A0A087YJV2_POEFO Loading...

Peptidyl-prolyl cis-trans isomerase

PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession A0A087YJV2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 166 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
1M39.7Very low78.1Confident249 Ų24991.5 Ų91.5100%1.22753%0.525SS*.  088.20-70.7-173.9-12400108.5
2S50Low79.4Confident97 Ų9790.4 Ų90.468%0.67852%0.523SS*.  trans-117.774.317955.50000108.8
3G66.8Low80.7Confident60 Ų6086.1 Ų86.162%0.61950%0.499SS*.PPolyproline II helixtrans-69.7133.7176.600000110.2
4I80.3Confident81.8Confident85 Ų8579.9 Ų79.944%0.43646%0.463SS..PPolyproline II helixtrans-56.3134164.2-66.2164000107.3K37 I77 Y78I4-K37 HydrophobicContact CG2-CD 3.72Å; I4-I77 HydrophobicContact CG2-CD1 4.12Å; I4-Y78 HydrophobicContact CD1-CD1 3.79Å; I4-Y78 HydrophobicContact CD1-CE1 4.15Å; I4-Y78 HydrophobicContact CG2-CE1 4.39Å
5P85.9Confident82.7Confident15 Ų1575.9 Ų75.910%0.09744%0.444CS..PPolyproline II helixtrans-57.4147.9179.6-2634.6000112.7W9 K37 E41P5-W9 HydrophobicContact CB-CB 4.1Å; P5-W9 HydrophobicContact CB-CD2 3.87Å; P5-W9 HydrophobicContact CB-CE3 3.38Å; P5-W9 HydrophobicContact CB-CG 4.21Å; P5-W9 HydrophobicContact CB-CZ3 4.05Å; P5-W9 HydrophobicContact CG-CD2 4.34Å; P5-W9 HydrophobicContact CG-CE3 3.64Å; P5-W9 HydrophobicContact CG-CZ3 3.75Å; P5-K37 PolarHBondContact O-NZ 3.41Å; P5-E41 HydrophobicContact CG-CB 4.04Å; P5-E41 VanDerWaalsContact CG-CD 3.47Å; P5-E41 HydrophobicContact CG-CG 3.91Å; P5-E41 WeakPolarHBondContact CG-OE2 3.44Å
6P87.8Confident83.5Confident82 Ų8271.3 Ų71.353%0.53242%0.416SS..PPolyproline II helixtrans-61.5156.7175.729.1-35.4000110.8T8 W9P6-T8 PolarHBondContact O-N 3.31Å; P6-T8 VanDerWaalsContact O-N 3.15Å; P6-W9 HydrophobicContact CG-CB 4.25Å; P6-W9 WeakPolarHBondContact O-CB 3.44Å; P6-W9 PolarHBondContact O-N 2.76Å
7D84.9Confident84.3Confident120 Ų12070.4 Ų70.464%0.64241%0.407SS*.THydrogen-bonded Turntrans-63.3-18.7178.7-64.5-41.5000113.5W9 Q10 K37D7-W9 PolarHBondContact O-N 3.41Å; D7-Q10 WeakPolarHBondContact O-CG 3.35Å; D7-Q10 PolarHBondContact O-NE2 2.93Å; D7-K37 IonicContact OD1-NZ 2.74Å; D7-K37 PolarHBondContact OD1-NZ 3.25Å
8T87Confident85Confident127 Ų12767.1 Ų67.178%0.77939%0.389SS*.THydrogen-bonded Turntrans-72.3-15.8173.854.10000113.2P6 Q10P6-T8 PolarHBondContact O-N 3.31Å; P6-T8 VanDerWaalsContact O-N 3.15Å; T8-Q10 PolarHBondContact O-N 3.08Å
9W90.9Very high85.5Confident66 Ų6667.8 Ų67.825%0.2539%0.394CS..  trans-86.398.4178.3-176.471.8000110.5P5 P6 D7 P11 A40 E41 R44 L164P5-W9 HydrophobicContact CB-CB 4.1Å; P5-W9 HydrophobicContact CB-CD2 3.87Å; P5-W9 HydrophobicContact CB-CE3 3.38Å; P5-W9 HydrophobicContact CB-CG 4.21Å; P5-W9 HydrophobicContact CB-CZ3 4.05Å; P5-W9 HydrophobicContact CG-CD2 4.34Å; P5-W9 HydrophobicContact CG-CE3 3.64Å; P5-W9 HydrophobicContact CG-CZ3 3.75Å; P6-W9 HydrophobicContact CG-CB 4.25Å; P6-W9 WeakPolarHBondContact O-CB 3.44Å; P6-W9 PolarHBondContact O-N 2.76Å; D7-W9 PolarHBondContact O-N 3.41Å; W9-P11 HydrophobicContact CD2-CG 4.45Å; W9-P11 HydrophobicContact CH2-CG 4.16Å; W9-P11 HydrophobicContact CZ2-CG 3.9Å; W9-P11 HydrophobicContact CZ3-CG 4.49Å; W9-A40 HydrophobicContact CH2-CB 3.67Å; W9-A40 HydrophobicContact CZ3-CB 3.73Å; W9-E41 HydrophobicContact CH2-CB 4.32Å; W9-E41 HydrophobicContact CZ3-CB 4.03Å; W9-R44 HydrophobicContact CH2-CB 4.22Å; W9-R44 HydrophobicContact CZ2-CB 4.36Å; W9-R44 HydrophobicContact CZ2-CG 4.37Å; W9-L164 HydrophobicContact CH2-CD1 4.21Å; W9-L164 HydrophobicContact CZ2-CD1 3.95Å
10Q92.2Very high86Confident96 Ų9667.4 Ų67.445%0.44939%0.389SS..  trans-133.871-174.4-59.7-177.510.100111.2D7 T8 W29D7-Q10 WeakPolarHBondContact O-CG 3.35Å; D7-Q10 PolarHBondContact O-NE2 2.93Å; T8-Q10 PolarHBondContact O-N 3.08Å; Q10-W29 HydrophobicContact CB-CD2 3.75Å; Q10-W29 HydrophobicContact CB-CE3 4.14Å; Q10-W29 HydrophobicContact CB-CG 3.96Å; Q10-W29 HydrophobicContact CB-CZ2 4.4Å; Q10-W29 HydrophobicContact CG-CD2 3.88Å; Q10-W29 HydrophobicContact CG-CE3 3.77Å; Q10-W29 HydrophobicContact CG-CG 4.27Å; Q10-W29 HydrophobicContact CG-CZ3 4.16Å
11P93.6Very high86.4Confident10 Ų1065.4 Ų65.47%0.06538%0.383CS..  trans-58.8124175.423-33.4000110.1W9 T13 W29 A40 L164 P165W9-P11 HydrophobicContact CD2-CG 4.45Å; W9-P11 HydrophobicContact CH2-CG 4.16Å; W9-P11 HydrophobicContact CZ2-CG 3.9Å; W9-P11 HydrophobicContact CZ3-CG 4.49Å; P11-T13 VanDerWaalsContact C-N 3.28Å; P11-T13 PolarHBondContact O-N 3.22Å; P11-W29 VanDerWaalsContact CD-CZ2 3.49Å; P11-W29 HydrophobicContact CG-CZ2 3.93Å; P11-W29 PolarHBondContact O-NE1 3.22Å; P11-A40 HydrophobicContact CG-CB 3.81Å; P11-L164 HydrophobicContact CB-CD2 3.76Å; P11-L164 HydrophobicContact CG-CD2 3.65Å; P11-P165 HydrophobicContact CB-CG 4.46Å
12P93.8Very high89.1Confident78 Ų7857.2 Ų57.251%0.50635%0.347SS..SBendtrans-71.2-26.7-171.327.5-35.4000112.6E26 L27 P165P12-E26 WeakPolarHBondContact O-CA 3.49Å; P12-L27 PolarHBondContact O-N 2.86Å; P12-P165 HydrophobicContact CG-CG 4.39Å
13T95.7Very high91.3Very high34 Ų3452.7 Ų52.721%0.20932%0.315CS..EExtended strand (participates in β ladder)trans-136.4160.4-176.760.80000112.2P11 V25 E26 P165P11-T13 VanDerWaalsContact C-N 3.28Å; P11-T13 PolarHBondContact O-N 3.22Å; T13-V25 CarbonylContact C-O 3.5Å; T13-V25 WeakPolarHBondContact CA-O 3.15Å; T13-V25 WeakPolarHBondContact CB-O 3.39Å; T13-E26 HydrophobicContact CG2-CB 4.49Å; T13-P165 WeakPolarHBondContact O-CD 3.48Å
14V96.2Very high92.7Very high0 Ų051.4 Ų51.40%029%0.294CS..EExtended strand (participates in β ladder)trans-133125.4172.4174.60000107.9M16 V25 L27 F39 C43 L164V14-M16 HydrophobicContact CG1-CG 4.2Å; V14-V25 HydrophobicContact CB-CG2 3.79Å; V14-V25 PolarHBondContact N-O 3.14Å; V14-V25 WeakPolarHBondContact O-CG2 3.41Å; V14-V25 PolarHBondContact O-N 2.74Å; V14-L27 HydrophobicContact CG2-CD1 3.86Å; V14-L27 HydrophobicContact CG2-CG 4.31Å; V14-F39 HydrophobicContact CB-CE1 3.96Å; V14-F39 HydrophobicContact CG1-CE1 3.94Å; V14-F39 HydrophobicContact CG1-CZ 4.49Å; V14-F39 HydrophobicContact CG2-CD1 4.09Å; V14-F39 HydrophobicContact CG2-CE1 3.81Å; V14-C43 HydrophobicContact CG1-CB 4.16Å; V14-L164 HydrophobicContact CG2-CD2 3.55Å
15A96.1Very high93.5Very high20 Ų2047.4 Ų47.417%0.16527%0.274CS..EExtended strand (participates in β ladder)trans-90.5121.6171.500000109.7T22 L24 T162 T163A15-T22 HydrophobicContact CB-CG2 4.45Å; A15-L24 HydrophobicContact CB-CD1 3.78Å; A15-T162 CarbonylContact O-C 3.54Å; A15-T162 VanDerWaalsContact O-CA 3.29Å; A15-T162 WeakPolarHBondContact O-CA 3.46Å; A15-T163 PolarHBondContact N-O 2.88Å; A15-T163 PolarHBondContact O-N 3.27Å
16M95.8Very high94Very high2 Ų249.8 Ų49.81%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-106.6108.2173.7-60.4-175.7-67.100108.9V14 T18 T22 V23 V25 F39 F112 L114 I159 T162V14-M16 HydrophobicContact CG1-CG 4.2Å; M16-T18 PolarHBondContact O-N 3.14Å; M16-T22 WeakPolarHBondContact O-CA 3.41Å; M16-V23 HydrophobicContact CE-CB 4.27Å; M16-V23 HydrophobicContact CE-CG1 4.1Å; M16-V23 PolarHBondContact N-O 3.48Å; M16-V23 PolarHBondContact O-N 3.5Å; M16-V25 HydrophobicContact CE-CG1 3.67Å; M16-V25 HydrophobicContact CE-CG2 4.3Å; M16-F39 HydrophobicContact SD-CZ 4.01Å; M16-F112 HydrophobicContact SD-CE2 4.2Å; M16-F112 HydrophobicContact SD-CZ 3.95Å; M16-L114 HydrophobicContact CE-CD1 4.12Å; M16-I159 HydrophobicContact SD-CD1 4.49Å; M16-T162 HydrophobicContact CG-CG2 4.09Å
17E96.4Very high94.5Very high55 Ų5546.3 Ų46.326%0.25726%0.26SS..EExtended strand (participates in β ladder)trans-82.2113.8172.9-69.2169.1-159.800108.1T22 I159 V160 R161E17-T22 HydrophobicContact CG-CG2 4.31Å; E17-I159 CarbonylContact O-C 3.5Å; E17-V160 PolarHBondContact O-N 3.43Å; E17-R161 HydrophobicContact CB-CB 4.41Å; E17-R161 PolarHBondContact N-O 2.82Å; E17-R161 PolarHBondContact O-N 3.45Å; E17-R161 IonicContact OE1-CZ 3.51Å; E17-R161 IonicContact OE1-NE 3.43Å; E17-R161 PolarHBondContact OE1-NE 3.45Å; E17-R161 IonicContact OE1-NH2 2.74Å; E17-R161 PolarHBondContact OE1-NH2 3.21Å; E17-R161 IonicContact OE2-CZ 3.7Å; E17-R161 IonicContact OE2-NE 3.14Å; E17-R161 PolarHBondContact OE2-NE 3.23Å; E17-R161 VanDerWaalsContact OE2-NE 3.14Å; E17-R161 IonicContact OE2-NH2 3.5Å; E17-R161 PolarHBondContact OE2-NH2 2.67Å
18T96.2Very high95Very high12 Ų1242.9 Ų42.97%0.07424%0.239CC..EExtended strand (participates in β ladder)trans-106.8166.1176.878.20000111M16 M20 G21 F53 I142 K158M16-T18 PolarHBondContact O-N 3.14Å; T18-M20 PolarHBondContact O-N 2.72Å; T18-M20 VanDerWaalsContact O-N 3.09Å; T18-M20 PolarHBondContact OG1-N 3.41Å; T18-G21 WeakPolarHBondContact CA-O 3.39Å; T18-G21 WeakPolarHBondContact CB-O 3.45Å; T18-G21 PolarHBondContact N-O 2.89Å; T18-G21 PolarHBondContact O-N 2.96Å; T18-G21 VanDerWaalsContact O-N 3.08Å; T18-G21 PolarHBondContact OG1-N 2.79Å; T18-G21 PolarHBondContact OG1-O 2.66Å; T18-F53 HydrophobicContact CG2-CE2 3.98Å; T18-F53 HydrophobicContact CG2-CZ 4.28Å; T18-I142 HydrophobicContact CG2-CD1 4.31Å; T18-K158 CarbonylContact C-O 3.49Å; T18-K158 WeakPolarHBondContact CA-O 3.25Å; T18-K158 WeakPolarHBondContact CB-O 3.23Å
19T95.8Very high95.4Very high81 Ų8137.8 Ų37.850%0.49721%0.205SC..THydrogen-bonded Turntrans-59.8-17.1172.452.10000113.6K158 V160T19-K158 HydrophobicContact CG2-CB 4.06Å; T19-K158 HydrophobicContact CG2-CG 4.47Å; T19-K158 PolarHBondContact N-O 2.84Å; T19-K158 PolarHBondContact OG1-N 3.33Å; T19-V160 HydrophobicContact CG2-CG2 4.02Å
20M94.2Very high95.5Very high59 Ų5941.8 Ų41.829%0.29123%0.232SC..THydrogen-bonded Turntrans-105.13178.4-62.2-169.380.300113.8T18 V138 R141 I142 V145 I157T18-M20 PolarHBondContact O-N 2.72Å; T18-M20 VanDerWaalsContact O-N 3.09Å; T18-M20 PolarHBondContact OG1-N 3.41Å; M20-V138 HydrophobicContact CB-CG1 4.19Å; M20-R141 HydrophobicContact CE-CB 3.8Å; M20-R141 PolarHBondContact O-NH2 3.44Å; M20-I142 HydrophobicContact CB-CG1 4.13Å; M20-I142 HydrophobicContact CG-CG1 4.3Å; M20-I142 HydrophobicContact SD-CB 4.36Å; M20-I142 HydrophobicContact SD-CG1 3.62Å; M20-V145 HydrophobicContact CE-CG1 4.22Å; M20-V145 HydrophobicContact SD-CG1 4.08Å; M20-I157 HydrophobicContact CG-CG2 4.28Å; M20-I157 HydrophobicContact SD-CD1 3.58Å; M20-I157 VanDerWaalsContact SD-CD1 3.58Å; M20-I157 HydrophobicContact SD-CG1 4.11Å; M20-I157 HydrophobicContact SD-CG2 4.39Å
21G95.6Very high95.6Very high26 Ų2640.4 Ų40.427%0.26823%0.225SC..EExtended strand (participates in β ladder)trans125.3-177.7-178.300000113.5T18T18-G21 WeakPolarHBondContact CA-O 3.39Å; T18-G21 WeakPolarHBondContact CB-O 3.45Å; T18-G21 PolarHBondContact N-O 2.89Å; T18-G21 PolarHBondContact O-N 2.96Å; T18-G21 VanDerWaalsContact O-N 3.08Å; T18-G21 PolarHBondContact OG1-N 2.79Å; T18-G21 PolarHBondContact OG1-O 2.66Å
22T96Very high95.6Very high76 Ų7640 Ų4047%0.46622%0.222SC..EExtended strand (participates in β ladder)trans-93.9134.1-174.1-50.30000111.7A15 M16 E17A15-T22 HydrophobicContact CB-CG2 4.45Å; M16-T22 WeakPolarHBondContact O-CA 3.41Å; E17-T22 HydrophobicContact CG-CG2 4.31Å
23V96.8Very high95.7Very high2 Ų238.9 Ų38.91%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-116.6122.4171.8-177.80000108.3M16 V25 V132 V138M16-V23 HydrophobicContact CE-CB 4.27Å; M16-V23 HydrophobicContact CE-CG1 4.1Å; M16-V23 PolarHBondContact N-O 3.48Å; M16-V23 PolarHBondContact O-N 3.5Å; V23-V25 HydrophobicContact CG1-CG1 4.27Å; V23-V132 HydrophobicContact CG1-CB 4.5Å; V23-V132 HydrophobicContact CG1-CG1 3.88Å; V23-V132 HydrophobicContact CG1-CG2 3.85Å; V23-V138 HydrophobicContact CG2-CB 3.99Å; V23-V138 HydrophobicContact CG2-CG1 3.88Å
24L96.6Very high95.6Very high34 Ų3441.4 Ų41.418%0.17822%0.223CC..EExtended strand (participates in β ladder)trans-100.3124.9174.9-168.569.9000108.5A15 V132 C133 Q134A15-L24 HydrophobicContact CB-CD1 3.78Å; L24-V132 WeakPolarHBondContact O-CA 3.22Å; L24-C133 VanDerWaalsContact CD2-SG 3.57Å; L24-C133 VanDerWaalsContact CG-SG 3.51Å; L24-C133 PolarHBondContact O-N 2.86Å; L24-C133 PolarHBondContact O-SG 2.58Å; L24-C133 VanDerWaalsContact O-SG 3.36Å; L24-Q134 HydrophobicContact CB-CB 3.84Å; L24-Q134 HydrophobicContact CB-CG 4.43Å; L24-Q134 HydrophobicContact CD2-CB 4.36Å; L24-Q134 HydrophobicContact CD2-CG 4.06Å; L24-Q134 PolarHBondContact N-O 2.89Å; L24-Q134 PolarHBondContact O-N 3.19Å
25V96.9Very high95.6Very high0 Ų041.4 Ų41.40%022%0.223CC..EExtended strand (participates in β ladder)trans-111.1138.9175.1-63.60000110.6T13 V14 M16 V23 L27 F39 L98 L114 R131 V132T13-V25 CarbonylContact C-O 3.5Å; T13-V25 WeakPolarHBondContact CA-O 3.15Å; T13-V25 WeakPolarHBondContact CB-O 3.39Å; V14-V25 HydrophobicContact CB-CG2 3.79Å; V14-V25 PolarHBondContact N-O 3.14Å; V14-V25 WeakPolarHBondContact O-CG2 3.41Å; V14-V25 PolarHBondContact O-N 2.74Å; M16-V25 HydrophobicContact CE-CG1 3.67Å; M16-V25 HydrophobicContact CE-CG2 4.3Å; V23-V25 HydrophobicContact CG1-CG1 4.27Å; V25-L27 HydrophobicContact CG2-CD2 4.44Å; V25-F39 HydrophobicContact CG2-CE1 4.04Å; V25-F39 HydrophobicContact CG2-CZ 4.45Å; V25-L98 HydrophobicContact CB-CD2 4.09Å; V25-L98 HydrophobicContact CG1-CD2 4.33Å; V25-L98 HydrophobicContact CG2-CD2 3.99Å; V25-L114 HydrophobicContact CG1-CD2 4.33Å; V25-R131 CarbonylContact C-O 3.52Å; V25-R131 WeakPolarHBondContact CA-O 3.34Å; V25-V132 HydrophobicContact CG1-CG2 4.04Å
26E96.7Very high95.6Very high65 Ų6540.4 Ų40.430%0.30422%0.215SC..EExtended strand (participates in β ladder)trans-93.2136.5169.8179.6-177.9-160.200109.1P12 T13 G130 R131 C133P12-E26 WeakPolarHBondContact O-CA 3.49Å; T13-E26 HydrophobicContact CG2-CB 4.49Å; E26-G130 CarbonylContact O-C 3.49Å; E26-G130 WeakPolarHBondContact O-CA 3.46Å; E26-R131 HydrophobicContact CB-CG 4.36Å; E26-R131 PolarHBondContact N-O 3.09Å; E26-R131 PolarHBondContact O-N 3.33Å; E26-R131 IonicContact OE2-CZ 3.69Å; E26-R131 VanDerWaalsContact OE2-CZ 3.29Å; E26-R131 IonicContact OE2-NE 2.64Å; E26-R131 PolarHBondContact OE2-NE 3.02Å; E26-R131 IonicContact OE2-NH2 3.21Å; E26-R131 PolarHBondContact OE2-NH2 3.1Å; E26-C133 HydrophobicContact CB-CB 4.2Å
27L96.8Very high95.5Very high9 Ų941 Ų415%0.04722%0.218CC..EExtended strand (participates in β ladder)trans-102.9138.2-176.9-59.6-175.2000111.8P12 V14 V25 W29 C36 F39 A40 L98 F129P12-L27 PolarHBondContact O-N 2.86Å; V14-L27 HydrophobicContact CG2-CD1 3.86Å; V14-L27 HydrophobicContact CG2-CG 4.31Å; V25-L27 HydrophobicContact CG2-CD2 4.44Å; L27-W29 HydrophobicContact CD1-CZ2 3.96Å; L27-W29 PolarHBondContact O-N 2.95Å; L27-C36 HydrophobicContact CB-CB 4.35Å; L27-C36 HydrophobicContact CD1-CB 4.45Å; L27-F39 HydrophobicContact CD1-CD1 4.41Å; L27-F39 HydrophobicContact CD2-CD1 3.83Å; L27-F39 HydrophobicContact CD2-CE1 4.16Å; L27-A40 HydrophobicContact CD1-CB 4.05Å; L27-L98 HydrophobicContact CD2-CD2 4.13Å; L27-F129 HydrophobicContact CD2-CD2 4.12Å; L27-F129 HydrophobicContact CD2-CE2 4.18Å
28Y96.3Very high95.5Very high48 Ų4838.4 Ų38.419%0.18821%0.206CC..  trans-9665.2-177.4-63.4-16.5000112.4N30 H31 A32 C36 L90 I128 F129 R131Y28-N30 PolarHBondContact O-N 3.43Å; Y28-N30 VanDerWaalsContact O-N 3.11Å; Y28-H31 PolarHBondContact O-N 3.47Å; Y28-A32 PolarHBondContact O-N 3.12Å; Y28-C36 VanDerWaalsContact C-SG 3.51Å; Y28-L90 HydrophobicContact CD2-CD1 4.04Å; Y28-L90 HydrophobicContact CD2-CD2 3.95Å; Y28-L90 HydrophobicContact CE2-CD2 3.93Å; Y28-I128 HydrophobicContact CD2-CG2 4.35Å; Y28-I128 HydrophobicContact CE2-CG2 4.3Å; Y28-F129 PolarHBondContact N-O 3.23Å; Y28-R131 HydrophobicContact CE1-CG 4.05Å; Y28-R131 WeakPolarHBondContact OH-CD 3.28Å; Y28-R131 VanDerWaalsContact OH-CG 3.25Å; Y28-R131 WeakPolarHBondContact OH-CG 3.21Å
29W94.4Very high95.5Very high21 Ų2137.9 Ų37.98%0.0820%0.202CC..THydrogen-bonded Turntrans-53.9-32.5-177.9-69.797.9000114.8Q10 P11 L27 H31 P33 C36 K37 A40Q10-W29 HydrophobicContact CB-CD2 3.75Å; Q10-W29 HydrophobicContact CB-CE3 4.14Å; Q10-W29 HydrophobicContact CB-CG 3.96Å; Q10-W29 HydrophobicContact CB-CZ2 4.4Å; Q10-W29 HydrophobicContact CG-CD2 3.88Å; Q10-W29 HydrophobicContact CG-CE3 3.77Å; Q10-W29 HydrophobicContact CG-CG 4.27Å; Q10-W29 HydrophobicContact CG-CZ3 4.16Å; P11-W29 VanDerWaalsContact CD-CZ2 3.49Å; P11-W29 HydrophobicContact CG-CZ2 3.93Å; P11-W29 PolarHBondContact O-NE1 3.22Å; L27-W29 HydrophobicContact CD1-CZ2 3.96Å; L27-W29 PolarHBondContact O-N 2.95Å; W29-H31 VanDerWaalsContact C-N 3.34Å; W29-H31 PolarHBondContact O-N 3.39Å; W29-P33 WeakPolarHBondContact O-CA 3.5Å; W29-P33 WeakPolarHBondContact O-CB 3.34Å; W29-P33 WeakPolarHBondContact O-CD 3.49Å; W29-C36 HydrophobicContact CD2-CB 3.57Å; W29-C36 HydrophobicContact CE3-CB 3.56Å; W29-C36 HydrophobicContact CG-CB 4.22Å; W29-C36 HydrophobicContact CH2-CB 4Å; W29-C36 HydrophobicContact CZ2-CB 3.93Å; W29-C36 HydrophobicContact CZ3-CB 3.8Å; W29-K37 VanDerWaalsContact CH2-CA 3.5Å; W29-K37 HydrophobicContact CH2-CB 4.12Å; W29-K37 HydrophobicContact CZ3-CB 3.8Å; W29-A40 HydrophobicContact CH2-CB 4.19Å; W29-A40 HydrophobicContact CZ2-CB 3.99Å
30N93.5Very high95.4Very high150 Ų15034 Ų3480%0.80218%0.179SC*.THydrogen-bonded Turntrans-70.7-28.3179.1-67.3-16000113.5Y28Y28-N30 PolarHBondContact O-N 3.43Å; Y28-N30 VanDerWaalsContact O-N 3.11Å
31H93.6Very high95.4Very high67 Ų6731.2 Ų31.231%0.3117%0.165SC..THydrogen-bonded Turntrans-100.2-39.8-174.8-60.587.3000111.9Y28 W29 H87 L90Y28-H31 PolarHBondContact O-N 3.47Å; W29-H31 VanDerWaalsContact C-N 3.34Å; W29-H31 PolarHBondContact O-N 3.39Å; H31-H87 AromaticContact CD2-CD2 3.93Å; H31-H87 AromaticContact CD2-CE1 3.88Å; H31-H87 AromaticContact CD2-CG 3.73Å; H31-H87 AromaticContact CD2-ND1 3.7Å; H31-L90 HydrophobicContact CB-CD1 3.56Å; H31-L90 HydrophobicContact CB-CG 4.46Å
32A94.9Very high95.4Very high0 Ų030.2 Ų30.20%015%0.153CC..  trans-133.163-175.500000111.6Y28 K34 T35 C36 E85 F129Y28-A32 PolarHBondContact O-N 3.12Å; A32-K34 PolarHBondContact O-N 2.89Å; A32-T35 PolarHBondContact O-N 3.07Å; A32-C36 WeakPolarHBondContact O-CB 3.37Å; A32-C36 PolarHBondContact O-N 2.91Å; A32-C36 PolarHBondContact O-SG 3.43Å; A32-E85 WeakPolarHBondContact CA-OE2 3.41Å; A32-E85 HydrophobicContact CB-CB 3.93Å; A32-E85 WeakPolarHBondContact CB-OE2 3.14Å; A32-F129 HydrophobicContact CB-CB 3.73Å
33P94.6Very high95.3Very high56 Ų5626.8 Ų26.836%0.36413%0.132SC..Hα-helixtrans-61.6-39-174.623.1-33.5000113.6W29 K37 E85W29-P33 WeakPolarHBondContact O-CA 3.5Å; W29-P33 WeakPolarHBondContact O-CB 3.34Å; W29-P33 WeakPolarHBondContact O-CD 3.49Å; P33-K37 VanDerWaalsContact O-CB 3.27Å; P33-K37 WeakPolarHBondContact O-CB 3.21Å; P33-K37 PolarHBondContact O-N 3.23Å; P33-E85 WeakPolarHBondContact CD-OE1 3.44Å; P33-E85 WeakPolarHBondContact CG-OE1 3.31Å
34K94.1Very high95.1Very high86 Ų8633.3 Ų33.337%0.37416%0.157SC..Hα-helixtrans-69.2-42.2179.8-67.5179.11761750110.8A32 K37 N38 Y78 E83 E85A32-K34 PolarHBondContact O-N 2.89Å; K34-K37 PolarHBondContact O-N 3.16Å; K34-N38 WeakPolarHBondContact O-CB 3.25Å; K34-N38 PolarHBondContact O-N 3.48Å; K34-Y78 WeakPolarHBondContact CA-OH 3.44Å; K34-Y78 PolarHBondContact O-OH 2.89Å; K34-Y78 VanDerWaalsContact O-OH 3.07Å; K34-E83 HydrophobicContact CD-CG 4.45Å; K34-E83 IonicContact NZ-OE1 2.91Å; K34-E83 PolarHBondContact NZ-OE1 3.28Å; K34-E83 IonicContact NZ-OE2 2.8Å; K34-E85 WeakPolarHBondContact CB-OE1 3.39Å; K34-E85 PolarHBondContact N-OE1 3.32Å; K34-E85 PolarHBondContact N-OE2 2.8Å
35T95.7Very high94.9Very high0 Ų036.6 Ų36.60%017%0.167CC..Hα-helixtrans-66.4-46.7179.3-51.90000111.3A32 K37 N38 F39 F82 E85 M100 F129A32-T35 PolarHBondContact O-N 3.07Å; T35-K37 VanDerWaalsContact C-N 3.31Å; T35-K37 PolarHBondContact O-N 2.72Å; T35-N38 PolarHBondContact O-N 2.84Å; T35-F39 PolarHBondContact O-N 2.85Å; T35-F82 HydrophobicContact CG2-CE2 4.43Å; T35-F82 HydrophobicContact CG2-CZ 4.33Å; T35-E85 VanDerWaalsContact CB-OE2 3.28Å; T35-E85 WeakPolarHBondContact CB-OE2 3.28Å; T35-E85 PolarHBondContact N-OE2 3.42Å; T35-E85 PolarHBondContact OG1-OE2 2.91Å; T35-M100 HydrophobicContact CG2-CG 3.23Å; T35-M100 HydrophobicContact CG2-SD 3.81Å; T35-F129 HydrophobicContact CG2-CB 3.59Å; T35-F129 HydrophobicContact CG2-CD1 3.39Å; T35-F129 HydrophobicContact CG2-CD2 4.06Å; T35-F129 HydrophobicContact CG2-CE1 3.99Å; T35-F129 HydrophobicContact CG2-CG 3.42Å; T35-F129 VanDerWaalsContact CG2-CG 3.42Å
36C96.1Very high94.7Very high0 Ų037.6 Ų37.60%018%0.177CC..Hα-helixtrans-59.6-43.3175.5-680000111.2L27 Y28 W29 A32 F39 A40 F129L27-C36 HydrophobicContact CB-CB 4.35Å; L27-C36 HydrophobicContact CD1-CB 4.45Å; Y28-C36 VanDerWaalsContact C-SG 3.51Å; W29-C36 HydrophobicContact CD2-CB 3.57Å; W29-C36 HydrophobicContact CE3-CB 3.56Å; W29-C36 HydrophobicContact CG-CB 4.22Å; W29-C36 HydrophobicContact CH2-CB 4Å; W29-C36 HydrophobicContact CZ2-CB 3.93Å; W29-C36 HydrophobicContact CZ3-CB 3.8Å; A32-C36 WeakPolarHBondContact O-CB 3.37Å; A32-C36 PolarHBondContact O-N 2.91Å; A32-C36 PolarHBondContact O-SG 3.43Å; C36-F39 PolarHBondContact O-N 3.19Å; C36-A40 VanDerWaalsContact O-CB 3.26Å; C36-A40 WeakPolarHBondContact O-CB 3.2Å; C36-A40 PolarHBondContact O-N 3.25Å; C36-F129 PolarHBondContact SG-O 3.05Å
37K95.1Very high94.6Very high15 Ų1537.8 Ų37.87%0.06518%0.175CC..Hα-helixtrans-61.4-47.2176.5-169180-66.3-166.20112.2I4 P5 D7 W29 P33 K34 T35 E41 I77I4-K37 HydrophobicContact CG2-CD 3.72Å; P5-K37 PolarHBondContact O-NZ 3.41Å; D7-K37 IonicContact OD1-NZ 2.74Å; D7-K37 PolarHBondContact OD1-NZ 3.25Å; W29-K37 VanDerWaalsContact CH2-CA 3.5Å; W29-K37 HydrophobicContact CH2-CB 4.12Å; W29-K37 HydrophobicContact CZ3-CB 3.8Å; P33-K37 VanDerWaalsContact O-CB 3.27Å; P33-K37 WeakPolarHBondContact O-CB 3.21Å; P33-K37 PolarHBondContact O-N 3.23Å; K34-K37 PolarHBondContact O-N 3.16Å; T35-K37 VanDerWaalsContact C-N 3.31Å; T35-K37 PolarHBondContact O-N 2.72Å; K37-E41 WeakPolarHBondContact O-CB 3.46Å; K37-E41 PolarHBondContact O-N 2.64Å; K37-I77 HydrophobicContact CD-CD1 4.37Å; K37-I77 HydrophobicContact CG-CD1 4.02Å
38N95.1Very high94.5Very high0 Ų037.4 Ų37.40%017%0.173CC..Hα-helixtrans-56.7-52176.6178.265.3000111K34 T35 L42 S76 I77 Y78 F82 G109K34-N38 WeakPolarHBondContact O-CB 3.25Å; K34-N38 PolarHBondContact O-N 3.48Å; T35-N38 PolarHBondContact O-N 2.84Å; N38-L42 WeakPolarHBondContact O-CB 3.23Å; N38-L42 WeakPolarHBondContact O-CG 3.23Å; N38-L42 PolarHBondContact O-N 2.92Å; N38-S76 WeakPolarHBondContact OD1-CA 3.42Å; N38-S76 VanDerWaalsContact OD1-CB 3.28Å; N38-S76 WeakPolarHBondContact OD1-CB 3.34Å; N38-I77 HydrophobicContact CB-CG1 4.28Å; N38-I77 PolarHBondContact OD1-N 3Å; N38-Y78 HydrophobicContact CB-CE2 4.07Å; N38-F82 HydrophobicContact CB-CE1 4.2Å; N38-F82 HydrophobicContact CB-CZ 4.15Å; N38-G109 PolarHBondContact ND2-O 2.86Å
39F96.1Very high94.4Very high0 Ų038.2 Ų38.20%018%0.181CC..Hα-helixtrans-62.2-51.2-179.1-177.1-101.2000112.3V14 M16 V25 L27 T35 C36 E41 L42 C43 Y48 L98 F112 F129V14-F39 HydrophobicContact CB-CE1 3.96Å; V14-F39 HydrophobicContact CG1-CE1 3.94Å; V14-F39 HydrophobicContact CG1-CZ 4.49Å; V14-F39 HydrophobicContact CG2-CD1 4.09Å; V14-F39 HydrophobicContact CG2-CE1 3.81Å; M16-F39 HydrophobicContact SD-CZ 4.01Å; V25-F39 HydrophobicContact CG2-CE1 4.04Å; V25-F39 HydrophobicContact CG2-CZ 4.45Å; L27-F39 HydrophobicContact CD1-CD1 4.41Å; L27-F39 HydrophobicContact CD2-CD1 3.83Å; L27-F39 HydrophobicContact CD2-CE1 4.16Å; T35-F39 PolarHBondContact O-N 2.85Å; C36-F39 PolarHBondContact O-N 3.19Å; F39-E41 PolarHBondContact O-N 2.7Å; F39-L42 PolarHBondContact O-N 3.19Å; F39-C43 PolarHBondContact O-N 2.95Å; F39-C43 PolarHBondContact O-SG 2.93Å; F39-Y48 AromaticContact CD2-CE2 3.74Å; F39-Y48 HydrophobicContact CD2-CE2 3.74Å; F39-Y48 HydrophobicContact CE2-CD2 4.44Å; F39-Y48 AromaticContact CE2-CE2 3.78Å; F39-Y48 HydrophobicContact CE2-CE2 3.78Å; F39-L98 HydrophobicContact CE1-CD2 4.28Å; F39-L98 HydrophobicContact CZ-CD2 4.35Å; F39-F112 HydrophobicContact CD2-CD1 4.18Å; F39-F112 AromaticContact CE2-CD1 3.68Å; F39-F112 HydrophobicContact CE2-CD1 3.68Å; F39-F112 HydrophobicContact CE2-CD2 4.37Å; F39-F112 AromaticContact CE2-CE1 3.67Å; F39-F112 HydrophobicContact CE2-CE1 3.67Å; F39-F112 HydrophobicContact CE2-CE2 4.36Å; F39-F112 HydrophobicContact CE2-CG 4.03Å; F39-F112 HydrophobicContact CE2-CZ 4.01Å; F39-F129 HydrophobicContact CB-CD2 4.37Å; F39-F129 HydrophobicContact CB-CE2 3.59Å; F39-F129 HydrophobicContact CB-CZ 4.13Å; F39-F129 AromaticContact CD1-CE2 3.86Å; F39-F129 HydrophobicContact CD1-CE2 3.86Å; F39-F129 AromaticContact CD2-CE2 3.87Å; F39-F129 HydrophobicContact CD2-CE2 3.87Å; F39-F129 AromaticContact CD2-CZ 3.81Å; F39-F129 HydrophobicContact CD2-CZ 3.81Å; F39-F129 HydrophobicContact CE1-CE2 4.49Å; F39-F129 HydrophobicContact CE2-CZ 4.38Å; F39-F129 AromaticContact CG-CE2 3.5Å; F39-F129 HydrophobicContact CG-CE2 3.5Å; F39-F129 VanDerWaalsContact CG-CE2 3.5Å; F39-F129 AromaticContact CG-CZ 3.94Å; F39-F129 HydrophobicContact CG-CZ 3.94Å
40A95.3Very high94.3Very high0 Ų042.6 Ų42.60%021%0.206CC..Hα-helixtrans-61.6-42.6-178.900000112W9 P11 L27 W29 C36 C43 R44 L164W9-A40 HydrophobicContact CH2-CB 3.67Å; W9-A40 HydrophobicContact CZ3-CB 3.73Å; P11-A40 HydrophobicContact CG-CB 3.81Å; L27-A40 HydrophobicContact CD1-CB 4.05Å; W29-A40 HydrophobicContact CH2-CB 4.19Å; W29-A40 HydrophobicContact CZ2-CB 3.99Å; C36-A40 VanDerWaalsContact O-CB 3.26Å; C36-A40 WeakPolarHBondContact O-CB 3.2Å; C36-A40 PolarHBondContact O-N 3.25Å; A40-C43 WeakPolarHBondContact O-CB 3.29Å; A40-C43 PolarHBondContact O-N 3.44Å; A40-R44 WeakPolarHBondContact O-CB 2.92Å; A40-R44 PolarHBondContact O-N 2.79Å; A40-L164 HydrophobicContact CB-CD2 4.15Å
41E94.3Very high94.4Very high1 Ų135.8 Ų35.81%0.00517%0.17CC..Hα-helixtrans-69.6-36.4179.6176.562.5-174.900111.9P5 W9 K37 F39 C43 R44 R45 I77P5-E41 HydrophobicContact CG-CB 4.04Å; P5-E41 VanDerWaalsContact CG-CD 3.47Å; P5-E41 HydrophobicContact CG-CG 3.91Å; P5-E41 WeakPolarHBondContact CG-OE2 3.44Å; W9-E41 HydrophobicContact CH2-CB 4.32Å; W9-E41 HydrophobicContact CZ3-CB 4.03Å; K37-E41 WeakPolarHBondContact O-CB 3.46Å; K37-E41 PolarHBondContact O-N 2.64Å; F39-E41 PolarHBondContact O-N 2.7Å; E41-C43 VanDerWaalsContact C-N 3.34Å; E41-R44 PolarHBondContact O-N 2.86Å; E41-R44 IonicContact OE1-CZ 2.85Å; E41-R44 IonicContact OE1-NE 2.84Å; E41-R44 IonicContact OE1-NH2 3.69Å; E41-R44 PolarHBondContact OE1-NH2 2.76Å; E41-R44 IonicContact OE2-CZ 2.86Å; E41-R44 IonicContact OE2-NE 3.29Å; E41-R44 PolarHBondContact OE2-NE 3.36Å; E41-R44 IonicContact OE2-NH2 3.46Å; E41-R44 PolarHBondContact OE2-NH2 2.87Å; E41-R45 WeakPolarHBondContact O-CB 3.11Å; E41-R45 VanDerWaalsContact O-CG 3.28Å; E41-R45 WeakPolarHBondContact O-CG 3.46Å; E41-R45 PolarHBondContact O-N 3.22Å; E41-R45 IonicContact OE1-CZ 2.58Å; E41-R45 VanDerWaalsContact OE1-CZ 3.24Å; E41-R45 IonicContact OE1-NE 3.14Å; E41-R45 PolarHBondContact OE1-NE 2.84Å; E41-R45 IonicContact OE1-NH2 3.22Å; E41-R45 PolarHBondContact OE1-NH2 3.35Å; E41-I77 HydrophobicContact CB-CD1 4.06Å; E41-I77 HydrophobicContact CB-CG2 3.92Å; E41-I77 HydrophobicContact CG-CB 4.39Å; E41-I77 HydrophobicContact CG-CD1 4.21Å; E41-I77 HydrophobicContact CG-CG2 3.71Å
42L94.6Very high94.4Very high5 Ų535.5 Ų35.53%0.02617%0.168CC..Hα-helixtrans-63.4-41172.2-71171.9000111.2N38 F39 R45 G46 Y47 Y48 I77N38-L42 WeakPolarHBondContact O-CB 3.23Å; N38-L42 WeakPolarHBondContact O-CG 3.23Å; N38-L42 PolarHBondContact O-N 2.92Å; F39-L42 PolarHBondContact O-N 3.19Å; L42-R45 PolarHBondContact O-N 3.44Å; L42-G46 PolarHBondContact O-N 2.85Å; L42-Y47 HydrophobicContact CB-CD1 4.4Å; L42-Y47 HydrophobicContact CB-CG 4.39Å; L42-Y47 HydrophobicContact CD1-CD1 4.48Å; L42-Y47 HydrophobicContact CD2-CD1 3.88Å; L42-Y47 HydrophobicContact CD2-CD2 3.88Å; L42-Y47 HydrophobicContact CD2-CE1 4.36Å; L42-Y47 HydrophobicContact CD2-CE2 4.36Å; L42-Y47 HydrophobicContact CD2-CG 3.61Å; L42-Y47 HydrophobicContact CG-CD1 4.47Å; L42-Y47 HydrophobicContact CG-CG 4.5Å; L42-Y47 WeakPolarHBondContact O-CB 3.47Å; L42-Y47 PolarHBondContact O-N 2.78Å; L42-Y48 HydrophobicContact CB-CD2 4.22Å; L42-Y48 HydrophobicContact CB-CE2 3.57Å; L42-Y48 HydrophobicContact CD1-CE2 4.45Å; L42-Y48 VanDerWaalsContact CD1-OH 3.26Å; L42-Y48 WeakPolarHBondContact CD1-OH 3.34Å; L42-I77 HydrophobicContact CD2-CG2 3.86Å; L42-I77 HydrophobicContact CG-CG2 3.77Å
43C94.4Very high94.4Very high3 Ų335.7 Ų35.72%0.0217%0.169CC..Hα-helixtrans-59.2-49.7170.9-65.90000111.4V14 F39 A40 E41 R45 G46 Y48 T162V14-C43 HydrophobicContact CG1-CB 4.16Å; F39-C43 PolarHBondContact O-N 2.95Å; F39-C43 PolarHBondContact O-SG 2.93Å; A40-C43 WeakPolarHBondContact O-CB 3.29Å; A40-C43 PolarHBondContact O-N 3.44Å; E41-C43 VanDerWaalsContact C-N 3.34Å; C43-R45 VanDerWaalsContact C-N 3.27Å; C43-R45 PolarHBondContact O-N 2.82Å; C43-G46 WeakPolarHBondContact O-CA 3.26Å; C43-G46 PolarHBondContact O-N 2.84Å; C43-Y48 WeakPolarHBondContact SG-CD2 3.35Å; C43-T162 WeakPolarHBondContact CA-OG1 3.21Å; C43-T162 HydrophobicContact CB-CG2 4.47Å; C43-T162 WeakPolarHBondContact CB-OG1 3.48Å; C43-T162 PolarHBondContact O-OG1 3.5Å
44R92.5Very high94.3Very high139 Ų13933.7 Ų33.753%0.52515%0.154SC..Hα-helixtrans-58.9-37.9-179.8-161.4-170.363.978.13.1112.6W9 A40 E41 G46 L164W9-R44 HydrophobicContact CH2-CB 4.22Å; W9-R44 HydrophobicContact CZ2-CB 4.36Å; W9-R44 HydrophobicContact CZ2-CG 4.37Å; A40-R44 WeakPolarHBondContact O-CB 2.92Å; A40-R44 PolarHBondContact O-N 2.79Å; E41-R44 PolarHBondContact O-N 2.86Å; E41-R44 IonicContact OE1-CZ 2.85Å; E41-R44 IonicContact OE1-NE 2.84Å; E41-R44 IonicContact OE1-NH2 3.69Å; E41-R44 PolarHBondContact OE1-NH2 2.76Å; E41-R44 IonicContact OE2-CZ 2.86Å; E41-R44 IonicContact OE2-NE 3.29Å; E41-R44 PolarHBondContact OE2-NE 3.36Å; E41-R44 IonicContact OE2-NH2 3.46Å; E41-R44 PolarHBondContact OE2-NH2 2.87Å; R44-G46 PolarHBondContact O-N 3.42Å; R44-L164 HydrophobicContact CB-CD1 3.44Å; R44-L164 VanDerWaalsContact CB-CD1 3.44Å; R44-L164 HydrophobicContact CG-CD1 3.82Å
45R92.3Very high94.4Very high103 Ų10334 Ų3439%0.38915%0.153SC..THydrogen-bonded Turntrans-74.4-8.1176.8-70.9178.1-172.9-1716.8113.4E41 L42 C43 Y47E41-R45 WeakPolarHBondContact O-CB 3.11Å; E41-R45 VanDerWaalsContact O-CG 3.28Å; E41-R45 WeakPolarHBondContact O-CG 3.46Å; E41-R45 PolarHBondContact O-N 3.22Å; E41-R45 IonicContact OE1-CZ 2.58Å; E41-R45 VanDerWaalsContact OE1-CZ 3.24Å; E41-R45 IonicContact OE1-NE 3.14Å; E41-R45 PolarHBondContact OE1-NE 2.84Å; E41-R45 IonicContact OE1-NH2 3.22Å; E41-R45 PolarHBondContact OE1-NH2 3.35Å; L42-R45 PolarHBondContact O-N 3.44Å; C43-R45 VanDerWaalsContact C-N 3.27Å; C43-R45 PolarHBondContact O-N 2.82Å; R45-Y47 VanDerWaalsContact C-N 3.26Å; R45-Y47 PolarHBondContact O-N 3.48Å
46G93.1Very high94.4Very high21 Ų2134.1 Ų34.122%0.21615%0.153CC..THydrogen-bonded Turntrans70.621.6-172.600000113.3L42 C43 R44 Y48 N49L42-G46 PolarHBondContact O-N 2.85Å; C43-G46 WeakPolarHBondContact O-CA 3.26Å; C43-G46 PolarHBondContact O-N 2.84Å; R44-G46 PolarHBondContact O-N 3.42Å; G46-Y48 PolarHBondContact O-N 2.75Å; G46-N49 WeakPolarHBondContact CA-ND2 3.37Å; G46-N49 VanDerWaalsContact O-CB 3.25Å; G46-N49 WeakPolarHBondContact O-CB 3.18Å; G46-N49 PolarHBondContact O-N 3.38Å
47Y93.9Very high94.3Very high69 Ų6935.8 Ų35.827%0.27116%0.162SC..THydrogen-bonded Turntrans-61.6-33.5-178.8-173-92.7000112.3L42 R45 N49 T51 P67 G74 A75 S110L42-Y47 HydrophobicContact CB-CD1 4.4Å; L42-Y47 HydrophobicContact CB-CG 4.39Å; L42-Y47 HydrophobicContact CD1-CD1 4.48Å; L42-Y47 HydrophobicContact CD2-CD1 3.88Å; L42-Y47 HydrophobicContact CD2-CD2 3.88Å; L42-Y47 HydrophobicContact CD2-CE1 4.36Å; L42-Y47 HydrophobicContact CD2-CE2 4.36Å; L42-Y47 HydrophobicContact CD2-CG 3.61Å; L42-Y47 HydrophobicContact CG-CD1 4.47Å; L42-Y47 HydrophobicContact CG-CG 4.5Å; L42-Y47 WeakPolarHBondContact O-CB 3.47Å; L42-Y47 PolarHBondContact O-N 2.78Å; R45-Y47 VanDerWaalsContact C-N 3.26Å; R45-Y47 PolarHBondContact O-N 3.48Å; Y47-N49 VanDerWaalsContact C-N 3.34Å; Y47-T51 WeakPolarHBondContact O-CG2 3.35Å; Y47-P67 HydrophobicContact CD1-CG 3.96Å; Y47-P67 HydrophobicContact CE1-CG 3.25Å; Y47-P67 HydrophobicContact CE2-CG 4Å; Y47-P67 WeakPolarHBondContact OH-CG 3.48Å; Y47-G74 WeakPolarHBondContact OH-CA 3.19Å; Y47-A75 PolarHBondContact OH-N 3.32Å; Y47-S110 WeakPolarHBondContact CE1-OG 3.21Å
48Y95.4Very high94.2Very high1 Ų141.3 Ų41.30%0.00419%0.186CC..THydrogen-bonded Turntrans-86.7-1.2176.7-59.7-54000114F39 L42 C43 G46 N50 T51 G65 S110 F112F39-Y48 AromaticContact CD2-CE2 3.74Å; F39-Y48 HydrophobicContact CD2-CE2 3.74Å; F39-Y48 HydrophobicContact CE2-CD2 4.44Å; F39-Y48 AromaticContact CE2-CE2 3.78Å; F39-Y48 HydrophobicContact CE2-CE2 3.78Å; L42-Y48 HydrophobicContact CB-CD2 4.22Å; L42-Y48 HydrophobicContact CB-CE2 3.57Å; L42-Y48 HydrophobicContact CD1-CE2 4.45Å; L42-Y48 VanDerWaalsContact CD1-OH 3.26Å; L42-Y48 WeakPolarHBondContact CD1-OH 3.34Å; C43-Y48 WeakPolarHBondContact SG-CD2 3.35Å; G46-Y48 PolarHBondContact O-N 2.75Å; Y48-N50 PolarHBondContact O-N 3.49Å; Y48-T51 WeakPolarHBondContact O-CB 3.45Å; Y48-T51 WeakPolarHBondContact O-CG2 3.39Å; Y48-T51 PolarHBondContact O-N 3.04Å; Y48-T51 PolarHBondContact O-OG1 2.74Å; Y48-G65 VanDerWaalsContact CE1-CA 3.46Å; Y48-S110 WeakPolarHBondContact CE1-O 3.41Å; Y48-S110 PolarHBondContact OH-O 2.72Å; Y48-F112 HydrophobicContact CD1-CE1 4.19Å; Y48-F112 HydrophobicContact CE1-CD1 4.21Å; Y48-F112 AromaticContact CE1-CE1 3.96Å; Y48-F112 HydrophobicContact CE1-CE1 3.96Å; Y48-F112 HydrophobicContact CE2-CE1 4.45Å
49N93.5Very high93.9Very high66 Ų6647 Ų4735%0.35322%0.216SC..THydrogen-bonded Turntrans-68.1132.4179.6-64.2-5.2000110G46 Y47 T51 R161 T162G46-N49 WeakPolarHBondContact CA-ND2 3.37Å; G46-N49 VanDerWaalsContact O-CB 3.25Å; G46-N49 WeakPolarHBondContact O-CB 3.18Å; G46-N49 PolarHBondContact O-N 3.38Å; Y47-N49 VanDerWaalsContact C-N 3.34Å; N49-T51 PolarHBondContact O-N 2.91Å; N49-R161 WeakPolarHBondContact OD1-CA 3.25Å; N49-T162 PolarHBondContact OD1-N 3.31Å; N49-T162 VanDerWaalsContact OD1-N 3.16Å
50N93.3Very high93.8Very high113 Ų11348.9 Ų48.960%0.60423%0.225SC*.THydrogen-bonded Turntrans59.420.2-174.6-150.313.6000114.8Y48 K158 I159Y48-N50 PolarHBondContact O-N 3.49Å; N50-K158 WeakPolarHBondContact OD1-CD 3.48Å; N50-I159 WeakPolarHBondContact CA-O 3.17Å; N50-I159 PolarHBondContact N-O 3.27Å
51T94.3Very high93.8Very high6 Ų649.3 Ų49.34%0.03723%0.227CC..EExtended strand (participates in β ladder)trans-84.5151.5174.865.20000111.3Y47 Y48 N49 P67 K158 I159Y47-T51 WeakPolarHBondContact O-CG2 3.35Å; Y48-T51 WeakPolarHBondContact O-CB 3.45Å; Y48-T51 WeakPolarHBondContact O-CG2 3.39Å; Y48-T51 PolarHBondContact O-N 3.04Å; Y48-T51 PolarHBondContact O-OG1 2.74Å; N49-T51 PolarHBondContact O-N 2.91Å; T51-P67 HydrophobicContact CG2-CB 4.37Å; T51-P67 HydrophobicContact CG2-CG 4.45Å; T51-K158 CarbonylContact O-C 3.47Å; T51-K158 VanDerWaalsContact O-CA 3.23Å; T51-K158 WeakPolarHBondContact O-CA 3.39Å; T51-I159 PolarHBondContact N-O 2.73Å; T51-I159 PolarHBondContact O-N 3.09Å
52K94.1Very high93.9Very high62 Ų6249.3 Ų49.327%0.2723%0.227SC..EExtended strand (participates in β ladder)trans-102151.5-173.9-49-169.1-175.7-178.70112.5H54 A69 D156 I157 K158K52-H54 PolarHBondContact O-N 2.93Å; K52-H54 VanDerWaalsContact O-N 3.16Å; K52-A69 HydrophobicContact CB-CB 4.34Å; K52-A69 HydrophobicContact CD-CB 4.18Å; K52-A69 HydrophobicContact CG-CB 4.3Å; K52-D156 HydrophobicContact CD-CB 4.42Å; K52-D156 WeakPolarHBondContact CD-OD1 3.42Å; K52-D156 VanDerWaalsContact CE-OD2 3.23Å; K52-D156 WeakPolarHBondContact CE-OD2 3.49Å; K52-D156 IonicContact NZ-OD1 2.71Å; K52-D156 PolarHBondContact NZ-OD1 3.09Å; K52-D156 IonicContact NZ-OD2 3.24Å; K52-D156 PolarHBondContact NZ-OD2 3.16Å; K52-I157 WeakPolarHBondContact CA-O 3.12Å; K52-K158 HydrophobicContact CG-CD 4.49Å; K52-K158 HydrophobicContact CG-CG 4.17Å
53F94.9Very high93.9Very high4 Ų450 Ų502%0.01823%0.23CC..  trans-73.598.7157.1-67.1-88.5000107.7T18 R55 I56 V62 Q63 A64 I142 P153 I157 I159T18-F53 HydrophobicContact CG2-CE2 3.98Å; T18-F53 HydrophobicContact CG2-CZ 4.28Å; F53-R55 VanDerWaalsContact C-N 3.34Å; F53-I56 HydrophobicContact CB-CD1 3.96Å; F53-I56 HydrophobicContact CB-CG1 4.13Å; F53-V62 HydrophobicContact CD1-CB 4.07Å; F53-V62 HydrophobicContact CD1-CG2 4.06Å; F53-V62 HydrophobicContact CE1-CB 4.46Å; F53-V62 HydrophobicContact CE1-CG2 3.95Å; F53-Q63 CarbonylContact C-O 3.44Å; F53-Q63 VanDerWaalsContact CA-O 3.3Å; F53-Q63 WeakPolarHBondContact CA-O 3.5Å; F53-A64 HydrophobicContact CD1-CB 3.62Å; F53-A64 HydrophobicContact CE1-CB 3.75Å; F53-A64 HydrophobicContact CG-CB 4.16Å; F53-A64 HydrophobicContact CZ-CB 4.4Å; F53-I142 HydrophobicContact CE2-CD1 4.26Å; F53-I142 HydrophobicContact CG-CG2 4.43Å; F53-I142 HydrophobicContact CZ-CD1 4.37Å; F53-P153 WeakPolarHBondContact O-CD 3.37Å; F53-P153 VanDerWaalsContact O-CG 3.26Å; F53-P153 WeakPolarHBondContact O-CG 3.17Å; F53-I157 HydrophobicContact CD2-CB 4.02Å; F53-I157 HydrophobicContact CD2-CG2 3.58Å; F53-I157 HydrophobicContact CE2-CG2 4.01Å; F53-I157 PolarHBondContact N-O 3.22Å; F53-I159 HydrophobicContact CE2-CD1 4.46Å; F53-I159 HydrophobicContact CE2-CG1 3.77Å; F53-I159 HydrophobicContact CZ-CD1 4.26Å; F53-I159 HydrophobicContact CZ-CG1 3.99Å
54H93.5Very high94Very high14 Ų1449.9 Ų49.97%0.06523%0.229CC..  trans-88.3-6.7-173.862-92.1000112.5K52 Q63 Q111 R152K52-H54 PolarHBondContact O-N 2.93Å; K52-H54 VanDerWaalsContact O-N 3.16Å; H54-Q63 PolarHBondContact N-O 3.43Å; H54-Q63 VanDerWaalsContact N-O 3.16Å; H54-Q63 PolarHBondContact NE2-NE2 3.02Å; H54-Q111 PolarHBondContact CE1-OE1 3.38Å; H54-Q111 PolarHBondContact NE2-OE1 3Å; H54-R152 WeakPolarHBondContact O-CG 3.24Å
55R94.9Very high93.9Very high93 Ų9343.2 Ų43.235%0.35120%0.204SC..EExtended strand (participates in β ladder)trans-148.3126.2174.8-159.1-175.9178.3-167-1.7110.5F53 Q63 D151F53-R55 VanDerWaalsContact C-N 3.34Å; R55-Q63 HydrophobicContact CB-CB 3.97Å; R55-Q63 PolarHBondContact O-N 3.3Å; R55-D151 CarbonylContact C-O 3.54Å; R55-D151 WeakPolarHBondContact CA-O 3.37Å; R55-D151 HydrophobicContact CG-CB 3.64Å; R55-D151 IonicContact CZ-OD2 3.34Å; R55-D151 IonicContact NE-OD2 2.59Å; R55-D151 PolarHBondContact NE-OD2 3.07Å; R55-D151 IonicContact NH2-OD2 3.73Å; R55-D151 PolarHBondContact NH2-OD2 3.03Å
56I95.8Very high93.9Very high1 Ų138.3 Ų38.31%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-134.6121.5179.9-64.9179.3000107.2F53 V62 I142 V145 T147 D151 P153 I157F53-I56 HydrophobicContact CB-CD1 3.96Å; F53-I56 HydrophobicContact CB-CG1 4.13Å; I56-V62 HydrophobicContact CB-CG1 4.47Å; I56-V62 HydrophobicContact CG1-CB 4.24Å; I56-V62 HydrophobicContact CG1-CG1 4.14Å; I56-V62 HydrophobicContact CG2-CG1 4.04Å; I56-I142 HydrophobicContact CD1-CG2 3.75Å; I56-I142 WeakPolarHBondContact CG2-O 3.38Å; I56-V145 HydrophobicContact CD1-CG2 3.72Å; I56-V145 HydrophobicContact CG2-CG2 4.26Å; I56-T147 HydrophobicContact CB-CG2 3.87Å; I56-T147 HydrophobicContact CG2-CG2 4.14Å; I56-T147 WeakPolarHBondContact O-CG2 3.2Å; I56-D151 PolarHBondContact N-O 3.03Å; I56-P153 HydrophobicContact CD1-CB 4.06Å; I56-P153 HydrophobicContact CD1-CG 4.01Å; I56-I157 HydrophobicContact CD1-CD1 3.82Å
57I93.9Very high93.7Very high36 Ų3640.1 Ų40.119%0.18519%0.193CC..EExtended strand (participates in β ladder)trans-124.3114.4177.3-58.6170.5000107.2D59 F60 M61 D151I57-D59 PolarHBondContact O-N 2.9Å; I57-F60 HydrophobicContact CB-CB 3.94Å; I57-F60 HydrophobicContact CB-CD1 3.93Å; I57-F60 HydrophobicContact CB-CG 4.44Å; I57-F60 HydrophobicContact CD1-CD1 3.67Å; I57-F60 HydrophobicContact CD1-CE1 4.12Å; I57-F60 HydrophobicContact CG1-CD1 4.38Å; I57-F60 HydrophobicContact CG2-CB 3.64Å; I57-F60 HydrophobicContact CG2-CD1 3.95Å; I57-F60 HydrophobicContact CG2-CG 4.28Å; I57-F60 PolarHBondContact O-N 3.31Å; I57-M61 HydrophobicContact CD1-CE 4.36Å; I57-M61 PolarHBondContact N-O 3.18Å; I57-M61 PolarHBondContact O-N 3.3Å; I57-M61 VanDerWaalsContact O-N 3.1Å; I57-D151 HydrophobicContact CD1-CB 4.38Å; I57-D151 WeakPolarHBondContact CD1-OD2 3.48Å; I57-D151 HydrophobicContact CG1-CB 3.8Å
58K92.5Very high93.5Very high131 Ų13140.8 Ų40.857%0.5721%0.205SC*.THydrogen-bonded Turntrans-53.6136.7179.5-173.8-179.5172.6179.30110.6F60 L144K58-F60 PolarHBondContact O-N 2.85Å; K58-L144 HydrophobicContact CD-CD2 4.24Å; K58-L144 HydrophobicContact CG-CD2 4.4Å
59D89.7Confident93Very high118 Ų11841.9 Ų41.963%0.63121%0.214SC*.THydrogen-bonded Turntrans59.611.9-179-53.6-41.8000114.9I57I57-D59 PolarHBondContact O-N 2.9Å
60F93.1Very high92.6Very high41 Ų4141.9 Ų41.918%0.1822%0.216CC..THydrogen-bonded Turntrans-122.4-76.6177.4-179.1-138.4000112I57 K58 L116 T119 W121 L122I57-F60 HydrophobicContact CB-CB 3.94Å; I57-F60 HydrophobicContact CB-CD1 3.93Å; I57-F60 HydrophobicContact CB-CG 4.44Å; I57-F60 HydrophobicContact CD1-CD1 3.67Å; I57-F60 HydrophobicContact CD1-CE1 4.12Å; I57-F60 HydrophobicContact CG1-CD1 4.38Å; I57-F60 HydrophobicContact CG2-CB 3.64Å; I57-F60 HydrophobicContact CG2-CD1 3.95Å; I57-F60 HydrophobicContact CG2-CG 4.28Å; I57-F60 PolarHBondContact O-N 3.31Å; K58-F60 PolarHBondContact O-N 2.85Å; F60-L116 PolarHBondContact O-N 3.32Å; F60-T119 HydrophobicContact CD2-CG2 3.41Å; F60-T119 VanDerWaalsContact CD2-CG2 3.41Å; F60-T119 HydrophobicContact CE2-CG2 3.56Å; F60-W121 AromaticContact CD2-CZ2 3.62Å; F60-W121 HydrophobicContact CD2-CZ2 3.62Å; F60-W121 AromaticContact CE2-CE2 3.76Å; F60-W121 AromaticContact CE2-CZ2 3.45Å; F60-W121 HydrophobicContact CE2-CZ2 3.45Å; F60-W121 VanDerWaalsContact CE2-CZ2 3.45Å; F60-W121 AromaticContact CE2-NE1 3.53Å; F60-W121 HydrophobicContact CZ-CZ2 4.44Å; F60-W121 AromaticContact CZ-NE1 3.89Å; F60-L122 HydrophobicContact CE2-CD1 3.94Å; F60-L122 HydrophobicContact CZ-CD1 4.09Å
61M95.1Very high92.1Very high9 Ų937.8 Ų37.84%0.04420%0.201CC..EExtended strand (participates in β ladder)trans-162.6162.2-177.362.4130.4-169.900113.5I57 Q63 F113 L114I57-M61 HydrophobicContact CD1-CE 4.36Å; I57-M61 PolarHBondContact N-O 3.18Å; I57-M61 PolarHBondContact O-N 3.3Å; I57-M61 VanDerWaalsContact O-N 3.1Å; M61-Q63 HydrophobicContact CE-CB 4.21Å; M61-Q63 HydrophobicContact SD-CB 4.06Å; M61-F113 HydrophobicContact CB-CB 4.39Å; M61-F113 HydrophobicContact CB-CD2 3.97Å; M61-F113 HydrophobicContact CG-CD2 4.47Å; M61-F113 HydrophobicContact SD-CB 3.45Å; M61-F113 WeakPolarHBondContact SD-CB 3.29Å; M61-F113 HydrophobicContact SD-CD1 4.44Å; M61-F113 HydrophobicContact SD-CD2 3.99Å; M61-F113 HydrophobicContact SD-CG 3.73Å; M61-L114 CarbonylContact C-O 3.44Å; M61-L114 VanDerWaalsContact CA-O 3.23Å; M61-L114 WeakPolarHBondContact CA-O 3.38Å; M61-L114 WeakPolarHBondContact CB-O 3.4Å
62V96.4Very high91.7Very high0 Ų048.7 Ų48.70%024%0.241CC..EExtended strand (participates in β ladder)trans-118.2128167.7-52.50000109.5F53 I56 F113 L114 L116 L139 I142F53-V62 HydrophobicContact CD1-CB 4.07Å; F53-V62 HydrophobicContact CD1-CG2 4.06Å; F53-V62 HydrophobicContact CE1-CB 4.46Å; F53-V62 HydrophobicContact CE1-CG2 3.95Å; I56-V62 HydrophobicContact CB-CG1 4.47Å; I56-V62 HydrophobicContact CG1-CB 4.24Å; I56-V62 HydrophobicContact CG1-CG1 4.14Å; I56-V62 HydrophobicContact CG2-CG1 4.04Å; V62-F113 CarbonylContact O-C 3.44Å; V62-F113 WeakPolarHBondContact O-CA 3.44Å; V62-F113 WeakPolarHBondContact O-CB 3.26Å; V62-L114 HydrophobicContact CG2-CB 3.79Å; V62-L114 HydrophobicContact CG2-CD1 4.47Å; V62-L114 PolarHBondContact N-O 2.93Å; V62-L114 PolarHBondContact O-N 2.95Å; V62-L116 HydrophobicContact CG1-CD1 3.81Å; V62-L116 HydrophobicContact CG1-CD2 4.22Å; V62-L116 HydrophobicContact CG1-CG 4.15Å; V62-L139 HydrophobicContact CG1-CD1 4.43Å; V62-L139 HydrophobicContact CG2-CD1 3.41Å; V62-L139 VanDerWaalsContact CG2-CD1 3.41Å; V62-I142 HydrophobicContact CB-CG2 4.37Å; V62-I142 HydrophobicContact CG1-CG2 4.02Å
63Q96.2Very high91.3Very high20 Ų2046.8 Ų46.89%0.09324%0.24CC..EExtended strand (participates in β ladder)trans-114.3135-174.5-169179.9-20.200110.9F53 H54 R55 M61 A101 F112 F113F53-Q63 CarbonylContact C-O 3.44Å; F53-Q63 VanDerWaalsContact CA-O 3.3Å; F53-Q63 WeakPolarHBondContact CA-O 3.5Å; H54-Q63 PolarHBondContact N-O 3.43Å; H54-Q63 VanDerWaalsContact N-O 3.16Å; H54-Q63 PolarHBondContact NE2-NE2 3.02Å; R55-Q63 HydrophobicContact CB-CB 3.97Å; R55-Q63 PolarHBondContact O-N 3.3Å; M61-Q63 HydrophobicContact CE-CB 4.21Å; M61-Q63 HydrophobicContact SD-CB 4.06Å; Q63-A101 HydrophobicContact CG-CB 4.34Å; Q63-F112 WeakPolarHBondContact CA-O 3.38Å; Q63-F113 HydrophobicContact CB-CB 4.23Å; Q63-F113 HydrophobicContact CG-CB 4.38Å
64A94.8Very high90.9Very high0 Ų048.1 Ų48.10%026%0.255CS..EExtended strand (participates in β ladder)trans-144.9-168.6-179.900000110.9F53 Q111 F112 I159F53-A64 HydrophobicContact CD1-CB 3.62Å; F53-A64 HydrophobicContact CE1-CB 3.75Å; F53-A64 HydrophobicContact CG-CB 4.16Å; F53-A64 HydrophobicContact CZ-CB 4.4Å; A64-Q111 VanDerWaalsContact O-CA 3.3Å; A64-Q111 WeakPolarHBondContact O-CA 3.42Å; A64-F112 HydrophobicContact CB-CE1 4.22Å; A64-F112 HydrophobicContact CB-CE2 4.28Å; A64-F112 HydrophobicContact CB-CZ 3.91Å; A64-F112 PolarHBondContact N-O 3.42Å; A64-F112 PolarHBondContact O-N 3.42Å; A64-I159 HydrophobicContact CB-CD1 4.13Å
65G91.1Very high90.8Very high0 Ų049.9 Ų49.90%027%0.271CS..  trans89.112.4173.500000115.3Y48 S110Y48-G65 VanDerWaalsContact CE1-CA 3.46Å; G65-S110 CarbonylContact O-C 3.44Å; G65-S110 WeakPolarHBondContact O-CB 3.35Å; G65-S110 PolarHBondContact O-OG 2.81Å
66D92.3Very high90.7Very high0 Ų045.9 Ų45.90%026%0.258CS..  trans-103.9110.2168-177.80.8000110.2T68 A69 T70 G71 R72 G73 Q111D66-T68 PolarHBondContact O-N 2.84Å; D66-T68 WeakPolarHBondContact OD1-CA 3Å; D66-T68 WeakPolarHBondContact OD1-CB 3.12Å; D66-T68 PolarHBondContact OD1-N 3.3Å; D66-T68 PolarHBondContact OD1-OG1 2.94Å; D66-T68 PolarHBondContact OD2-OG1 2.94Å; D66-A69 PolarHBondContact O-N 2.88Å; D66-T70 PolarHBondContact OD2-N 2.8Å; D66-T70 PolarHBondContact OD2-OG1 2.78Å; D66-G71 WeakPolarHBondContact OD2-CA 3.39Å; D66-G71 PolarHBondContact OD2-N 2.91Å; D66-R72 PolarHBondContact OD2-N 3.16Å; D66-G73 WeakPolarHBondContact OD1-CA 3.3Å; D66-G73 PolarHBondContact OD2-N 3.16Å; D66-G73 VanDerWaalsContact OD2-N 3.17Å; D66-Q111 HydrophobicContact CB-CG 3.97Å
67P89.4Confident90.5Very high59 Ų5946.7 Ų46.738%0.38326%0.262SS..THydrogen-bonded Turntrans-62.6-24176.1-21.732.5000114.3Y47 T51 A69Y47-P67 HydrophobicContact CD1-CG 3.96Å; Y47-P67 HydrophobicContact CE1-CG 3.25Å; Y47-P67 HydrophobicContact CE2-CG 4Å; Y47-P67 WeakPolarHBondContact OH-CG 3.48Å; T51-P67 HydrophobicContact CG2-CB 4.37Å; T51-P67 HydrophobicContact CG2-CG 4.45Å; P67-A69 VanDerWaalsContact C-N 3.3Å
68T88.5Confident90.4Very high83 Ų8348.1 Ų48.151%0.50927%0.265SS..THydrogen-bonded Turntrans-82.3-12176.572.70000112.4D66 T70D66-T68 PolarHBondContact O-N 2.84Å; D66-T68 WeakPolarHBondContact OD1-CA 3Å; D66-T68 WeakPolarHBondContact OD1-CB 3.12Å; D66-T68 PolarHBondContact OD1-N 3.3Å; D66-T68 PolarHBondContact OD1-OG1 2.94Å; D66-T68 PolarHBondContact OD2-OG1 2.94Å; T68-T70 WeakPolarHBondContact O-CG2 3.41Å; T68-T70 PolarHBondContact O-N 3.13Å; T68-T70 VanDerWaalsContact O-N 3.08Å; T68-T70 PolarHBondContact OG1-N 3.07Å; T68-T70 PolarHBondContact OG1-OG1 2.79Å
69A85Confident90Very high23 Ų2345.2 Ų45.219%0.1927%0.273CS..SBendtrans53.121.6-173.800000114.4K52 D66 P67K52-A69 HydrophobicContact CB-CB 4.34Å; K52-A69 HydrophobicContact CD-CB 4.18Å; K52-A69 HydrophobicContact CG-CB 4.3Å; D66-A69 PolarHBondContact O-N 2.88Å; P67-A69 VanDerWaalsContact C-N 3.3Å
70T85.4Confident89.8Confident67 Ų6747.4 Ų47.441%0.41128%0.277SS..SBendtrans-88.7-22.1-179.863.50000112.3D66 T68 R72 R152D66-T70 PolarHBondContact OD2-N 2.8Å; D66-T70 PolarHBondContact OD2-OG1 2.78Å; T68-T70 WeakPolarHBondContact O-CG2 3.41Å; T68-T70 PolarHBondContact O-N 3.13Å; T68-T70 VanDerWaalsContact O-N 3.08Å; T68-T70 PolarHBondContact OG1-N 3.07Å; T68-T70 PolarHBondContact OG1-OG1 2.79Å; T70-R72 VanDerWaalsContact C-N 3.28Å; T70-R72 PolarHBondContact OG1-N 2.97Å; T70-R152 PolarHBondContact O-NH2 3.15Å
71G83.4Confident89.7Confident27 Ų2750.9 Ų50.928%0.27829%0.293SS..SBendtrans83-0.3-168.600000113.3D66 Q111D66-G71 WeakPolarHBondContact OD2-CA 3.39Å; D66-G71 PolarHBondContact OD2-N 2.91Å; G71-Q111 PolarHBondContact O-NE2 3.28Å
72R84.9Confident89.6Confident234 Ų23451.2 Ų51.288%0.88330%0.295SS*.SBendtrans-115-12.1-178.2-59.7-176.4-177.2-168.50113.2D66 T70D66-R72 PolarHBondContact OD2-N 3.16Å; T70-R72 VanDerWaalsContact C-N 3.28Å; T70-R72 PolarHBondContact OG1-N 2.97Å
73G86.3Confident89.5Confident23 Ų2355.7 Ų55.724%0.23732%0.316CS..  trans-90.2-169.8179.800000112.8D66 Q111D66-G73 WeakPolarHBondContact OD1-CA 3.3Å; D66-G73 PolarHBondContact OD2-N 3.16Å; D66-G73 VanDerWaalsContact OD2-N 3.17Å; G73-Q111 PolarHBondContact O-NE2 2.9Å
74G86.3Confident89.4Confident32 Ų3256 Ų5633%0.3332%0.318SS..  trans104.6138.1-179.900000112.9Y47 S110Y47-G74 WeakPolarHBondContact OH-CA 3.19Å; G74-S110 WeakPolarHBondContact CA-OG 3.3Å
75A90.9Very high89.3Confident50 Ų5057.2 Ų57.241%0.41332%0.324SS..  trans-135.4141.4-179.400000110.3Y47 S110Y47-A75 PolarHBondContact OH-N 3.32Å; A75-S110 PolarHBondContact N-OG 3.31Å; A75-S110 WeakPolarHBondContact O-CB 3.37Å
76S93.1Very high89.3Confident10 Ų1061.2 Ų61.27%0.0735%0.345CS..  trans-77.9166.6175.284.40000111.3N38 Y78 G79 K80N38-S76 WeakPolarHBondContact OD1-CA 3.42Å; N38-S76 VanDerWaalsContact OD1-CB 3.28Å; N38-S76 WeakPolarHBondContact OD1-CB 3.34Å; S76-Y78 PolarHBondContact O-N 2.98Å; S76-Y78 WeakPolarHBondContact OG-CB 3.32Å; S76-Y78 PolarHBondContact OG-N 3.03Å; S76-G79 PolarHBondContact O-N 2.89Å; S76-K80 PolarHBondContact OG-O 2.91Å
77I93Very high89.2Confident17 Ų1764.6 Ų64.69%0.08736%0.36CS..THydrogen-bonded Turntrans-66.6-15.2171.868.6170.3000113.3I4 K37 N38 E41 L42 G79I4-I77 HydrophobicContact CG2-CD1 4.12Å; K37-I77 HydrophobicContact CD-CD1 4.37Å; K37-I77 HydrophobicContact CG-CD1 4.02Å; N38-I77 HydrophobicContact CB-CG1 4.28Å; N38-I77 PolarHBondContact OD1-N 3Å; E41-I77 HydrophobicContact CB-CD1 4.06Å; E41-I77 HydrophobicContact CB-CG2 3.92Å; E41-I77 HydrophobicContact CG-CB 4.39Å; E41-I77 HydrophobicContact CG-CD1 4.21Å; E41-I77 HydrophobicContact CG-CG2 3.71Å; L42-I77 HydrophobicContact CD2-CG2 3.86Å; L42-I77 HydrophobicContact CG-CG2 3.77Å; I77-G79 VanDerWaalsContact C-N 3.3Å
78Y90.9Very high89.1Confident66 Ų6666.6 Ų66.626%0.25937%0.373SS..THydrogen-bonded Turntrans-86.6-0.5-179.2-52.5-68.8000112.7I4 K34 N38 S76 K80 F82I4-Y78 HydrophobicContact CD1-CD1 3.79Å; I4-Y78 HydrophobicContact CD1-CE1 4.15Å; I4-Y78 HydrophobicContact CG2-CE1 4.39Å; K34-Y78 WeakPolarHBondContact CA-OH 3.44Å; K34-Y78 PolarHBondContact O-OH 2.89Å; K34-Y78 VanDerWaalsContact O-OH 3.07Å; N38-Y78 HydrophobicContact CB-CE2 4.07Å; S76-Y78 PolarHBondContact O-N 2.98Å; S76-Y78 WeakPolarHBondContact OG-CB 3.32Å; S76-Y78 PolarHBondContact OG-N 3.03Å; Y78-K80 PolarHBondContact O-N 2.97Å; Y78-K80 VanDerWaalsContact O-N 3.15Å; Y78-F82 HydrophobicContact CD2-CB 3.94Å; Y78-F82 AromaticContact CD2-CD1 3.97Å; Y78-F82 HydrophobicContact CD2-CD1 3.97Å; Y78-F82 AromaticContact CD2-CG 3.97Å; Y78-F82 HydrophobicContact CD2-CG 3.97Å; Y78-F82 HydrophobicContact CE2-CB 4.4Å; Y78-F82 HydrophobicContact CE2-CD1 4.28Å; Y78-F82 HydrophobicContact CE2-CD2 4.45Å; Y78-F82 HydrophobicContact CE2-CG 4.13Å
79G84.5Confident89.2Confident71 Ų7168.5 Ų68.573%0.73238%0.38SS*.SBendtrans78-13.2178.300000115S76 I77S76-G79 PolarHBondContact O-N 2.89Å; I77-G79 VanDerWaalsContact C-N 3.3Å
80K85.6Confident89.5Confident164 Ų16468.9 Ų68.971%0.71338%0.379SS*.SBendtrans-137.2176.3174.658.7172.3-178.2178.70110.6S76 Y78S76-K80 PolarHBondContact OG-O 2.91Å; Y78-K80 PolarHBondContact O-N 2.97Å; Y78-K80 VanDerWaalsContact O-N 3.15Å
81Q91.4Very high89.9Confident113 Ų11371.2 Ų71.253%0.52838%0.383SS..  trans-60.1149.8168.4-70.7171.5-21.800111.2N108Q81-N108 VanDerWaalsContact CA-O 3.23Å; Q81-N108 WeakPolarHBondContact CA-O 3.42Å
82F93.1Very high90.4Very high17 Ų1769.9 Ų69.98%0.07537%0.37CS..BIsolated β-bridgetrans-126.8160.2179.570.2-85.3000112.3T35 N38 Y78 M100 D106 N108 G109T35-F82 HydrophobicContact CG2-CE2 4.43Å; T35-F82 HydrophobicContact CG2-CZ 4.33Å; N38-F82 HydrophobicContact CB-CE1 4.2Å; N38-F82 HydrophobicContact CB-CZ 4.15Å; Y78-F82 HydrophobicContact CD2-CB 3.94Å; Y78-F82 AromaticContact CD2-CD1 3.97Å; Y78-F82 HydrophobicContact CD2-CD1 3.97Å; Y78-F82 AromaticContact CD2-CG 3.97Å; Y78-F82 HydrophobicContact CD2-CG 3.97Å; Y78-F82 HydrophobicContact CE2-CB 4.4Å; Y78-F82 HydrophobicContact CE2-CD1 4.28Å; Y78-F82 HydrophobicContact CE2-CD2 4.45Å; Y78-F82 HydrophobicContact CE2-CG 4.13Å; F82-M100 HydrophobicContact CE1-CE 4.27Å; F82-M100 HydrophobicContact CZ-CE 4.07Å; F82-D106 CarbonylContact O-C 3.4Å; F82-D106 VanDerWaalsContact O-C 3.24Å; F82-D106 VanDerWaalsContact O-O 3.14Å; F82-N108 HydrophobicContact CD1-CB 3.7Å; F82-N108 WeakPolarHBondContact CD1-O 3.31Å; F82-N108 HydrophobicContact CD2-CB 3.98Å; F82-N108 HydrophobicContact CE1-CB 3.39Å; F82-N108 HydrophobicContact CE2-CB 3.68Å; F82-N108 HydrophobicContact CG-CB 3.99Å; F82-N108 HydrophobicContact CZ-CB 3.38Å; F82-N108 PolarHBondContact N-O 3.25Å; F82-N108 VanDerWaalsContact N-O 3.09Å; F82-N108 WeakPolarHBondContact O-CB 3.41Å; F82-N108 PolarHBondContact O-N 2.84Å; F82-N108 VanDerWaalsContact O-N 3.16Å; F82-N108 PolarHBondContact O-ND2 3.1Å; F82-G109 WeakPolarHBondContact CE1-O 3.44Å
83E93.9Very high90.7Very high94 Ų9463.7 Ų63.744%0.43936%0.358SS..  trans-60.2154.3-174.964.8-167-160.200113.9K34 D106 N108K34-E83 HydrophobicContact CD-CG 4.45Å; K34-E83 IonicContact NZ-OE1 2.91Å; K34-E83 PolarHBondContact NZ-OE1 3.28Å; K34-E83 IonicContact NZ-OE2 2.8Å; E83-D106 VanDerWaalsContact CA-OD1 3.23Å; E83-D106 WeakPolarHBondContact CA-OD1 3.23Å; E83-D106 HydrophobicContact CB-CB 4.49Å; E83-D106 WeakPolarHBondContact CB-OD1 3.26Å; E83-N108 PolarHBondContact O-ND2 3.06Å; E83-N108 VanDerWaalsContact O-ND2 3.09Å
84D93.3Very high91Very high26 Ų2663.5 Ų63.514%0.13936%0.356CS..  trans-77.4134171.9-73.1-54000111.2L86 N102 P105 D106 N108 S127D84-L86 HydrophobicContact CB-CD1 4.46Å; D84-L86 HydrophobicContact CB-CD2 4.13Å; D84-L86 HydrophobicContact CB-CG 3.97Å; D84-N102 PolarHBondContact OD1-ND2 2.7Å; D84-P105 WeakPolarHBondContact OD2-CA 3.4Å; D84-D106 PolarHBondContact N-OD1 3.46Å; D84-D106 PolarHBondContact OD2-N 3.43Å; D84-N108 PolarHBondContact OD1-ND2 3.17Å; D84-N108 PolarHBondContact OD1-OD1 3.18Å; D84-S127 VanDerWaalsContact CA-OG 3.25Å; D84-S127 WeakPolarHBondContact CA-OG 3.42Å; D84-S127 PolarHBondContact OD1-OG 2.85Å
85E93.1Very high91.4Very high25 Ų2564.1 Ų64.112%0.11736%0.358CS..  trans-103.179.8173.2-70.7177.5129.200109A32 P33 K34 T35 S127A32-E85 WeakPolarHBondContact CA-OE2 3.41Å; A32-E85 HydrophobicContact CB-CB 3.93Å; A32-E85 WeakPolarHBondContact CB-OE2 3.14Å; P33-E85 WeakPolarHBondContact CD-OE1 3.44Å; P33-E85 WeakPolarHBondContact CG-OE1 3.31Å; K34-E85 WeakPolarHBondContact CB-OE1 3.39Å; K34-E85 PolarHBondContact N-OE1 3.32Å; K34-E85 PolarHBondContact N-OE2 2.8Å; T35-E85 VanDerWaalsContact CB-OE2 3.28Å; T35-E85 WeakPolarHBondContact CB-OE2 3.28Å; T35-E85 PolarHBondContact N-OE2 3.42Å; T35-E85 PolarHBondContact OG1-OE2 2.91Å; E85-S127 PolarHBondContact N-OG 3Å
86L91.6Very high91.7Very high85 Ų8561.9 Ų61.945%0.44534%0.34SS..  trans-89124.8-178.6-54.5177.2000110.6D84 G124D84-L86 HydrophobicContact CB-CD1 4.46Å; D84-L86 HydrophobicContact CB-CD2 4.13Å; D84-L86 HydrophobicContact CB-CG 3.97Å; L86-G124 WeakPolarHBondContact CD1-O 3.46Å
87H89.8Confident91.9Very high71 Ų7162.3 Ų62.333%0.32934%0.341SS..  trans-120.7129.5178-150-83.3000110.8H31 D89 L90H31-H87 AromaticContact CD2-CD2 3.93Å; H31-H87 AromaticContact CD2-CE1 3.88Å; H31-H87 AromaticContact CD2-CG 3.73Å; H31-H87 AromaticContact CD2-ND1 3.7Å; H87-D89 IonicContact CE1-OD2 3.74Å; H87-D89 PolarHBondContact CE1-OD2 3.43Å; H87-D89 IonicContact ND1-OD2 3.32Å; H87-D89 PolarHBondContact ND1-OD2 3.29Å; H87-D89 PolarHBondContact O-N 2.71Å; H87-L90 HydrophobicContact CB-CB 4.32Å; H87-L90 HydrophobicContact CB-CD1 4.17Å; H87-L90 HydrophobicContact CB-CG 4.1Å; H87-L90 PolarHBondContact O-N 3Å
88P87.2Confident92.1Very high100 Ų10061.5 Ų61.565%0.64934%0.337SS*.THydrogen-bonded Turntrans-63.4-25-176.624.4-34.2000113.8L90 K91P88-L90 VanDerWaalsContact C-N 3.35Å; P88-K91 VanDerWaalsContact O-CE 3.28Å; P88-K91 WeakPolarHBondContact O-CE 3.2Å
89D89.9Confident92.4Very high123 Ų12358.3 Ų58.366%0.65833%0.325SS*.THydrogen-bonded Turntrans-79-18.9178-57.2-32.7000113.1H87H87-D89 IonicContact CE1-OD2 3.74Å; H87-D89 PolarHBondContact CE1-OD2 3.43Å; H87-D89 IonicContact ND1-OD2 3.32Å; H87-D89 PolarHBondContact ND1-OD2 3.29Å; H87-D89 PolarHBondContact O-N 2.71Å
90L92.1Very high92.9Very high32 Ų3255 Ų5517%0.16829%0.29CS..  trans-97.1115177.9-63.1-177.2000109.4Y28 H31 H87 P88 I128Y28-L90 HydrophobicContact CD2-CD1 4.04Å; Y28-L90 HydrophobicContact CD2-CD2 3.95Å; Y28-L90 HydrophobicContact CE2-CD2 3.93Å; H31-L90 HydrophobicContact CB-CD1 3.56Å; H31-L90 HydrophobicContact CB-CG 4.46Å; H87-L90 HydrophobicContact CB-CB 4.32Å; H87-L90 HydrophobicContact CB-CD1 4.17Å; H87-L90 HydrophobicContact CB-CG 4.1Å; H87-L90 PolarHBondContact O-N 3Å; P88-L90 VanDerWaalsContact C-N 3.35Å; L90-I128 HydrophobicContact CB-CB 4.03Å; L90-I128 HydrophobicContact CB-CD1 4Å; L90-I128 HydrophobicContact CB-CG2 4.2Å; L90-I128 HydrophobicContact CD1-CB 4.11Å; L90-I128 HydrophobicContact CD1-CG2 4.08Å; L90-I128 WeakPolarHBondContact CD1-O 3.37Å
91K93.4Very high93.4Very high115 Ų11547.8 Ų47.850%0.526%0.261SS..  trans-130.9153.1-179.4-58.7-169.7-177.6-160.50110.8P88 T93 I97P88-K91 VanDerWaalsContact O-CE 3.28Å; P88-K91 WeakPolarHBondContact O-CE 3.2Å; K91-T93 HydrophobicContact CB-CG2 3.9Å; K91-T93 PolarHBondContact O-N 3.15Å; K91-I97 WeakPolarHBondContact O-CD1 2.96Å
92F93.5Very high93.3Very high0 Ų044.3 Ų44.30%025%0.246CC..  trans-78.467.6176.2-69.9-76.4000111.8I97 A99 F113 T115 T119 L122 D123 H126 I128F92-I97 HydrophobicContact CD1-CB 4.24Å; F92-I97 HydrophobicContact CD1-CD1 4.37Å; F92-I97 HydrophobicContact CD1-CG2 3.83Å; F92-I97 HydrophobicContact CE1-CG2 3.83Å; F92-A99 HydrophobicContact CE1-CB 3.58Å; F92-A99 HydrophobicContact CZ-CB 3.47Å; F92-A99 VanDerWaalsContact CZ-CB 3.47Å; F92-F113 AromaticContact CE1-CE2 3.71Å; F92-F113 HydrophobicContact CE1-CE2 3.71Å; F92-F113 AromaticContact CE1-CZ 3.88Å; F92-F113 HydrophobicContact CE1-CZ 3.88Å; F92-F113 HydrophobicContact CZ-CE2 4.09Å; F92-F113 AromaticContact CZ-CZ 3.75Å; F92-F113 HydrophobicContact CZ-CZ 3.75Å; F92-T115 HydrophobicContact CD1-CG2 3.58Å; F92-T115 HydrophobicContact CE1-CG2 3.95Å; F92-T119 WeakPolarHBondContact CB-O 3.38Å; F92-T119 WeakPolarHBondContact CB-OG1 3.4Å; F92-T119 WeakPolarHBondContact CG-OG1 3.4Å; F92-T119 PolarHBondContact O-N 2.94Å; F92-L122 HydrophobicContact CD2-CB 3.54Å; F92-L122 HydrophobicContact CE2-CB 3.55Å; F92-L122 WeakPolarHBondContact CE2-O 3.18Å; F92-L122 HydrophobicContact CG-CB 4.26Å; F92-L122 HydrophobicContact CZ-CB 4.26Å; F92-D123 WeakPolarHBondContact CB-OD1 3.49Å; F92-D123 VanDerWaalsContact CD2-OD1 3.28Å; F92-D123 WeakPolarHBondContact CD2-OD1 3.21Å; F92-D123 PolarHBondContact N-OD1 2.84Å; F92-H126 HydrophobicContact CE2-CB 4.14Å; F92-H126 HydrophobicContact CZ-CB 3.93Å; F92-I128 HydrophobicContact CD1-CD1 4.15Å; F92-I128 HydrophobicContact CD1-CG1 4.34Å; F92-I128 HydrophobicContact CD2-CD1 3.89Å; F92-I128 HydrophobicContact CD2-CG1 4.37Å; F92-I128 HydrophobicContact CE1-CD1 4.07Å; F92-I128 HydrophobicContact CE1-CG1 3.76Å; F92-I128 HydrophobicContact CE2-CD1 3.78Å; F92-I128 HydrophobicContact CE2-CG1 3.78Å; F92-I128 HydrophobicContact CG-CD1 4.09Å; F92-I128 HydrophobicContact CZ-CD1 3.89Å; F92-I128 HydrophobicContact CZ-CG1 3.44Å; F92-I128 VanDerWaalsContact CZ-CG1 3.44Å
93T92.3Very high93.1Very high104 Ų10448.1 Ų48.164%0.63828%0.281SS*.  trans-81.3-14.2-173.955.40000114.3K91K91-T93 HydrophobicContact CB-CG2 3.9Å; K91-T93 PolarHBondContact O-N 3.15Å
94G92.3Very high92.7Very high19 Ų1944.9 Ų44.920%0.19627%0.273CS..SBendtrans-175.2-170.6-176.900000114.4I97 T115 G117G94-I97 WeakPolarHBondContact O-CD1 3.49Å; G94-T115 PolarHBondContact O-OG1 3.04Å; G94-G117 CarbonylContact C-O 3.57Å
95A95.4Very high92.5Very high45 Ų4548.9 Ų48.937%0.37230%0.3SS..THydrogen-bonded Turntrans-73153.5178.800000112.3T115 L116 M136A95-T115 WeakPolarHBondContact CA-O 3.18Å; A95-L116 VanDerWaalsContact CB-C 3.46Å; A95-L116 WeakPolarHBondContact CB-O 3.39Å; A95-M136 HydrophobicContact CB-CE 3.8Å
96G95.4Very high92.4Very high2 Ų251.9 Ų51.92%0.02132%0.317CS..THydrogen-bonded Turntrans84.19.7176.400000114.5T115 R131 V132G96-T115 PolarHBondContact N-O 2.89Å; G96-T115 PolarHBondContact N-OG1 3.01Å; G96-R131 CarbonylContact O-C 3.54Å; G96-R131 WeakPolarHBondContact O-CA 3.42Å; G96-V132 PolarHBondContact O-N 3.03Å
97I97.4Very high92.4Very high19 Ų1949.2 Ų49.210%0.09730%0.304CS..EExtended strand (participates in β ladder)trans-79.9131.2176.2-62.1172.9000108.8K91 F92 G94 L114 T115 I128K91-I97 WeakPolarHBondContact O-CD1 2.96Å; F92-I97 HydrophobicContact CD1-CB 4.24Å; F92-I97 HydrophobicContact CD1-CD1 4.37Å; F92-I97 HydrophobicContact CD1-CG2 3.83Å; F92-I97 HydrophobicContact CE1-CG2 3.83Å; G94-I97 WeakPolarHBondContact O-CD1 3.49Å; I97-L114 VanDerWaalsContact O-CA 3.31Å; I97-L114 WeakPolarHBondContact O-CA 3.45Å; I97-T115 HydrophobicContact CB-CG2 4.24Å; I97-T115 WeakPolarHBondContact CB-OG1 3.48Å; I97-T115 PolarHBondContact N-OG1 3.33Å; I97-T115 PolarHBondContact O-N 2.96Å; I97-I128 HydrophobicContact CG2-CB 4.46Å; I97-I128 HydrophobicContact CG2-CD1 4.22Å; I97-I128 HydrophobicContact CG2-CG1 4.04Å; I97-I128 HydrophobicContact CG2-CG2 3.64Å
98L97.4Very high92.5Very high0 Ų045.8 Ų45.80%029%0.289CS..EExtended strand (participates in β ladder)trans-98.1122.8178.2179.965.2000109.9V25 L27 F39 F112 L114 F129 G130V25-L98 HydrophobicContact CB-CD2 4.09Å; V25-L98 HydrophobicContact CG1-CD2 4.33Å; V25-L98 HydrophobicContact CG2-CD2 3.99Å; L27-L98 HydrophobicContact CD2-CD2 4.13Å; F39-L98 HydrophobicContact CE1-CD2 4.28Å; F39-L98 HydrophobicContact CZ-CD2 4.35Å; L98-F112 HydrophobicContact CD1-CB 4.26Å; L98-F112 HydrophobicContact CD1-CD2 3.45Å; L98-F112 VanDerWaalsContact CD1-CD2 3.45Å; L98-F112 HydrophobicContact CD1-CE2 4.12Å; L98-F112 HydrophobicContact CD1-CG 4.14Å; L98-L114 HydrophobicContact CB-CD2 3.82Å; L98-L114 HydrophobicContact CD1-CD2 3.74Å; L98-L114 HydrophobicContact CD1-CG 4.1Å; L98-L114 HydrophobicContact CG-CD2 4.35Å; L98-F129 HydrophobicContact CD1-CE1 4.29Å; L98-F129 HydrophobicContact CD1-CE2 4.41Å; L98-F129 HydrophobicContact CD1-CZ 3.83Å; L98-F129 HydrophobicContact CD2-CD2 3.94Å; L98-F129 HydrophobicContact CD2-CE1 4.39Å; L98-F129 HydrophobicContact CD2-CE2 3.28Å; L98-F129 HydrophobicContact CD2-CZ 3.57Å; L98-F129 HydrophobicContact CG-CD1 4.37Å; L98-F129 HydrophobicContact CG-CD2 4.23Å; L98-F129 HydrophobicContact CG-CE1 3.8Å; L98-F129 HydrophobicContact CG-CE2 3.63Å; L98-F129 HydrophobicContact CG-CZ 3.4Å; L98-F129 PolarHBondContact O-N 3.22Å; L98-G130 PolarHBondContact N-O 2.78Å; L98-G130 PolarHBondContact O-N 2.89Å
99A97.3Very high92.8Very high0 Ų041.6 Ų41.60%026%0.263CS..EExtended strand (participates in β ladder)trans-143.7159.3-178.300000113F92 F112 F113 H126 S127 I128 F129F92-A99 HydrophobicContact CE1-CB 3.58Å; F92-A99 HydrophobicContact CZ-CB 3.47Å; F92-A99 VanDerWaalsContact CZ-CB 3.47Å; A99-F112 CarbonylContact O-C 3.48Å; A99-F112 VanDerWaalsContact O-CA 3.29Å; A99-F112 WeakPolarHBondContact O-CA 3.46Å; A99-F112 WeakPolarHBondContact O-CB 3.32Å; A99-F113 HydrophobicContact CB-CD1 4.43Å; A99-F113 HydrophobicContact CB-CE1 3.8Å; A99-F113 HydrophobicContact CB-CE2 3.91Å; A99-F113 HydrophobicContact CB-CZ 3.51Å; A99-F113 PolarHBondContact N-O 3.39Å; A99-F113 PolarHBondContact O-N 2.86Å; A99-H126 HydrophobicContact CB-CB 4.45Å; A99-S127 CarbonylContact C-O 3.24Å; A99-S127 WeakPolarHBondContact CA-O 3.41Å; A99-S127 WeakPolarHBondContact CB-O 3.49Å; A99-I128 HydrophobicContact CB-CG1 4.27Å; A99-F129 VanDerWaalsContact C-CE1 3.44Å
100M96.3Very high93.1Very high0 Ų035.8 Ų35.80%023%0.232CC..EExtended strand (participates in β ladder)trans-80.9135.1-179.7-72-60.6-64.800112.1T35 F82 N108 G109 Q111 F112 F113 H126 S127 F129T35-M100 HydrophobicContact CG2-CG 3.23Å; T35-M100 HydrophobicContact CG2-SD 3.81Å; F82-M100 HydrophobicContact CE1-CE 4.27Å; F82-M100 HydrophobicContact CZ-CE 4.07Å; M100-N108 WeakPolarHBondContact CB-OD1 3.5Å; M100-N108 HydrophobicContact CE-CB 4.15Å; M100-G109 WeakPolarHBondContact CE-O 3.4Å; M100-Q111 WeakPolarHBondContact CE-O 3.37Å; M100-F112 HydrophobicContact SD-CB 4.4Å; M100-F113 WeakPolarHBondContact O-CE1 3.44Å; M100-H126 PolarHBondContact O-ND1 3Å; M100-S127 PolarHBondContact N-O 2.67Å; M100-F129 HydrophobicContact CG-CD1 3.86Å; M100-F129 HydrophobicContact CG-CE1 3.69Å; M100-F129 HydrophobicContact SD-CD1 4.27Å; M100-F129 HydrophobicContact SD-CE1 3.58Å; M100-F129 VanDerWaalsContact SD-CE1 3.58Å; M100-F129 HydrophobicContact SD-CZ 4.02Å
101A94.1Very high93.3Very high14 Ų1435.2 Ų35.212%0.11623%0.229CC..  trans-82.7134.1166.700000109.3Q63 Q111 F113Q63-A101 HydrophobicContact CG-CB 4.34Å; A101-Q111 HydrophobicContact CB-CB 3.79Å; A101-Q111 PolarHBondContact N-O 2.92Å; A101-F113 HydrophobicContact CB-CD1 4.26Å
102N91.1Very high93.4Very high39 Ų3929.7 Ų29.721%0.20921%0.205CC..  trans-136.7168.1179.964.222.2000110.1D84 K125 H126D84-N102 PolarHBondContact OD1-ND2 2.7Å; N102-K125 PolarHBondContact ND2-O 2.99Å; N102-H126 PolarHBondContact OD1-CE1 3.31Å; N102-H126 PolarHBondContact OD1-ND1 2.98Å
103A87.2Confident93.6Very high97 Ų9729.9 Ų29.980%0.80221%0.206SC*.SBendtrans-113.525.8177.800000111.8T107A103-T107 PolarHBondContact N-OG1 2.95Å
104G87.3Confident93.9Very high27 Ų2725 Ų2528%0.27818%0.176SC..SBendtrans135.1173-169.800000111.4D106 T107G104-D106 PolarHBondContact O-N 3.08Å; G104-T107 PolarHBondContact N-OG1 2.66Å; G104-T107 PolarHBondContact O-N 3Å; G104-T107 PolarHBondContact O-OG1 2.81Å
105P88.2Confident94.1Very high109 Ų10924.1 Ų24.171%0.70817%0.166SC*.THydrogen-bonded Turntrans-55.4135.8-179.5-23.733.7000112.1D84 T107D84-P105 WeakPolarHBondContact OD2-CA 3.4Å; P105-T107 VanDerWaalsContact C-N 3.26Å; P105-T107 WeakPolarHBondContact O-CG2 3.33Å; P105-T107 PolarHBondContact O-N 3.03Å
106D90.1Very high94.1Very high88 Ų8823 Ų2347%0.47115%0.154SC..THydrogen-bonded Turntrans61.726.8173.5-54.6-46.1000115.2F82 E83 D84 G104F82-D106 CarbonylContact O-C 3.4Å; F82-D106 VanDerWaalsContact O-C 3.24Å; F82-D106 VanDerWaalsContact O-O 3.14Å; E83-D106 VanDerWaalsContact CA-OD1 3.23Å; E83-D106 WeakPolarHBondContact CA-OD1 3.23Å; E83-D106 HydrophobicContact CB-CB 4.49Å; E83-D106 WeakPolarHBondContact CB-OD1 3.26Å; D84-D106 PolarHBondContact N-OD1 3.46Å; D84-D106 PolarHBondContact OD2-N 3.43Å; G104-D106 PolarHBondContact O-N 3.08Å
107T91.9Very high94.1Very high29 Ų2923.4 Ų23.418%0.17816%0.158CC..  trans-106.825.9-178.262.90000114.1A103 G104 P105 G109A103-T107 PolarHBondContact N-OG1 2.95Å; G104-T107 PolarHBondContact N-OG1 2.66Å; G104-T107 PolarHBondContact O-N 3Å; G104-T107 PolarHBondContact O-OG1 2.81Å; P105-T107 VanDerWaalsContact C-N 3.26Å; P105-T107 WeakPolarHBondContact O-CG2 3.33Å; P105-T107 PolarHBondContact O-N 3.03Å; T107-G109 PolarHBondContact O-N 3.33Å
108N92.9Very high93.9Very high0 Ų026.3 Ų26.30%018%0.178CC..BIsolated β-bridgetrans-66.5135-175.3-64.5-60.7000112.4Q81 F82 E83 D84 M100Q81-N108 VanDerWaalsContact CA-O 3.23Å; Q81-N108 WeakPolarHBondContact CA-O 3.42Å; F82-N108 HydrophobicContact CD1-CB 3.7Å; F82-N108 WeakPolarHBondContact CD1-O 3.31Å; F82-N108 HydrophobicContact CD2-CB 3.98Å; F82-N108 HydrophobicContact CE1-CB 3.39Å; F82-N108 HydrophobicContact CE2-CB 3.68Å; F82-N108 HydrophobicContact CG-CB 3.99Å; F82-N108 HydrophobicContact CZ-CB 3.38Å; F82-N108 PolarHBondContact N-O 3.25Å; F82-N108 VanDerWaalsContact N-O 3.09Å; F82-N108 WeakPolarHBondContact O-CB 3.41Å; F82-N108 PolarHBondContact O-N 2.84Å; F82-N108 VanDerWaalsContact O-N 3.16Å; F82-N108 PolarHBondContact O-ND2 3.1Å; E83-N108 PolarHBondContact O-ND2 3.06Å; E83-N108 VanDerWaalsContact O-ND2 3.09Å; D84-N108 PolarHBondContact OD1-ND2 3.17Å; D84-N108 PolarHBondContact OD1-OD1 3.18Å; M100-N108 WeakPolarHBondContact CB-OD1 3.5Å; M100-N108 HydrophobicContact CE-CB 4.15Å
109G93.6Very high93.6Very high12 Ų1226.3 Ų26.312%0.12418%0.178CC..  trans-120.3-117.4179.100000112.2N38 F82 M100 T107N38-G109 PolarHBondContact ND2-O 2.86Å; F82-G109 WeakPolarHBondContact CE1-O 3.44Å; M100-G109 WeakPolarHBondContact CE-O 3.4Å; T107-G109 PolarHBondContact O-N 3.33Å
110S95.4Very high93.3Very high0 Ų032.8 Ų32.80%021%0.208CC..SBendtrans-114.7-7.4171.960.20000113.2Y47 Y48 G65 G74 A75Y47-S110 WeakPolarHBondContact CE1-OG 3.21Å; Y48-S110 WeakPolarHBondContact CE1-O 3.41Å; Y48-S110 PolarHBondContact OH-O 2.72Å; G65-S110 CarbonylContact O-C 3.44Å; G65-S110 WeakPolarHBondContact O-CB 3.35Å; G65-S110 PolarHBondContact O-OG 2.81Å; G74-S110 WeakPolarHBondContact CA-OG 3.3Å; A75-S110 PolarHBondContact N-OG 3.31Å; A75-S110 WeakPolarHBondContact O-CB 3.37Å
111Q96.3Very high93.1Very high20 Ų2039.8 Ų39.89%0.09324%0.235CC..  trans-76.9138.3-178.1-64.3-170.64200110.6H54 A64 D66 G71 G73 M100 A101H54-Q111 PolarHBondContact CE1-OE1 3.38Å; H54-Q111 PolarHBondContact NE2-OE1 3Å; A64-Q111 VanDerWaalsContact O-CA 3.3Å; A64-Q111 WeakPolarHBondContact O-CA 3.42Å; D66-Q111 HydrophobicContact CB-CG 3.97Å; G71-Q111 PolarHBondContact O-NE2 3.28Å; G73-Q111 PolarHBondContact O-NE2 2.9Å; M100-Q111 WeakPolarHBondContact CE-O 3.37Å; A101-Q111 HydrophobicContact CB-CB 3.79Å; A101-Q111 PolarHBondContact N-O 2.92Å
112F96.9Very high93Very high0 Ų040 Ų400%023%0.234CC..EExtended strand (participates in β ladder)trans-139.4163.9179.267-89.7000109.6M16 F39 Y48 Q63 A64 L98 A99 M100 F129 I159M16-F112 HydrophobicContact SD-CE2 4.2Å; M16-F112 HydrophobicContact SD-CZ 3.95Å; F39-F112 HydrophobicContact CD2-CD1 4.18Å; F39-F112 AromaticContact CE2-CD1 3.68Å; F39-F112 HydrophobicContact CE2-CD1 3.68Å; F39-F112 HydrophobicContact CE2-CD2 4.37Å; F39-F112 AromaticContact CE2-CE1 3.67Å; F39-F112 HydrophobicContact CE2-CE1 3.67Å; F39-F112 HydrophobicContact CE2-CE2 4.36Å; F39-F112 HydrophobicContact CE2-CG 4.03Å; F39-F112 HydrophobicContact CE2-CZ 4.01Å; Y48-F112 HydrophobicContact CD1-CE1 4.19Å; Y48-F112 HydrophobicContact CE1-CD1 4.21Å; Y48-F112 AromaticContact CE1-CE1 3.96Å; Y48-F112 HydrophobicContact CE1-CE1 3.96Å; Y48-F112 HydrophobicContact CE2-CE1 4.45Å; Q63-F112 WeakPolarHBondContact CA-O 3.38Å; A64-F112 HydrophobicContact CB-CE1 4.22Å; A64-F112 HydrophobicContact CB-CE2 4.28Å; A64-F112 HydrophobicContact CB-CZ 3.91Å; A64-F112 PolarHBondContact N-O 3.42Å; A64-F112 PolarHBondContact O-N 3.42Å; L98-F112 HydrophobicContact CD1-CB 4.26Å; L98-F112 HydrophobicContact CD1-CD2 3.45Å; L98-F112 VanDerWaalsContact CD1-CD2 3.45Å; L98-F112 HydrophobicContact CD1-CE2 4.12Å; L98-F112 HydrophobicContact CD1-CG 4.14Å; A99-F112 CarbonylContact O-C 3.48Å; A99-F112 VanDerWaalsContact O-CA 3.29Å; A99-F112 WeakPolarHBondContact O-CA 3.46Å; A99-F112 WeakPolarHBondContact O-CB 3.32Å; M100-F112 HydrophobicContact SD-CB 4.4Å; F112-F129 HydrophobicContact CB-CE1 4.32Å; F112-F129 HydrophobicContact CB-CZ 4.19Å; F112-I159 HydrophobicContact CE1-CD1 4.42Å; F112-I159 HydrophobicContact CZ-CD1 3.83Å
113F97.2Very high92.8Very high4 Ų440.4 Ų40.42%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-136.2155.4172.265.6-88.4000112.2M61 V62 Q63 F92 A99 M100 A101 T115 L122 H126M61-F113 HydrophobicContact CB-CB 4.39Å; M61-F113 HydrophobicContact CB-CD2 3.97Å; M61-F113 HydrophobicContact CG-CD2 4.47Å; M61-F113 HydrophobicContact SD-CB 3.45Å; M61-F113 WeakPolarHBondContact SD-CB 3.29Å; M61-F113 HydrophobicContact SD-CD1 4.44Å; M61-F113 HydrophobicContact SD-CD2 3.99Å; M61-F113 HydrophobicContact SD-CG 3.73Å; V62-F113 CarbonylContact O-C 3.44Å; V62-F113 WeakPolarHBondContact O-CA 3.44Å; V62-F113 WeakPolarHBondContact O-CB 3.26Å; Q63-F113 HydrophobicContact CB-CB 4.23Å; Q63-F113 HydrophobicContact CG-CB 4.38Å; F92-F113 AromaticContact CE1-CE2 3.71Å; F92-F113 HydrophobicContact CE1-CE2 3.71Å; F92-F113 AromaticContact CE1-CZ 3.88Å; F92-F113 HydrophobicContact CE1-CZ 3.88Å; F92-F113 HydrophobicContact CZ-CE2 4.09Å; F92-F113 AromaticContact CZ-CZ 3.75Å; F92-F113 HydrophobicContact CZ-CZ 3.75Å; A99-F113 HydrophobicContact CB-CD1 4.43Å; A99-F113 HydrophobicContact CB-CE1 3.8Å; A99-F113 HydrophobicContact CB-CE2 3.91Å; A99-F113 HydrophobicContact CB-CZ 3.51Å; A99-F113 PolarHBondContact N-O 3.39Å; A99-F113 PolarHBondContact O-N 2.86Å; M100-F113 WeakPolarHBondContact O-CE1 3.44Å; A101-F113 HydrophobicContact CB-CD1 4.26Å; F113-T115 HydrophobicContact CD2-CG2 4.27Å; F113-T115 HydrophobicContact CE2-CG2 3.97Å; F113-L122 HydrophobicContact CE2-CD1 3.92Å; F113-L122 HydrophobicContact CZ-CD1 3.89Å; F113-H126 HydrophobicContact CE1-CB 4.09Å; F113-H126 AromaticContact CE1-CG 3.86Å; F113-H126 AromaticContact CE1-ND1 3.79Å; F113-H126 HydrophobicContact CZ-CB 4.01Å; F113-H126 AromaticContact CZ-CG 3.96Å
114L97.4Very high92.9Very high2 Ų238.4 Ų38.41%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-113.6127171.3-72.9166.4000108.6M16 V25 M61 V62 I97 L98 V132 L139M16-L114 HydrophobicContact CE-CD1 4.12Å; V25-L114 HydrophobicContact CG1-CD2 4.33Å; M61-L114 CarbonylContact C-O 3.44Å; M61-L114 VanDerWaalsContact CA-O 3.23Å; M61-L114 WeakPolarHBondContact CA-O 3.38Å; M61-L114 WeakPolarHBondContact CB-O 3.4Å; V62-L114 HydrophobicContact CG2-CB 3.79Å; V62-L114 HydrophobicContact CG2-CD1 4.47Å; V62-L114 PolarHBondContact N-O 2.93Å; V62-L114 PolarHBondContact O-N 2.95Å; I97-L114 VanDerWaalsContact O-CA 3.31Å; I97-L114 WeakPolarHBondContact O-CA 3.45Å; L98-L114 HydrophobicContact CB-CD2 3.82Å; L98-L114 HydrophobicContact CD1-CD2 3.74Å; L98-L114 HydrophobicContact CD1-CG 4.1Å; L98-L114 HydrophobicContact CG-CD2 4.35Å; L114-V132 HydrophobicContact CD1-CG2 4.36Å; L114-V132 HydrophobicContact CD2-CG2 3.7Å; L114-L139 HydrophobicContact CB-CD1 3.85Å; L114-L139 HydrophobicContact CB-CD2 4Å; L114-L139 HydrophobicContact CD1-CD1 3.9Å; L114-L139 HydrophobicContact CD1-CD2 4.37Å
115T97.5Very high93Very high0 Ų043 Ų430%024%0.237CC..EExtended strand (participates in β ladder)trans-71.4147177.958.70000111.9F92 G94 A95 G96 I97 F113 T119F92-T115 HydrophobicContact CD1-CG2 3.58Å; F92-T115 HydrophobicContact CE1-CG2 3.95Å; G94-T115 PolarHBondContact O-OG1 3.04Å; A95-T115 WeakPolarHBondContact CA-O 3.18Å; G96-T115 PolarHBondContact N-O 2.89Å; G96-T115 PolarHBondContact N-OG1 3.01Å; I97-T115 HydrophobicContact CB-CG2 4.24Å; I97-T115 WeakPolarHBondContact CB-OG1 3.48Å; I97-T115 PolarHBondContact N-OG1 3.33Å; I97-T115 PolarHBondContact O-N 2.96Å; F113-T115 HydrophobicContact CD2-CG2 4.27Å; F113-T115 HydrophobicContact CE2-CG2 3.97Å; T115-T119 HydrophobicContact CG2-CG2 4.48Å
116L95.9Very high93.3Very high21 Ų2139.3 Ų39.311%0.1121%0.21CC..SBendtrans-107.8-4.4172.5-62.6175.9000112.5F60 V62 A95 L139 G143F60-L116 PolarHBondContact O-N 3.32Å; V62-L116 HydrophobicContact CG1-CD1 3.81Å; V62-L116 HydrophobicContact CG1-CD2 4.22Å; V62-L116 HydrophobicContact CG1-CG 4.15Å; A95-L116 VanDerWaalsContact CB-C 3.46Å; A95-L116 WeakPolarHBondContact CB-O 3.39Å; L116-L139 HydrophobicContact CD2-CD1 3.92Å; L116-L139 HydrophobicContact CD2-CD2 4.36Å; L116-L139 HydrophobicContact CD2-CG 3.74Å; L116-G143 VanDerWaalsContact CD1-CA 3.42Å
117G94.2Very high93.6Very high10 Ų1035.1 Ų35.110%0.10319%0.188CC..SBendtrans-165.1-177.817800000111.5G94G94-G117 CarbonylContact C-O 3.57Å
118P93.3Very high93.8Very high81 Ų8134.1 Ų34.153%0.52618%0.182SC..  trans-66.6130.8174.1-16.530.3000111.4
119T92.4Very high94Very high0 Ų034.1 Ų34.10%018%0.182CC..  trans-136.155-175.661.80000111.8F60 F92 T115 W121 L122F60-T119 HydrophobicContact CD2-CG2 3.41Å; F60-T119 VanDerWaalsContact CD2-CG2 3.41Å; F60-T119 HydrophobicContact CE2-CG2 3.56Å; F92-T119 WeakPolarHBondContact CB-O 3.38Å; F92-T119 WeakPolarHBondContact CB-OG1 3.4Å; F92-T119 WeakPolarHBondContact CG-OG1 3.4Å; F92-T119 PolarHBondContact O-N 2.94Å; T115-T119 HydrophobicContact CG2-CG2 4.48Å; T119-W121 HydrophobicContact CG2-CH2 4.09Å; T119-W121 HydrophobicContact CG2-CZ2 3.83Å; T119-W121 PolarHBondContact O-N 3.41Å; T119-L122 WeakPolarHBondContact O-CB 3.46Å; T119-L122 PolarHBondContact O-N 3.02Å
120Q90.9Very high94.2Very high135 Ų13533.6 Ų33.663%0.63118%0.176SC*.G310 helixtrans-57.2-23.1-173.1-64.9179.56.400114.4L122 D123Q120-L122 PolarHBondContact O-N 3.5Å; Q120-D123 VanDerWaalsContact O-CB 3.24Å; Q120-D123 WeakPolarHBondContact O-CB 3.28Å; Q120-D123 VanDerWaalsContact O-CG 3.27Å; Q120-D123 PolarHBondContact O-N 3.1Å
121W91.3Very high94.3Very high148 Ų14839.1 Ų39.156%0.56120%0.196SC*.G310 helixtrans-69.2-10.617658.385.9000114.3F60 T119 K125F60-W121 AromaticContact CD2-CZ2 3.62Å; F60-W121 HydrophobicContact CD2-CZ2 3.62Å; F60-W121 AromaticContact CE2-CE2 3.76Å; F60-W121 AromaticContact CE2-CZ2 3.45Å; F60-W121 HydrophobicContact CE2-CZ2 3.45Å; F60-W121 VanDerWaalsContact CE2-CZ2 3.45Å; F60-W121 AromaticContact CE2-NE1 3.53Å; F60-W121 HydrophobicContact CZ-CZ2 4.44Å; F60-W121 AromaticContact CZ-NE1 3.89Å; T119-W121 HydrophobicContact CG2-CH2 4.09Å; T119-W121 HydrophobicContact CG2-CZ2 3.83Å; T119-W121 PolarHBondContact O-N 3.41Å; W121-K125 PolarHBondContact O-NZ 3.41Å; W121-K125 VanDerWaalsContact O-NZ 3.11Å
122L91.4Very high94.3Very high17 Ų1738.8 Ų38.89%0.08920%0.196CC..G310 helixtrans-91.4-10.6172.7-58.4-174.4000112.5F60 F92 F113 T119 Q120 G124 K125 H126F60-L122 HydrophobicContact CE2-CD1 3.94Å; F60-L122 HydrophobicContact CZ-CD1 4.09Å; F92-L122 HydrophobicContact CD2-CB 3.54Å; F92-L122 HydrophobicContact CE2-CB 3.55Å; F92-L122 WeakPolarHBondContact CE2-O 3.18Å; F92-L122 HydrophobicContact CG-CB 4.26Å; F92-L122 HydrophobicContact CZ-CB 4.26Å; F113-L122 HydrophobicContact CE2-CD1 3.92Å; F113-L122 HydrophobicContact CZ-CD1 3.89Å; T119-L122 WeakPolarHBondContact O-CB 3.46Å; T119-L122 PolarHBondContact O-N 3.02Å; Q120-L122 PolarHBondContact O-N 3.5Å; L122-G124 PolarHBondContact O-N 2.98Å; L122-K125 PolarHBondContact O-N 3.3Å; L122-H126 PolarHBondContact O-N 3.11Å
123D88.5Confident94.2Very high49 Ų4941.4 Ų41.426%0.26221%0.214SC..THydrogen-bonded Turntrans-57.5131.6178.3-69.1-9000109.8F92 Q120 K125F92-D123 WeakPolarHBondContact CB-OD1 3.49Å; F92-D123 VanDerWaalsContact CD2-OD1 3.28Å; F92-D123 WeakPolarHBondContact CD2-OD1 3.21Å; F92-D123 PolarHBondContact N-OD1 2.84Å; Q120-D123 VanDerWaalsContact O-CB 3.24Å; Q120-D123 WeakPolarHBondContact O-CB 3.28Å; Q120-D123 VanDerWaalsContact O-CG 3.27Å; Q120-D123 PolarHBondContact O-N 3.1Å; D123-K125 PolarHBondContact O-N 2.89Å
124G87.6Confident94.2Very high54 Ų5447.4 Ų47.456%0.55724%0.242SC*.THydrogen-bonded Turntrans70.910.4-178.200000115.2L86 L122L86-G124 WeakPolarHBondContact CD1-O 3.46Å; L122-G124 PolarHBondContact O-N 2.98Å
125K91.1Very high94.1Very high124 Ų12448.4 Ų48.454%0.53925%0.253SS..THydrogen-bonded Turntrans-117.3-24.1175.2-62-179.8-175.7164.10114N102 W121 L122 D123N102-K125 PolarHBondContact ND2-O 2.99Å; W121-K125 PolarHBondContact O-NZ 3.41Å; W121-K125 VanDerWaalsContact O-NZ 3.11Å; L122-K125 PolarHBondContact O-N 3.3Å; D123-K125 PolarHBondContact O-N 2.89Å
126H93.8Very high94Very high31 Ų3151.3 Ų51.314%0.14427%0.267CS..SBendtrans-129.9136.4-177.6-65.8-80.5000110.2F92 A99 M100 N102 F113 L122 I128F92-H126 HydrophobicContact CE2-CB 4.14Å; F92-H126 HydrophobicContact CZ-CB 3.93Å; A99-H126 HydrophobicContact CB-CB 4.45Å; M100-H126 PolarHBondContact O-ND1 3Å; N102-H126 PolarHBondContact OD1-CE1 3.31Å; N102-H126 PolarHBondContact OD1-ND1 2.98Å; F113-H126 HydrophobicContact CE1-CB 4.09Å; F113-H126 AromaticContact CE1-CG 3.86Å; F113-H126 AromaticContact CE1-ND1 3.79Å; F113-H126 HydrophobicContact CZ-CB 4.01Å; F113-H126 AromaticContact CZ-CG 3.96Å; L122-H126 PolarHBondContact O-N 3.11Å; H126-I128 PolarHBondContact O-N 3.21Å
127S95.7Very high94Very high0 Ų052.6 Ų52.60%029%0.285CS..  trans-70.9110.5177.7-57.90000110.1D84 E85 A99 M100D84-S127 VanDerWaalsContact CA-OG 3.25Å; D84-S127 WeakPolarHBondContact CA-OG 3.42Å; D84-S127 PolarHBondContact OD1-OG 2.85Å; E85-S127 PolarHBondContact N-OG 3Å; A99-S127 CarbonylContact C-O 3.24Å; A99-S127 WeakPolarHBondContact CA-O 3.41Å; A99-S127 WeakPolarHBondContact CB-O 3.49Å; M100-S127 PolarHBondContact N-O 2.67Å
128I97.1Very high94.1Very high9 Ų952.9 Ų52.95%0.04629%0.285CS..EExtended strand (participates in β ladder)trans-81123.2171.2-64169.1000107.7Y28 L90 F92 I97 A99 H126Y28-I128 HydrophobicContact CD2-CG2 4.35Å; Y28-I128 HydrophobicContact CE2-CG2 4.3Å; L90-I128 HydrophobicContact CB-CB 4.03Å; L90-I128 HydrophobicContact CB-CD1 4Å; L90-I128 HydrophobicContact CB-CG2 4.2Å; L90-I128 HydrophobicContact CD1-CB 4.11Å; L90-I128 HydrophobicContact CD1-CG2 4.08Å; L90-I128 WeakPolarHBondContact CD1-O 3.37Å; F92-I128 HydrophobicContact CD1-CD1 4.15Å; F92-I128 HydrophobicContact CD1-CG1 4.34Å; F92-I128 HydrophobicContact CD2-CD1 3.89Å; F92-I128 HydrophobicContact CD2-CG1 4.37Å; F92-I128 HydrophobicContact CE1-CD1 4.07Å; F92-I128 HydrophobicContact CE1-CG1 3.76Å; F92-I128 HydrophobicContact CE2-CD1 3.78Å; F92-I128 HydrophobicContact CE2-CG1 3.78Å; F92-I128 HydrophobicContact CG-CD1 4.09Å; F92-I128 HydrophobicContact CZ-CD1 3.89Å; F92-I128 HydrophobicContact CZ-CG1 3.44Å; F92-I128 VanDerWaalsContact CZ-CG1 3.44Å; I97-I128 HydrophobicContact CG2-CB 4.46Å; I97-I128 HydrophobicContact CG2-CD1 4.22Å; I97-I128 HydrophobicContact CG2-CG1 4.04Å; I97-I128 HydrophobicContact CG2-CG2 3.64Å; A99-I128 HydrophobicContact CB-CG1 4.27Å; H126-I128 PolarHBondContact O-N 3.21Å
129F97.1Very high94.3Very high0 Ų049 Ų490%026%0.26CS..EExtended strand (participates in β ladder)trans-132.67-174.471.7-89.5000113.7L27 Y28 A32 T35 C36 F39 L98 A99 M100 F112L27-F129 HydrophobicContact CD2-CD2 4.12Å; L27-F129 HydrophobicContact CD2-CE2 4.18Å; Y28-F129 PolarHBondContact N-O 3.23Å; A32-F129 HydrophobicContact CB-CB 3.73Å; T35-F129 HydrophobicContact CG2-CB 3.59Å; T35-F129 HydrophobicContact CG2-CD1 3.39Å; T35-F129 HydrophobicContact CG2-CD2 4.06Å; T35-F129 HydrophobicContact CG2-CE1 3.99Å; T35-F129 HydrophobicContact CG2-CG 3.42Å; T35-F129 VanDerWaalsContact CG2-CG 3.42Å; C36-F129 PolarHBondContact SG-O 3.05Å; F39-F129 HydrophobicContact CB-CD2 4.37Å; F39-F129 HydrophobicContact CB-CE2 3.59Å; F39-F129 HydrophobicContact CB-CZ 4.13Å; F39-F129 AromaticContact CD1-CE2 3.86Å; F39-F129 HydrophobicContact CD1-CE2 3.86Å; F39-F129 AromaticContact CD2-CE2 3.87Å; F39-F129 HydrophobicContact CD2-CE2 3.87Å; F39-F129 AromaticContact CD2-CZ 3.81Å; F39-F129 HydrophobicContact CD2-CZ 3.81Å; F39-F129 HydrophobicContact CE1-CE2 4.49Å; F39-F129 HydrophobicContact CE2-CZ 4.38Å; F39-F129 AromaticContact CG-CE2 3.5Å; F39-F129 HydrophobicContact CG-CE2 3.5Å; F39-F129 VanDerWaalsContact CG-CE2 3.5Å; F39-F129 AromaticContact CG-CZ 3.94Å; F39-F129 HydrophobicContact CG-CZ 3.94Å; L98-F129 HydrophobicContact CD1-CE1 4.29Å; L98-F129 HydrophobicContact CD1-CE2 4.41Å; L98-F129 HydrophobicContact CD1-CZ 3.83Å; L98-F129 HydrophobicContact CD2-CD2 3.94Å; L98-F129 HydrophobicContact CD2-CE1 4.39Å; L98-F129 HydrophobicContact CD2-CE2 3.28Å; L98-F129 HydrophobicContact CD2-CZ 3.57Å; L98-F129 HydrophobicContact CG-CD1 4.37Å; L98-F129 HydrophobicContact CG-CD2 4.23Å; L98-F129 HydrophobicContact CG-CE1 3.8Å; L98-F129 HydrophobicContact CG-CE2 3.63Å; L98-F129 HydrophobicContact CG-CZ 3.4Å; L98-F129 PolarHBondContact O-N 3.22Å; A99-F129 VanDerWaalsContact C-CE1 3.44Å; M100-F129 HydrophobicContact CG-CD1 3.86Å; M100-F129 HydrophobicContact CG-CE1 3.69Å; M100-F129 HydrophobicContact SD-CD1 4.27Å; M100-F129 HydrophobicContact SD-CE1 3.58Å; M100-F129 VanDerWaalsContact SD-CE1 3.58Å; M100-F129 HydrophobicContact SD-CZ 4.02Å; F112-F129 HydrophobicContact CB-CE1 4.32Å; F112-F129 HydrophobicContact CB-CZ 4.19Å
130G96.8Very high94.4Very high0 Ų052.5 Ų52.50%028%0.279CS..EExtended strand (participates in β ladder)trans177.8-169.7174.600000113.9E26 L98E26-G130 CarbonylContact O-C 3.49Å; E26-G130 WeakPolarHBondContact O-CA 3.46Å; L98-G130 PolarHBondContact N-O 2.78Å; L98-G130 PolarHBondContact O-N 2.89Å
131R96.9Very high94.6Very high116 Ų11652.3 Ų52.344%0.43827%0.272SS..EExtended strand (participates in β ladder)trans-151.3160.7173.163.4170.7172-161.9-0.3111.8V25 E26 Y28 G96 C133V25-R131 CarbonylContact C-O 3.52Å; V25-R131 WeakPolarHBondContact CA-O 3.34Å; E26-R131 HydrophobicContact CB-CG 4.36Å; E26-R131 PolarHBondContact N-O 3.09Å; E26-R131 PolarHBondContact O-N 3.33Å; E26-R131 IonicContact OE2-CZ 3.69Å; E26-R131 VanDerWaalsContact OE2-CZ 3.29Å; E26-R131 IonicContact OE2-NE 2.64Å; E26-R131 PolarHBondContact OE2-NE 3.02Å; E26-R131 IonicContact OE2-NH2 3.21Å; E26-R131 PolarHBondContact OE2-NH2 3.1Å; Y28-R131 HydrophobicContact CE1-CG 4.05Å; Y28-R131 WeakPolarHBondContact OH-CD 3.28Å; Y28-R131 VanDerWaalsContact OH-CG 3.25Å; Y28-R131 WeakPolarHBondContact OH-CG 3.21Å; G96-R131 CarbonylContact O-C 3.54Å; G96-R131 WeakPolarHBondContact O-CA 3.42Å; R131-C133 PolarHBondContact O-N 2.98Å
132V97.3Very high94.8Very high14 Ų1445.3 Ų45.39%0.08525%0.246CC..EExtended strand (participates in β ladder)trans-70.1123.5166.6-179.40000109.1V23 L24 V25 G96 L114 Q134 M136 L139V23-V132 HydrophobicContact CG1-CB 4.5Å; V23-V132 HydrophobicContact CG1-CG1 3.88Å; V23-V132 HydrophobicContact CG1-CG2 3.85Å; L24-V132 WeakPolarHBondContact O-CA 3.22Å; V25-V132 HydrophobicContact CG1-CG2 4.04Å; G96-V132 PolarHBondContact O-N 3.03Å; L114-V132 HydrophobicContact CD1-CG2 4.36Å; L114-V132 HydrophobicContact CD2-CG2 3.7Å; V132-Q134 WeakPolarHBondContact CG1-O 3.21Å; V132-M136 HydrophobicContact CB-CG 4.28Å; V132-M136 HydrophobicContact CB-SD 3.54Å; V132-M136 VanDerWaalsContact CB-SD 3.54Å; V132-M136 HydrophobicContact CG1-CG 3.82Å; V132-M136 HydrophobicContact CG1-SD 3.61Å; V132-M136 HydrophobicContact CG2-SD 4.04Å; V132-L139 HydrophobicContact CG2-CD2 3.88Å
133C95.6Very high94.9Very high55 Ų5544.7 Ų44.737%0.37224%0.243SC..EExtended strand (participates in β ladder)trans-103.2-2617359.60000112.3L24 E26 R131L24-C133 VanDerWaalsContact CD2-SG 3.57Å; L24-C133 VanDerWaalsContact CG-SG 3.51Å; L24-C133 PolarHBondContact O-N 2.86Å; L24-C133 PolarHBondContact O-SG 2.58Å; L24-C133 VanDerWaalsContact O-SG 3.36Å; E26-C133 HydrophobicContact CB-CB 4.2Å; R131-C133 PolarHBondContact O-N 2.98Å
134Q96.2Very high95.2Very high129 Ų12947.7 Ų47.760%0.60326%0.259SS*.EExtended strand (participates in β ladder)trans-141.8150.5170.8-56.5-178.9-13.800111.3L24 V132L24-Q134 HydrophobicContact CB-CB 3.84Å; L24-Q134 HydrophobicContact CB-CG 4.43Å; L24-Q134 HydrophobicContact CD2-CB 4.36Å; L24-Q134 HydrophobicContact CD2-CG 4.06Å; L24-Q134 PolarHBondContact N-O 2.89Å; L24-Q134 PolarHBondContact O-N 3.19Å; V132-Q134 WeakPolarHBondContact CG1-O 3.21Å
135G95.3Very high95.6Very high24 Ų2447 Ų4725%0.24724%0.243CC..  trans87.721.3178.800000114.8G137 V138 L139G135-G137 PolarHBondContact O-N 2.77Å; G135-V138 WeakPolarHBondContact O-CA 3.27Å; G135-V138 WeakPolarHBondContact O-CB 3.42Å; G135-V138 PolarHBondContact O-N 2.92Å; G135-L139 PolarHBondContact O-N 3.23Å; G135-L139 VanDerWaalsContact O-N 3.07Å
136M96.3Very high95.8Very high60 Ų6048.4 Ų48.430%0.29625%0.252SS..Hα-helixtrans-54.5-35.5172.2-81.1-57.3-62.500112.9A95 V132 V138 L139 N140A95-M136 HydrophobicContact CB-CE 3.8Å; V132-M136 HydrophobicContact CB-CG 4.28Å; V132-M136 HydrophobicContact CB-SD 3.54Å; V132-M136 VanDerWaalsContact CB-SD 3.54Å; V132-M136 HydrophobicContact CG1-CG 3.82Å; V132-M136 HydrophobicContact CG1-SD 3.61Å; V132-M136 HydrophobicContact CG2-SD 4.04Å; M136-V138 VanDerWaalsContact C-N 3.3Å; M136-V138 PolarHBondContact O-N 3.49Å; M136-L139 HydrophobicContact CE-CD2 4.16Å; M136-L139 PolarHBondContact O-N 2.81Å; M136-L139 HydrophobicContact SD-CD2 3.96Å; M136-N140 WeakPolarHBondContact O-CB 3.46Å; M136-N140 VanDerWaalsContact O-CG 3.24Å; M136-N140 PolarHBondContact O-N 3.18Å; M136-N140 PolarHBondContact O-OD1 3.07Å
137G96.2Very high95.9Very high48 Ų4849.2 Ų49.250%0.49526%0.259SS..Hα-helixtrans-62.7-35173.900000113.1G135 R141G135-G137 PolarHBondContact O-N 2.77Å; G137-R141 WeakPolarHBondContact O-CG 3.37Å; G137-R141 PolarHBondContact O-N 3.4Å; G137-R141 VanDerWaalsContact O-N 3.14Å
138V96.4Very high95.7Very high16 Ų1652.6 Ų52.610%0.09728%0.277CS..Hα-helixtrans-68.3-47174.3178.80000109.9M20 V23 G135 M136 N140 R141 I142M20-V138 HydrophobicContact CB-CG1 4.19Å; V23-V138 HydrophobicContact CG2-CB 3.99Å; V23-V138 HydrophobicContact CG2-CG1 3.88Å; G135-V138 WeakPolarHBondContact O-CA 3.27Å; G135-V138 WeakPolarHBondContact O-CB 3.42Å; G135-V138 PolarHBondContact O-N 2.92Å; M136-V138 VanDerWaalsContact C-N 3.3Å; M136-V138 PolarHBondContact O-N 3.49Å; V138-N140 VanDerWaalsContact C-N 3.32Å; V138-N140 PolarHBondContact O-N 2.96Å; V138-R141 PolarHBondContact O-N 3.18Å; V138-R141 VanDerWaalsContact O-N 3.12Å; V138-I142 HydrophobicContact CG1-CD1 4.05Å; V138-I142 HydrophobicContact CG1-CG1 4.47Å; V138-I142 WeakPolarHBondContact O-CG1 3.45Å; V138-I142 PolarHBondContact O-N 3.35Å
139L95.8Very high95.4Very high1 Ų158 Ų581%0.00532%0.316CS..Hα-helixtrans-57.1-45177176.859.7000111.7V62 L114 L116 V132 G135 M136 R141 I142 G143V62-L139 HydrophobicContact CG1-CD1 4.43Å; V62-L139 HydrophobicContact CG2-CD1 3.41Å; V62-L139 VanDerWaalsContact CG2-CD1 3.41Å; L114-L139 HydrophobicContact CB-CD1 3.85Å; L114-L139 HydrophobicContact CB-CD2 4Å; L114-L139 HydrophobicContact CD1-CD1 3.9Å; L114-L139 HydrophobicContact CD1-CD2 4.37Å; L116-L139 HydrophobicContact CD2-CD1 3.92Å; L116-L139 HydrophobicContact CD2-CD2 4.36Å; L116-L139 HydrophobicContact CD2-CG 3.74Å; V132-L139 HydrophobicContact CG2-CD2 3.88Å; G135-L139 PolarHBondContact O-N 3.23Å; G135-L139 VanDerWaalsContact O-N 3.07Å; M136-L139 HydrophobicContact CE-CD2 4.16Å; M136-L139 PolarHBondContact O-N 2.81Å; M136-L139 HydrophobicContact SD-CD2 3.96Å; L139-R141 VanDerWaalsContact C-N 3.33Å; L139-R141 PolarHBondContact O-N 2.95Å; L139-I142 WeakPolarHBondContact O-CB 3.46Å; L139-I142 PolarHBondContact O-N 2.96Å; L139-G143 PolarHBondContact O-N 2.65Å
140N95Very high95.1Very high72 Ų7263.9 Ų63.939%0.38534%0.343SS..Hα-helixtrans-61.2-40.9176.7-70.5-9000112M136 V138 G143 L144M136-N140 WeakPolarHBondContact O-CB 3.46Å; M136-N140 VanDerWaalsContact O-CG 3.24Å; M136-N140 PolarHBondContact O-N 3.18Å; M136-N140 PolarHBondContact O-OD1 3.07Å; V138-N140 VanDerWaalsContact C-N 3.32Å; V138-N140 PolarHBondContact O-N 2.96Å; N140-G143 PolarHBondContact O-N 3.46Å; N140-L144 VanDerWaalsContact O-CG 3.31Å; N140-L144 WeakPolarHBondContact O-CG 3.45Å; N140-L144 PolarHBondContact O-N 3.42Å
141R95.8Very high94.9Very high132 Ų13266.2 Ų66.250%0.49836%0.356SS..Hα-helixtrans-64.7-41.4175.3-70.9-172.4-54.4-160.55.9112.4M20 G137 V138 L139 G143 L144M20-R141 HydrophobicContact CE-CB 3.8Å; M20-R141 PolarHBondContact O-NH2 3.44Å; G137-R141 WeakPolarHBondContact O-CG 3.37Å; G137-R141 PolarHBondContact O-N 3.4Å; G137-R141 VanDerWaalsContact O-N 3.14Å; V138-R141 PolarHBondContact O-N 3.18Å; V138-R141 VanDerWaalsContact O-N 3.12Å; L139-R141 VanDerWaalsContact C-N 3.33Å; L139-R141 PolarHBondContact O-N 2.95Å; R141-G143 VanDerWaalsContact C-N 3.25Å; R141-G143 PolarHBondContact O-N 3.11Å; R141-L144 PolarHBondContact O-N 3.14Å
142I95.3Very high94.7Very high1 Ų165 Ų651%0.00535%0.351CS..Hα-helixtrans-59.2-42173.4-65.8171.1000109.5T18 M20 F53 I56 V62 V138 L139 L144 V145 I157T18-I142 HydrophobicContact CG2-CD1 4.31Å; M20-I142 HydrophobicContact CB-CG1 4.13Å; M20-I142 HydrophobicContact CG-CG1 4.3Å; M20-I142 HydrophobicContact SD-CB 4.36Å; M20-I142 HydrophobicContact SD-CG1 3.62Å; F53-I142 HydrophobicContact CE2-CD1 4.26Å; F53-I142 HydrophobicContact CG-CG2 4.43Å; F53-I142 HydrophobicContact CZ-CD1 4.37Å; I56-I142 HydrophobicContact CD1-CG2 3.75Å; I56-I142 WeakPolarHBondContact CG2-O 3.38Å; V62-I142 HydrophobicContact CB-CG2 4.37Å; V62-I142 HydrophobicContact CG1-CG2 4.02Å; V138-I142 HydrophobicContact CG1-CD1 4.05Å; V138-I142 HydrophobicContact CG1-CG1 4.47Å; V138-I142 WeakPolarHBondContact O-CG1 3.45Å; V138-I142 PolarHBondContact O-N 3.35Å; L139-I142 WeakPolarHBondContact O-CB 3.46Å; L139-I142 PolarHBondContact O-N 2.96Å; I142-L144 PolarHBondContact O-N 3.22Å; I142-V145 WeakPolarHBondContact O-CG2 3.17Å; I142-V145 PolarHBondContact O-N 2.85Å; I142-I157 HydrophobicContact CB-CD1 4.28Å; I142-I157 HydrophobicContact CD1-CG2 4.27Å; I142-I157 HydrophobicContact CG1-CD1 4.31Å; I142-I157 HydrophobicContact CG1-CG2 4.15Å; I142-I157 HydrophobicContact CG2-CD1 3.81Å; I142-I157 HydrophobicContact CG2-CG2 4.4Å
143G94.3Very high94.6Very high3 Ų365 Ų653%0.03135%0.352CS..Hα-helixtrans-67-13.5178.300000116.3L116 L139 N140 R141L116-G143 VanDerWaalsContact CD1-CA 3.42Å; L139-G143 PolarHBondContact O-N 2.65Å; N140-G143 PolarHBondContact O-N 3.46Å; R141-G143 VanDerWaalsContact C-N 3.25Å; R141-G143 PolarHBondContact O-N 3.11Å
144L94.8Very high94.5Very high113 Ų11366.5 Ų66.559%0.59236%0.359SS*.THydrogen-bonded Turntrans-102.5-1.3-177.6-71.2173.5000113.7K58 N140 R141 I142K58-L144 HydrophobicContact CD-CD2 4.24Å; K58-L144 HydrophobicContact CG-CD2 4.4Å; N140-L144 VanDerWaalsContact O-CG 3.31Å; N140-L144 WeakPolarHBondContact O-CG 3.45Å; N140-L144 PolarHBondContact O-N 3.42Å; R141-L144 PolarHBondContact O-N 3.14Å; I142-L144 PolarHBondContact O-N 3.22Å
145V95.1Very high94.3Very high39 Ų3966.5 Ų66.524%0.23636%0.363CS..SBendtrans-68.9152.9-179.6-55.80000111.8M20 I56 I142 T147 P153 I157M20-V145 HydrophobicContact CE-CG1 4.22Å; M20-V145 HydrophobicContact SD-CG1 4.08Å; I56-V145 HydrophobicContact CD1-CG2 3.72Å; I56-V145 HydrophobicContact CG2-CG2 4.26Å; I142-V145 WeakPolarHBondContact O-CG2 3.17Å; I142-V145 PolarHBondContact O-N 2.85Å; V145-T147 PolarHBondContact O-N 3.34Å; V145-P153 HydrophobicContact CG2-CB 3.85Å; V145-I157 HydrophobicContact CB-CD1 4.19Å; V145-I157 HydrophobicContact CG1-CD1 3.61Å; V145-I157 HydrophobicContact CG2-CD1 3.71Å
146E95.1Very high94.2Very high153 Ų15369.1 Ų69.172%0.71537%0.372SS*.  trans-67.6132.2177-169.7175179.400110.5P153 V154E146-P153 WeakPolarHBondContact O-CA 3.45Å; E146-V154 HydrophobicContact CB-CG2 4.3Å; E146-V154 HydrophobicContact CG-CG2 4.02Å; E146-V154 PolarHBondContact O-N 3.05Å
147T95.6Very high94.1Very high48 Ų4866.6 Ų66.629%0.29436%0.359SS..BIsolated β-bridgetrans-121.2152.4177.462.30000111.4I56 V145 R152I56-T147 HydrophobicContact CB-CG2 3.87Å; I56-T147 HydrophobicContact CG2-CG2 4.14Å; I56-T147 WeakPolarHBondContact O-CG2 3.2Å; V145-T147 PolarHBondContact O-N 3.34Å; T147-R152 CarbonylContact C-O 3.55Å; T147-R152 WeakPolarHBondContact CA-O 3.35Å; T147-R152 WeakPolarHBondContact CB-O 3.28Å
148N92.6Very high94Very high71 Ų7167 Ų6738%0.3835%0.347SS..  trans-80.7-177.4174.971.315.1000111.7Q150 D151 R152N148-Q150 PolarHBondContact O-N 3.18Å; N148-Q150 WeakPolarHBondContact OD1-CA 3.28Å; N148-Q150 WeakPolarHBondContact OD1-CB 3.2Å; N148-Q150 PolarHBondContact OD1-N 3.37Å; N148-D151 PolarHBondContact O-N 3.3Å; N148-R152 PolarHBondContact N-O 3.11Å; N148-R152 WeakPolarHBondContact OD1-CB 3.37Å; N148-R152 PolarHBondContact OD1-N 2.97Å; N148-R152 PolarHBondContact OD1-O 3.3Å
149S91.3Very high94Very high124 Ų12466.3 Ų66.387%0.86734%0.343SS*.THydrogen-bonded Turntrans-62.3-8.2179.457.50000115.6
150Q90.1Very high94Very high122 Ų12269.9 Ų69.957%0.5737%0.365SS*.THydrogen-bonded Turntrans-106.518.2175.5-60.6-177.4000112.1N148 R152N148-Q150 PolarHBondContact O-N 3.18Å; N148-Q150 WeakPolarHBondContact OD1-CA 3.28Å; N148-Q150 WeakPolarHBondContact OD1-CB 3.2Å; N148-Q150 PolarHBondContact OD1-N 3.37Å; Q150-R152 HydrophobicContact CB-CG 4.1Å; Q150-R152 PolarHBondContact O-N 3.21Å; Q150-R152 VanDerWaalsContact O-N 3.13Å
151D92.8Very high94Very high50 Ų5072.3 Ų72.327%0.26737%0.368SS..SBendtrans58.918.8-174.8-50.4-46.5000113.2R55 I56 I57 N148R55-D151 CarbonylContact C-O 3.54Å; R55-D151 WeakPolarHBondContact CA-O 3.37Å; R55-D151 HydrophobicContact CG-CB 3.64Å; R55-D151 IonicContact CZ-OD2 3.34Å; R55-D151 IonicContact NE-OD2 2.59Å; R55-D151 PolarHBondContact NE-OD2 3.07Å; R55-D151 IonicContact NH2-OD2 3.73Å; R55-D151 PolarHBondContact NH2-OD2 3.03Å; I56-D151 PolarHBondContact N-O 3.03Å; I57-D151 HydrophobicContact CD1-CB 4.38Å; I57-D151 WeakPolarHBondContact CD1-OD2 3.48Å; I57-D151 HydrophobicContact CG1-CB 3.8Å; N148-D151 PolarHBondContact O-N 3.3Å
152R93Very high94Very high90 Ų9066.6 Ų66.634%0.3435%0.348SS..  trans-89.9134.7178.2-55.2-165.4166.1-178.4-4109.7H54 T70 T147 N148 Q150 V154H54-R152 WeakPolarHBondContact O-CG 3.24Å; T70-R152 PolarHBondContact O-NH2 3.15Å; T147-R152 CarbonylContact C-O 3.55Å; T147-R152 WeakPolarHBondContact CA-O 3.35Å; T147-R152 WeakPolarHBondContact CB-O 3.28Å; N148-R152 PolarHBondContact N-O 3.11Å; N148-R152 WeakPolarHBondContact OD1-CB 3.37Å; N148-R152 PolarHBondContact OD1-N 2.97Å; N148-R152 PolarHBondContact OD1-O 3.3Å; Q150-R152 HydrophobicContact CB-CG 4.1Å; Q150-R152 PolarHBondContact O-N 3.21Å; Q150-R152 VanDerWaalsContact O-N 3.13Å; R152-V154 PolarHBondContact O-N 2.58Å
153P93.6Very high93.9Very high14 Ų1469 Ų699%0.09136%0.363CS..BIsolated β-bridgetrans-61.6139.717727.4-34.2000111.4F53 I56 V145 E146 D155F53-P153 WeakPolarHBondContact O-CD 3.37Å; F53-P153 VanDerWaalsContact O-CG 3.26Å; F53-P153 WeakPolarHBondContact O-CG 3.17Å; I56-P153 HydrophobicContact CD1-CB 4.06Å; I56-P153 HydrophobicContact CD1-CG 4.01Å; V145-P153 HydrophobicContact CG2-CB 3.85Å; E146-P153 WeakPolarHBondContact O-CA 3.45Å; P153-D155 WeakPolarHBondContact CB-O 3.23Å
154V93.6Very high93.6Very high86 Ų8670.1 Ų70.152%0.52137%0.368SS..SBendtrans-65.3-43.9176.4177.10000109.9E146 R152E146-V154 HydrophobicContact CB-CG2 4.3Å; E146-V154 HydrophobicContact CG-CG2 4.02Å; E146-V154 PolarHBondContact O-N 3.05Å; R152-V154 PolarHBondContact O-N 2.58Å
155D93.1Very high92.9Very high130 Ų13067.5 Ų67.570%0.69536%0.358SS*.SBendtrans-97.4127.6172.4-67.5-52.3000111P153 I157P153-D155 WeakPolarHBondContact CB-O 3.23Å; D155-I157 PolarHBondContact O-N 2.59Å; D155-I157 VanDerWaalsContact O-N 3.1Å
156D92.2Very high91Very high79 Ų7977 Ų7742%0.42241%0.407SS..  trans-61.3114.6-179.3-81.3-26.2000112.2K52 K158K52-D156 HydrophobicContact CD-CB 4.42Å; K52-D156 WeakPolarHBondContact CD-OD1 3.42Å; K52-D156 VanDerWaalsContact CE-OD2 3.23Å; K52-D156 WeakPolarHBondContact CE-OD2 3.49Å; K52-D156 IonicContact NZ-OD1 2.71Å; K52-D156 PolarHBondContact NZ-OD1 3.09Å; K52-D156 IonicContact NZ-OD2 3.24Å; K52-D156 PolarHBondContact NZ-OD2 3.16Å; D156-K158 HydrophobicContact CB-CG 4.39Å; D156-K158 IonicContact OD2-NZ 3.9Å
157I94.3Very high90.8Very high6 Ų673.2 Ų73.23%0.03139%0.392CS..  trans-96.2125.1166.3-53.2174.7000108.7M20 K52 F53 I56 I142 V145 D155M20-I157 HydrophobicContact CG-CG2 4.28Å; M20-I157 HydrophobicContact SD-CD1 3.58Å; M20-I157 VanDerWaalsContact SD-CD1 3.58Å; M20-I157 HydrophobicContact SD-CG1 4.11Å; M20-I157 HydrophobicContact SD-CG2 4.39Å; K52-I157 WeakPolarHBondContact CA-O 3.12Å; F53-I157 HydrophobicContact CD2-CB 4.02Å; F53-I157 HydrophobicContact CD2-CG2 3.58Å; F53-I157 HydrophobicContact CE2-CG2 4.01Å; F53-I157 PolarHBondContact N-O 3.22Å; I56-I157 HydrophobicContact CD1-CD1 3.82Å; I142-I157 HydrophobicContact CB-CD1 4.28Å; I142-I157 HydrophobicContact CD1-CG2 4.27Å; I142-I157 HydrophobicContact CG1-CD1 4.31Å; I142-I157 HydrophobicContact CG1-CG2 4.15Å; I142-I157 HydrophobicContact CG2-CD1 3.81Å; I142-I157 HydrophobicContact CG2-CG2 4.4Å; V145-I157 HydrophobicContact CB-CD1 4.19Å; V145-I157 HydrophobicContact CG1-CD1 3.61Å; V145-I157 HydrophobicContact CG2-CD1 3.71Å; D155-I157 PolarHBondContact O-N 2.59Å; D155-I157 VanDerWaalsContact O-N 3.1Å
158K94.9Very high90.5Very high58 Ų5874.5 Ų74.525%0.25240%0.397SS..EExtended strand (participates in β ladder)trans-123145.6-174.9-46.5-171.5-173.6171.70111.4T18 T19 N50 T51 K52 D156 V160T18-K158 CarbonylContact C-O 3.49Å; T18-K158 WeakPolarHBondContact CA-O 3.25Å; T18-K158 WeakPolarHBondContact CB-O 3.23Å; T19-K158 HydrophobicContact CG2-CB 4.06Å; T19-K158 HydrophobicContact CG2-CG 4.47Å; T19-K158 PolarHBondContact N-O 2.84Å; T19-K158 PolarHBondContact OG1-N 3.33Å; N50-K158 WeakPolarHBondContact OD1-CD 3.48Å; T51-K158 CarbonylContact O-C 3.47Å; T51-K158 VanDerWaalsContact O-CA 3.23Å; T51-K158 WeakPolarHBondContact O-CA 3.39Å; K52-K158 HydrophobicContact CG-CD 4.49Å; K52-K158 HydrophobicContact CG-CG 4.17Å; D156-K158 HydrophobicContact CB-CG 4.39Å; D156-K158 IonicContact OD2-NZ 3.9Å; K158-V160 PolarHBondContact O-N 3.26Å
159I96.3Very high90.4Very high0 Ų074.7 Ų74.70%040%0.398CS..EExtended strand (participates in β ladder)trans-78.9106.1160.5-56.2173.6000105.6M16 E17 N50 T51 F53 A64 F112 T162M16-I159 HydrophobicContact SD-CD1 4.49Å; E17-I159 CarbonylContact O-C 3.5Å; N50-I159 WeakPolarHBondContact CA-O 3.17Å; N50-I159 PolarHBondContact N-O 3.27Å; T51-I159 PolarHBondContact N-O 2.73Å; T51-I159 PolarHBondContact O-N 3.09Å; F53-I159 HydrophobicContact CE2-CD1 4.46Å; F53-I159 HydrophobicContact CE2-CG1 3.77Å; F53-I159 HydrophobicContact CZ-CD1 4.26Å; F53-I159 HydrophobicContact CZ-CG1 3.99Å; A64-I159 HydrophobicContact CB-CD1 4.13Å; F112-I159 HydrophobicContact CE1-CD1 4.42Å; F112-I159 HydrophobicContact CZ-CD1 3.83Å; I159-T162 HydrophobicContact CG2-CG2 3.72Å
160V95.9Very high90.4Very high77 Ų7771.8 Ų71.847%0.46737%0.37SS..EExtended strand (participates in β ladder)trans-69.5-47.6-179.8179.20000109.4E17 T19 K158E17-V160 PolarHBondContact O-N 3.43Å; T19-V160 HydrophobicContact CG2-CG2 4.02Å; K158-V160 PolarHBondContact O-N 3.26Å
161R94.8Very high90.4Very high122 Ų12268.6 Ų68.646%0.4636%0.358SS..EExtended strand (participates in β ladder)trans-152.7150.4-176.9-173.6172.469.6153.78.2111E17 N49E17-R161 HydrophobicContact CB-CB 4.41Å; E17-R161 PolarHBondContact N-O 2.82Å; E17-R161 PolarHBondContact O-N 3.45Å; E17-R161 IonicContact OE1-CZ 3.51Å; E17-R161 IonicContact OE1-NE 3.43Å; E17-R161 PolarHBondContact OE1-NE 3.45Å; E17-R161 IonicContact OE1-NH2 2.74Å; E17-R161 PolarHBondContact OE1-NH2 3.21Å; E17-R161 IonicContact OE2-CZ 3.7Å; E17-R161 IonicContact OE2-NE 3.14Å; E17-R161 PolarHBondContact OE2-NE 3.23Å; E17-R161 VanDerWaalsContact OE2-NE 3.14Å; E17-R161 IonicContact OE2-NH2 3.5Å; E17-R161 PolarHBondContact OE2-NH2 2.67Å; N49-R161 WeakPolarHBondContact OD1-CA 3.25Å
162T94.7Very high90.2Very high12 Ų1269.9 Ų69.97%0.07436%0.364CS..EExtended strand (participates in β ladder)trans-115.4138.7165.758.40000110.4A15 M16 C43 N49 I159A15-T162 CarbonylContact O-C 3.54Å; A15-T162 VanDerWaalsContact O-CA 3.29Å; A15-T162 WeakPolarHBondContact O-CA 3.46Å; M16-T162 HydrophobicContact CG-CG2 4.09Å; C43-T162 WeakPolarHBondContact CA-OG1 3.21Å; C43-T162 HydrophobicContact CB-CG2 4.47Å; C43-T162 WeakPolarHBondContact CB-OG1 3.48Å; C43-T162 PolarHBondContact O-OG1 3.5Å; N49-T162 PolarHBondContact OD1-N 3.31Å; N49-T162 VanDerWaalsContact OD1-N 3.16Å; I159-T162 HydrophobicContact CG2-CG2 3.72Å
163T93.2Very high90Very high51 Ų5168.4 Ų68.431%0.31337%0.366SS..EExtended strand (participates in β ladder)trans-131.1136.1-179.1-490000108.8A15A15-T163 PolarHBondContact N-O 2.88Å; A15-T163 PolarHBondContact O-N 3.27Å
164L89.5Confident89.8Confident27 Ų2772.6 Ų72.614%0.14139%0.387CS..  trans-102145.2174.1-67.7150000108.4W9 P11 V14 A40 R44 N166W9-L164 HydrophobicContact CH2-CD1 4.21Å; W9-L164 HydrophobicContact CZ2-CD1 3.95Å; P11-L164 HydrophobicContact CB-CD2 3.76Å; P11-L164 HydrophobicContact CG-CD2 3.65Å; V14-L164 HydrophobicContact CG2-CD2 3.55Å; A40-L164 HydrophobicContact CB-CD2 4.15Å; R44-L164 HydrophobicContact CB-CD1 3.44Å; R44-L164 VanDerWaalsContact CB-CD1 3.44Å; R44-L164 HydrophobicContact CG-CD1 3.82Å; L164-N166 PolarHBondContact O-N 2.87Å
165P79.9Confident89.4Confident59 Ų5971.5 Ų71.538%0.38338%0.376SS..  trans-60.2137.4168.528.7-33.7000108.9P11 P12 T13P11-P165 HydrophobicContact CB-CG 4.46Å; P12-P165 HydrophobicContact CG-CG 4.39Å; T13-P165 WeakPolarHBondContact O-CD 3.48Å
166N54.6Low89.1Confident237 Ų23766.2 Ų66.2100%1.26735%0.346SS*.  trans-66.90175.5-74.5-19.4000111.8L164L164-N166 PolarHBondContact O-N 2.87Å

Retrieved 166 of 166 residues in 186 ms (Link to these results)

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