Å; I256-L343 HydrophobicContact CG2-CD2 4.24Å; F304-L343 HydrophobicContact CD1-CD1 4.43Å; F304-L343 HydrophobicContact CE1-CD1 4.09Å; A305-L343 HydrophobicContact CB-CD1 3.41Å; A305-L343 VanDerWaalsContact CB-CD1 3.41Å; L320-L343 HydrophobicContact CD2-CD2 4.18Å; P327-L343 HydrophobicContact CB-CD2 4.39Å; P327-L343 WeakPolarHBondContact O-CB 3.28Å; P327-L343 PolarHBondContact O-N 2.98Å; L343-P345 VanDerWaalsContact O-CD 3.3Å; L343-P345 WeakPolarHBondContact O-CD 3.49Å
344D93.3Very high93.8Very high62 Ų6253.1 Ų53.133%0.33228%0.282SS..  trans-77.6115.4168.6-167.3-47.6000109.4F304 Q346 E347 G348F304-D344 WeakPolarHBondContact CE1-O 3.49Å; F304-D344 WeakPolarHBondContact CZ-O 3.42Å; D344-Q346 VanDerWaalsContact C-N 3.28Å; D344-Q346 PolarHBondContact O-N 3.14Å; D344-Q346 WeakPolarHBondContact OD1-CA 3.44Å; D344-Q346 WeakPolarHBondContact OD1-CB 3.46Å; D344-Q346 PolarHBondContact OD1-N 2.84Å; D344-E347 PolarHBondContact OD1-N 2.8Å; D344-G348 WeakPolarHBondContact O-CA 3.01Å; D344-G348 PolarHBondContact O-N 3.32Å; D344-G348 VanDerWaalsContact O-N 3.12Å
345P89.9Confident94Very high54 Ų5454.8 Ų54.835%0.35129%0.286SS..THydrogen-bonded Turntrans-73.2-18.4-178.929.3-33.6000113.9Y244 F304 P327 L343Y244-P345 WeakPolarHBondContact OH-CA 3.27Å; Y244-P345 WeakPolarHBondContact OH-CB 3.47Å; Y244-P345 PolarHBondContact OH-O 2.86Å; Y244-P345 VanDerWaalsContact OH-O 3.06Å; F304-P345 WeakPolarHBondContact CZ-O 3.42Å; P327-P345 HydrophobicContact CG-CB 4.06Å; P327-P345 HydrophobicContact CG-CG 4.1Å; L343-P345 VanDerWaalsContact O-CD 3.3Å; L343-P345 WeakPolarHBondContact O-CD 3.49Å
346Q88.8Confident94.2Very high168 Ų16856.2 Ų56.279%0.78529%0.291SS*.THydrogen-bonded Turntrans-90.3-57.3-177.7-60.1-172.21.500111.1D344D344-Q346 VanDerWaalsContact C-N 3.28Å; D344-Q346 PolarHBondContact O-N 3.14Å; D344-Q346 WeakPolarHBondContact OD1-CA 3.44Å; D344-Q346 WeakPolarHBondContact OD1-CB 3.46Å; D344-Q346 PolarHBondContact OD1-N 2.84Å
347E88.9Confident94.4Very high167 Ų16756.6 Ų56.678%0.7829%0.293SS*.THydrogen-bonded Turntrans-93.9-27.1-173.1-61.9-163.7152.100113.1D344 G349D344-E347 PolarHBondContact OD1-N 2.8Å; E347-G349 PolarHBondContact O-N 3.47Å
348G91.1Very high94.3Very high12 Ų1258 Ų5812%0.12430%0.297CS..  trans66.7-128.2-17300000111.5F304 D344F304-G348 VanDerWaalsContact CE1-CA 3.45Å; F304-G348 VanDerWaalsContact CZ-N 3.29Å; D344-G348 WeakPolarHBondContact O-CA 3.01Å; D344-G348 PolarHBondContact O-N 3.32Å; D344-G348 VanDerWaalsContact O-N 3.12Å
349G92.1Very high94Very high37 Ų3758 Ų5838%0.38130%0.298SS..EExtended strand (participates in β ladder)trans82.6-153.817600000114.7F304 A305 T306 E347 C351F304-G349 PolarHBondContact O-N 3.02Å; A305-G349 CarbonylContact C-O 3.59Å; A305-G349 WeakPolarHBondContact CA-O 3.29Å; A305-G349 VanDerWaalsContact CB-O 3.26Å; A305-G349 WeakPolarHBondContact CB-O 3.38Å; T306-G349 PolarHBondContact N-O 2.7Å; E347-G349 PolarHBondContact O-N 3.47Å; G349-C351 PolarHBondContact O-N 2.85Å
350E94.1Very high92.9Very high151 Ų15159.5 Ų59.571%0.70631%0.306SS*.EExtended strand (participates in β ladder)trans-78.8120.1179.4-171.5172.6-175.100110.6T306T306-E350 CarbonylContact O-C 3.54Å; T306-E350 WeakPolarHBondContact O-CA 3.38Å
351C95.4Very high91.1Very high8 Ų862.5 Ų62.55%0.05433%0.328CS..EExtended strand (participates in β ladder)trans-82.4134.9-179.7-57.20000110.9T306 V307 N342 G349T306-C351 PolarHBondContact O-N 3.35Å; V307-C351 HydrophobicContact CB-CB 4.48Å; V307-C351 HydrophobicContact CG2-CB 3.54Å; N342-C351 WeakPolarHBondContact O-CB 3.41Å; G349-C351 PolarHBondContact O-N 2.85Å
352T93.3Very high88.8Confident95 Ų9565.1 Ų65.158%0.58335%0.346SS*.PPolyproline II helixtrans-87.7139.1179.654.30000112.1Y341 N342 M354Y341-T352 VanDerWaalsContact CA-O 3.29Å; Y341-T352 WeakPolarHBondContact CA-O 3.49Å; Y341-T352 WeakPolarHBondContact CD1-O 3.38Å; N342-T352 PolarHBondContact N-O 3.14Å; N342-T352 VanDerWaalsContact N-O 3.14Å; T352-M354 PolarHBondContact O-N 3.07Å
353L96.6Very high86Confident79 Ų7967.2 Ų67.241%0.41437%0.37SS..EExtended strand (participates in β ladder)trans-69.6121.7172.9179.164.9000108.9Y339 Y341Y339-L353 HydrophobicContact CD1-CD1 4.06Å; Y341-L353 VanDerWaalsContact CD1-CA 3.46Å; Y341-L353 HydrophobicContact CD1-CB 3.98Å; Y341-L353 HydrophobicContact CD1-CD1 4.32Å; Y341-L353 HydrophobicContact CD2-CD1 4.35Å; Y341-L353 HydrophobicContact CE1-CB 3.56Å; Y341-L353 HydrophobicContact CE1-CD1 3.85Å; Y341-L353 HydrophobicContact CE1-CG 4.28Å; Y341-L353 HydrophobicContact CE2-CD1 3.89Å
354M95.3Very high83.3Confident81 Ų8172 Ų7240%0.39939%0.393SS..EExtended strand (participates in β ladder)trans-92-48.8178.6-56.4-170.974.800111.6V43 R328 L340 N342 T352V43-M354 HydrophobicContact CG1-CB 4.17Å; V43-M354 HydrophobicContact CG1-CE 4.46Å; V43-M354 HydrophobicContact CG1-SD 4.43Å; R328-M354 PolarHBondContact NH1-SD 3.01Å; L340-M354 WeakPolarHBondContact O-CB 3.27Å; L340-M354 PolarHBondContact O-N 3.17Å; N342-M354 HydrophobicContact CB-CG 4.03Å; N342-M354 HydrophobicContact CB-SD 3.74Å; T352-M354 PolarHBondContact O-N 3.07Å
355K95.6Very high80.4Confident53 Ų5374.2 Ų74.223%0.2341%0.41CS..EExtended strand (participates in β ladder)trans-155.6147.3-172.2-163.167.3174.2178.20110.2V43 L340 H357 N367V43-K355 HydrophobicContact CG1-CB 4.01Å; V43-K355 WeakPolarHBondContact O-CG 3.4Å; L340-K355 PolarHBondContact N-O 2.8Å; L340-K355 PolarHBondContact O-N 3.14Å; K355-H357 WeakPolarHBondContact CG-NE2 2.99Å; K355-N367 PolarHBondContact NZ-ND2 3.43Å; K355-N367 VanDerWaalsContact NZ-ND2 3.11Å
356Q95.5Very high77.8Confident72 Ų7277.5 Ų77.534%0.33643%0.432SS..EExtended strand (participates in β ladder)trans-117.4139.8165.264.2-176-0.700108.3L338 Y339L338-Q356 CarbonylContact O-C 3.12Å; L338-Q356 WeakPolarHBondContact O-CA 3.12Å; Y339-Q356 HydrophobicContact CD1-CB 3.88Å; Y339-Q356 HydrophobicContact CE1-CB 3.96Å
357H95.6Very high75.5Confident11 Ų1173.1 Ų73.15%0.05141%0.414CS..EExtended strand (participates in β ladder)trans-124138.4174.4-66.8-75.8000109.5V43 D44 L46 Y337 L338 K355V43-H357 PolarHBondContact O-CE1 3.01Å; V43-H357 PolarHBondContact O-NE2 3.25Å; D44-H357 PolarHBondContact O-CE1 3.11Å; L46-H357 HydrophobicContact CB-CB 4.03Å; L46-H357 HydrophobicContact CD2-CB 3.73Å; L46-H357 HydrophobicContact CG-CB 4.43Å; Y337-H357 CarbonylContact C-O 3.58Å; Y337-H357 WeakPolarHBondContact CA-O 3.48Å; L338-H357 HydrophobicContact CB-CB 4.45Å; L338-H357 PolarHBondContact N-O 3.28Å; L338-H357 PolarHBondContact O-N 3.29Å; K355-H357 WeakPolarHBondContact CG-NE2 2.99Å
358R92.9Very high72.9Confident99 Ų9974 Ų7437%0.37442%0.418SS..EExtended strand (participates in β ladder)trans-83132.8175.9-169.5170.9-176.3175.3-2.6110.4Y337 D360 S362Y337-R358 HydrophobicContact CD1-CB 4.37Å; Y337-R358 HydrophobicContact CE1-CB 4.08Å; Y337-R358 HydrophobicContact CE1-CG 4.28Å; R358-D360 WeakPolarHBondContact CD-OD1 3.44Å; R358-D360 WeakPolarHBondContact CG-O 3.11Å; R358-D360 WeakPolarHBondContact CG-OD1 3.3Å; R358-D360 IonicContact CZ-OD1 3.24Å; R358-D360 IonicContact CZ-OD2 2.81Å; R358-D360 VanDerWaalsContact CZ-OD2 3.27Å; R358-D360 IonicContact NE-OD1 3.61Å; R358-D360 PolarHBondContact NE-OD1 3.22Å; R358-D360 IonicContact NE-OD2 3.47Å; R358-D360 PolarHBondContact NE-OD2 2.86Å; R358-D360 VanDerWaalsContact NE-OD2 3.07Å; R358-D360 IonicContact NH2-OD1 2.86Å; R358-D360 IonicContact NH2-OD2 2.8Å; R358-D360 PolarHBondContact NH2-OD2 2.78Å; R358-S362 PolarHBondContact NH1-OG 2.7Å; R358-S362 VanDerWaalsContact NH1-OG 3.1Å
359L91.3Very high70.4Confident2 Ų280.5 Ų80.51%0.0145%0.448CS..SBendtrans-91.6-26.1-176.9-60.3177.8000112.7L27 V29 F38 L46 G336 L338L27-L359 HydrophobicContact CD2-CD1 4.14Å; L27-L359 HydrophobicContact CD2-CD2 3.58Å; V29-L359 HydrophobicContact CG2-CD1 4.23Å; V29-L359 HydrophobicContact CG2-CD2 4.31Å; F38-L359 HydrophobicContact CD2-CD2 4.35Å; F38-L359 HydrophobicContact CE2-CD2 4.26Å; L46-L359 HydrophobicContact CD2-CD2 3.85Å; G336-L359 WeakPolarHBondContact O-CB 3.15Å; G336-L359 WeakPolarHBondContact O-CG 3.43Å; G336-L359 PolarHBondContact O-N 3.42Å; L338-L359 HydrophobicContact CB-CD2 4Å; L338-L359 HydrophobicContact CB-CG 4.47Å
360D74.9Confident67.8Low41 Ų4187 Ų8722%0.21947%0.473CS..SBendtrans-85.9109.8170.258.7-37.4000109.3R358 S362R358-D360 WeakPolarHBondContact CD-OD1 3.44Å; R358-D360 WeakPolarHBondContact CG-O 3.11Å; R358-D360 WeakPolarHBondContact CG-OD1 3.3Å; R358-D360 IonicContact CZ-OD1 3.24Å; R358-D360 IonicContact CZ-OD2 2.81Å; R358-D360 VanDerWaalsContact CZ-OD2 3.27Å; R358-D360 IonicContact NE-OD1 3.61Å; R358-D360 PolarHBondContact NE-OD1 3.22Å; R358-D360 IonicContact NE-OD2 3.47Å; R358-D360 PolarHBondContact NE-OD2 2.86Å; R358-D360 VanDerWaalsContact NE-OD2 3.07Å; R358-D360 IonicContact NH2-OD1 2.86Å; R358-D360 IonicContact NH2-OD2 2.8Å; R358-D360 PolarHBondContact NH2-OD2 2.78Å; D360-S362 PolarHBondContact O-N 3.48Å
361S60.3Low64.8Low66 Ų6688 Ų8846%0.46248%0.478SS..  trans-71.438.9-165.1-42.50000116.2K36 A363K36-S361 WeakPolarHBondContact CE-OG 3.34Å; K36-S361 PolarHBondContact NZ-OG 3.37Å; S361-A363 PolarHBondContact O-N 2.97Å
362S49.4Very low62.1Low59 Ų5997.2 Ų97.241%0.41352%0.52SS..SBendtrans-70.9113.5157.764.30000107.1R358 D360 E364R358-S362 PolarHBondContact NH1-OG 2.7Å; R358-S362 VanDerWaalsContact NH1-OG 3.1Å; D360-S362 PolarHBondContact O-N 3.48Å; S362-E364 PolarHBondContact O-N 3.22Å
363A36.9Very low59Low93 Ų9396 Ų9677%0.76953%0.526SS*.  trans-39.4132.7-179.300000112.7S361 P365S361-A363 PolarHBondContact O-N 2.97Å; A363-P365 WeakPolarHBondContact O-CD 3.41Å
364E39.2Very low55.9Low103 Ų10397.3 Ų97.348%0.48154%0.542SS..PPolyproline II helixtrans-59130.2175.6-68.4-168.4162.300110.6S362S362-E364 PolarHBondContact O-N 3.22Å
365P31.6Very low52.9Low107 Ų107102.6 Ų102.670%0.69557%0.565SS**PPolyproline II helixtrans-72.5151144.430.7-27.6000108.9A363 N367A363-P365 WeakPolarHBondContact O-CD 3.41Å; P365-N367 PolarHBondContact O-N 3.31Å
366P35.7Very low49.7Very low123 Ų123107.4 Ų107.480%0.79959%0.593SS**PPolyproline II helixtrans-58.8136.1-173.1-19.130.7000112.2E368P366-E368 PolarHBondContact O-N 3.43Å
367N40Very low46.4Very low76 Ų76115 Ų11541%0.40662%0.619SS.*  trans-51.2115.8175.6-76-70.6000111.9K355 P365K355-N367 PolarHBondContact NZ-ND2 3.43Å; K355-N367 VanDerWaalsContact NZ-ND2 3.11Å; P365-N367 PolarHBondContact O-N 3.31Å
368E34.3Very low43.2Very low187 Ų187120 Ų12087%0.87465%0.653SS**  trans-83.9119.4151-79.8-175.4172.100108P366 L370P366-E368 PolarHBondContact O-N 3.43Å; E368-L370 PolarHBondContact O-N 3.29Å
369I38.8Very low40.2Very low148 Ų148123.9 Ų123.976%0.75968%0.68SS**  trans-65113166.9-65.2162.8000105.8E371I369-E371 VanDerWaalsContact C-N 3.27Å; I369-E371 PolarHBondContact O-N 3.03Å
370L36.2Very low37.2Very low172 Ų172130.2 Ų130.290%0.90172%0.718SS**  trans-65.795.4164.3-82.4161.5000107.4E368 Q372E368-L370 PolarHBondContact O-N 3.29Å; L370-Q372 PolarHBondContact O-N 3.19Å
371E32.2Very low34.9Very low174 Ų174132.6 Ų132.681%0.81374%0.743SS**  trans-57133.5163.7-75.9-170.4156.100108.9I369 G373I369-E371 VanDerWaalsContact C-N 3.27Å; I369-E371 PolarHBondContact O-N 3.03Å; E371-G373 PolarHBondContact O-N 3.27Å
372Q39.2Very low33.4Very low201 Ų201137.6 Ų137.694%0.93976%0.759SS**  trans-63.298.3173.6-72.6173.9-14.700109.5L370 S374L370-Q372 PolarHBondContact O-N 3.19Å; Q372-S374 PolarHBondContact O-N 3.11Å
373G26.8Very low32.1Very low68 Ų68141.1 Ų141.170%0.70178%0.779SS**  trans-82.6108.2169.700000111.1E371 H375E371-G373 PolarHBondContact O-N 3.27Å; G373-H375 PolarHBondContact O-N 3.47Å
374S33Very low31.8Very low107 Ų107147.1 Ų147.175%0.74878%0.783SS**  trans-56.2125.416554.80000111.6Q372Q372-S374 PolarHBondContact O-N 3.11Å
375H31.4Very low31.1Very low192 Ų192148 Ų14889%0.88980%0.801SS**  trans-138.9101.3157.1-84.9-59.3000111.6G373G373-H375 PolarHBondContact O-N 3.47Å
376D27.3Very low30.9Very low154 Ų154147.5 Ų147.582%0.82481%0.806SS**  trans-73.9144.7156.1-118.2-24.1000110.1
377R28.1Very low30.5Very low233 Ų233146.7 Ų146.788%0.87981%0.809SS**  trans92.6151.1164.5-60.1-177.4170.3-172.9-2119.4
378P27.7Very low29.9Very low116 Ų116149.9 Ų149.975%0.75383%0.831SS**  -127.1166.3-61.431.9-13.1000111.9V380P378-V380 PolarHBondContact O-N 3.45Å
379L29.7Very low29.5Very low179 Ų179146.4 Ų146.494%0.93783%0.827SS**  trans-60.7125.4177.6-72.7154.2000112.5
380V27.4Very low28.9Very low135 Ų135149.6 Ų149.682%0.81884%0.836SS**  trans-113.5122.2156.7-179.30000107.9P378P378-V380 PolarHBondContact O-N 3.45Å
381A27.9Very low28.3Very low91 Ų91145 Ų14575%0.75283%0.83SS**  trans-66.8133.9-177.600000111.9
382Q27.3Very low28Very low171 Ų171147.5 Ų147.580%0.79983%0.834SS**  trans-122113.6154.5-79.4-172.3-17.800109
383T24.2Very low27.3Very low133 Ų133142.3 Ų142.382%0.81682%0.818SS**  trans-64.4127.9177.115.80000111.3
384Y29.1Very low27.2Very low219 Ų219147.2 Ų147.286%0.85982%0.823SS**  trans-114.4112.3158.9-78.2-82.5000108.7
385S25.3Very low26.9Very low122 Ų122148.9 Ų148.985%0.85382%0.819SS**  trans-76.7127.4172.4-750000110.3
386A26.8Very low26.7Very low97 Ų97147.8 Ų147.880%0.80281%0.814SS**  trans-78.9139.2168.500000110.4
387A28Very low26.7Very low106 Ų106144 Ų14488%0.87681%0.812SS**  trans-118.7118.6166.200000109.8
388V27.3Very low26.8Very low143 Ų143137.5 Ų137.587%0.86781%0.808SS**  trans-78.7143.1176.8171.60000109.4
389S25.1Very low27Very low113 Ų113138.9 Ų138.979%0.7981%0.814SS**  trans-117.4123.2166.457.10000111.4
390K27.1Very low27Very low215 Ų215133.9 Ų133.994%0.93581%0.805SS**  trans-164131.8154.5-108.2-171-177.7-175.50109.3
391G23.4Very low27Very low76 Ų76131.1 Ų131.178%0.78481%0.805SS**  trans135.988.6154.800000118.2
392Y25.4Very low27.2Very low227 Ų227131.9 Ų131.989%0.8981%0.811SS**  trans27.9140.9136.7-97.1-92.2000125.9
393C25.1Very low27.3Very low91 Ų91127.2 Ų127.262%0.61581%0.808SS**  trans95.2124.4135.7-112.40000123.7
394E25.5Very low27.8Very low172 Ų172129.3 Ų129.380%0.80481%0.814SS**  trans59.5146.8145.7-73.8171.1171.700119.3
395E26Very low28Very low141 Ų141127 Ų12766%0.65981%0.811SS**  cis-168.8160.612.5-132.8-165144.700108.1
396Q27Very low28.4Very low169 Ų169129 Ų12979%0.7981%0.807SS**  trans61.6125.8154.6-59.9175.415.300118.9
397G28.3Very low28.6Very low76 Ų76131.3 Ų131.378%0.78481%0.805SS**  177.4168.758.100000113.5
398A28.3Very low28.9Very low95 Ų95134 Ų13479%0.78580%0.804SS**  trans-55.8165-169.500000115.9
399V32.3Very low29.1Very low146 Ų146134.9 Ų134.989%0.88580%0.804SS**  -173.4146.658.3170.10000108.3
400G29.6Very low29.5Very low73 Ų73136.4 Ų136.475%0.75380%0.804SS**  trans121.690137.800000119.3
401G28.8Very low29.8Very low78 Ų78134.6 Ų134.680%0.80480%0.803SS**  90.2111.7112.500000120.6
402A32Very low30.1Very low107 Ų107141.5 Ų141.588%0.88481%0.806SS**  trans85.3100.813900000120.2
403G28.2Very low30.5Very low72 Ų72137.3 Ų137.374%0.74280%0.798SS**  83.8106109.100000118.3
404L35.2Very low30.9Very low178 Ų178141 Ų14193%0.93281%0.806SS**  170.7127.6100.5-86.6165.1000109.9
405E32.8Very low31.4Very low171 Ų171141.8 Ų141.880%0.79981%0.809SS**  trans-56.3158.8158.5-65.6166153.100108.9
406E33.8Very low31.9Very low164 Ų164144.6 Ų144.677%0.76682%0.823SS**  cis-176.4176.146.5-142.8164.8-156.300109.4
407D32.1Very low32.4Very low144 Ų144143.8 Ų143.877%0.7782%0.824SS**  trans92.585.2160.8-63.8-12.8000121.2
408L34Very low32.9Very low163 Ų163149.3 Ų149.385%0.85383%0.829SS**  trans-64.6140.4135.7-78.3125.4000110.7
409N31.1Very low33.6Very low162 Ų162153.5 Ų153.587%0.86683%0.833SS**  -161.1134.9125.7-115.7-20.4000113.7
410D33.1Very low34.6Very low145 Ų145152.4 Ų152.478%0.77583%0.828SS**  trans-46.3150.1157.7-87.3-49000112
411L33.7Very low35.6Very low177 Ų177154.8 Ų154.893%0.92783%0.83SS**  trans-162133.7132-99.9162.2000111
412R30.7Very low36Very low221 Ų221159 Ų15983%0.83483%0.834SS**  trans-96.2174.5-176.8-172.2177177.9169.6-0.6109.2
413L32.6Very low36.9Very low138 Ų138161.3 Ų161.372%0.72383%0.83SS**  trans97.8135.2170.7-53.6170.2000112.6
414E32.9Very low37.7Very low170 Ų170165.6 Ų165.679%0.79484%0.835SS**  cis-161.3155.121.5-126155.5-139.900111
415E37.4Very low38.4Very low187 Ų187165.9 Ų165.987%0.87483%0.831SS**  trans-71.8137.6169.9-67.2173.9139.400110.5
416E36Very low39.8Very low201 Ų201163.6 Ų163.694%0.93983%0.829SS**  trans-134.7130.3153.3-94.1-171.6162.900110.8
417N37.2Very low40.7Very low152 Ų152167 Ų16781%0.81385%0.852SS**  trans-123.7113.1-167.2-171.925000104.8
418E39.8Very low41.2Very low192 Ų192168.1 Ų168.190%0.89786%0.856SS**  trans-146.8111175-113.9-179.1-179.200112.1
419Q42.7Very low41.6Very low183 Ų183168.4 Ų168.486%0.85586%0.857SS**  trans-96.8150.8164.2-74.9172.1-23.600109.5
420P53.1Low42.1Very low122 Ų122168.7 Ų168.779%0.79286%0.856SS**  trans-107.3166.6158.934.6-23.8000113.1
421P50.9Low42.7Very low123 Ų123170.1 Ų170.180%0.79986%0.861SS**  trans-98.6159.7-135.936.5-36.4000116.5
422L37.1Very low43.2Very low167 Ų167169.7 Ų169.787%0.87486%0.857SS**  trans-69.9132.1164.6-79.4151.8000111
423I50.5Low44.1Very low155 Ų155166.3 Ų166.380%0.79586%0.858SS**  trans-98.5115.9164.1-62.6172.2000107
424L44.6Very low44.9Very low162 Ų162168.3 Ų168.385%0.84887%0.868SS**PPolyproline II helixtrans-97.3120.5165.5-83.4157.1000107.3
425E50.3Low45.8Very low185 Ų185168.2 Ų168.286%0.86487%0.874SS**PPolyproline II helixtrans-96.6131.8158.6-79.9-173.9156.800108.6
426T62.4Low46.5Very low123 Ų123166.6 Ų166.676%0.75587%0.874SS**PPolyproline II helixtrans-82.2136.1177.546.20000111
427D53.4Low47.5Very low234 Ų234163.5 Ų163.5100%1.25187%0.868SS**  -158.30101.7-89.6-14.9000110.9

Retrieved 427 of 427 residues in 267.2 ms (Link to these results)

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