Title:
Connecting membrane fluidity and surface chargeto pore forming antimicrobial peptides resistance by an ANN based predictive model
Running Title: Quantifying AMPs interactions with membrane phospholipids
Authors:
JitenderMehla†* and S.K.Sood*
*National Dairy Research Institute (NDRI), Karnal-132001 HARYANA (INDIA)
† Current Address:
Department of Biology, The Catholic University of America, 620 Michigan Ave., N.E.,Washington, DC 20064
Corresponding author Email:
Corresponding author Phone: 715-768-5051 (USA)
Table S1.
Data set used in the neural network training. The molar ratio of PDA:lipidswasmaintained at 6:4. The proportion of the PDA used, isn’t shown here in the table. The lipids proportion (4moles) of membrane containing single phospholipid, i.e the no of moles was designated as 1 and accordingly proportions of different phospholipids; in different combinations were expressed so that the total lipids in a membrane should not exceed 1.
Table S1
Membrane composition / Fludity/Tm / -ve charge / +ve charge / Experimental CR / Predicted CRDSPE (1:0) / 74 / -0.5 / 0.5 / 0.819 / 0.658393319
DPPE (1:0) / 63 / -0.5 / 0.5 / 0.516 / 0.412986378
DMPE (1:0) / 50 / -0.5 / 0.5 / 0.308 / 0.2369273
DPPG (1:0) / 41 / -1 / 0 / 0.264 / 0.100852362
DMPG (1:0) / 23 / -1 / 0 / 0.16 / 0.059522374
DSPE:DPPG(0.50:0.50) / 47.25 / -0.66 / 0.33 / 0.116 / 0.118107751
DSPE:DPPG(0.75:0.25) / 65.75 / -0.57 / 0.42 / 0.136 / 0.328322064
DPPE:DPPG(0.50:0.50) / 52 / -0.666 / 0.33 / 0.079 / 0.142697469
DMPE:DPPG(0.75:0.25) / 53.25 / -0.57 / 0.428 / 0.0606 / 0.193011469
DMPE:DPPG(0.75:0.25) / 53.25 / -0.57 / 0.42 / 0.0601 / 0.193011469
DSPE:DMPG(0.95:0.05) / 71.45 / -0.512 / 0.487 / 0.4596 / 0.543043354
DSPE:DMPG(0.9: 0.10) / 68.9 / -0.526 / 0.473 / 0.4378 / 0.48798324
DSPE:DMPG(0.85:0.15) / 66.35 / -0.54 / 0.459 / 0.4156 / 0.389426276
DSPE:DMPG(0.80:0.20) / 63.8 / -0.555 / 0.444 / 0.402 / 0.326603846
DSPE:DMPG(0.75:0.25) / 61.25 / -0.57 / 0.428 / 0.374 / 0.294700885
DSPE:DMPG(0.70:0.30) / 58.7 / -0.588 / 0.411 / 0.3388 / 0.257763339
DSPE:DMPG(0.65:0.35) / 56.15 / -0.606 / 0.393 / 0.3046 / 0.219726917
DSPE:DMPG(0.60:0.40) / 53.6 / -0.625 / 0.375 / 0.2858 / 0.189148814
DSPE:DMPG(0.55:0.45) / 51.05 / -0.645 / 0.354 / 0.2662 / 0.164438394
DSPE:DMPG(0.50:0.50) / 48.5 / -0.666 / 0.333 / 0.242 / 0.14432392
DSPE:DMPG(0.45:0.55) / 45.95 / -0.689 / 0.31 / 0.2078 / 0.127796779
DSPE:DMPG(0.40:0.60) / 43.4 / -0.714 / 0.285 / 0.0856 / 0.112801153
DSPE:DMPG(0.35:0.65) / 40.85 / -0.74 / 0.259 / 0.1684 / 0.100939578
DSPE:DMPG(0.30:0.70) / 38.3 / -0.769 / 0.23 / 0.1285 / 0.091367051
DSPE:DMPG(0.25:0.75) / 35.75 / -0.8 / 0.2 / 0.089 / 0.083463136
DSPE:DMPG(0.20:0.80) / 33.2 / -0.833 / 0.166 / 0.0768 / 0.076942156
DSPE:DMPG(0.15:0.85) / 30.65 / -0.869 / 0.13 / 0.0526 / 0.070966511
DSPE:DMPG(0.10:0.90) / 28.1 / -0.9 / 0.09 / 0.0384 / 0.0662125
DSPE:DMPG(0.05:0.95) / 25.55 / -0.952 / 0.047 / 0.0242 / 0.062594388
DMPE:DMPG(0.95:0.05) / 48.65 / -0.512 / 0.487 / 0.1867 / 0.215800247
DMPE:DMPG(0.90:0.10) / 47.3 / -0.526 / 0.473 / 0.1705 / 0.196928158
DMPE:DMPG(0.85:0.15) / 45.95 / -0.54 / 0.459 / 0.1638 / 0.169571261
DMPE:DMPG(0.80:0.20) / 44.6 / -0.555 / 0.444 / 0.152 / 0.160266555
DMPE:DMPG(0.75:0.25) / 43.25 / -0.57 / 0.428 / 0.142 / 0.143611952
DMPE:DMPG(0.70:0.30) / 41.9 / -0.588 / 0.411 / 0.1325 / 0.132552684
DMPE:DMPG(0.65:0.35) / 40.55 / -0.606 / 0.393 / 0.1295 / 0.120033719
DMPE:DMPG(0.60:0.40) / 39.2 / -0.625 / 0.375 / 0.1202 / 0.109419703
DMPE:DMPG(0.55:0.45) / 37.85 / -0.645 / 0.354 / 0.1189 / 0.100384328
DMPE:DMPG(0.50:0.50) / 36.5 / -0.666 / 0.333 / 0.113 / 0.07295849
DMPE:DMPG(0.45:0.55) / 35.15 / -0.689 / 0.31 / 0.0923 / 0.086007612
DMPE:DMPG(0.40:0.60) / 33.8 / -0.714 / 0.285 / 0.0772 / 0.079774733
DMPE:DMPG(0.35:0.65) / 32.45 / -0.74 / 0.259 / 0.0642 / 0.074743892
DMPE:DMPG(0.30:0.70) / 31.1 / -0.769 / 0.23 / 0.0568 / 0.070662199
DMPE:DMPG(0.25:0.75) / 29.75 / -0.8 / 0.2 / 0.0349 / 0.067276101
DMPE:DMPG(0.20:0.80) / 28.4 / -0.833 / 0.166 / 0.031 / 0.064468119
DMPE:DMPG(0.15:0.85) / 27.05 / -0.869 / 0.13 / 0.025 / 0.062097065
DMPE:DMPG(0.10:0.90) / 25.7 / -0.9 / 0.09 / 0.016 / 0.060512404
DMPE:DMPG(0.05:0.95) / 24.35 / -0.952 / 0.047 / 0.0056 / 0.059830701
DPPE:DMPG(0.95:0.05) / 61 / -0.512 / 0.487 / 0.2288 / 0.364502526
DPPE:DMPG(0.90:0.10) / 59 / -0.526 / 0.473 / 0.2163 / 0.323611917
DPPE:DMPG(0.85:0.15) / 57 / -0.54 / 0.459 / 0.2057 / 0.275781261
DPPE:DMPG(0.80:0.20) / 55 / -0.555 / 0.444 / 0.1945 / 0.245590715
DPPE:DMPG(0.75:0.25) / 53 / -0.57 / 0.428 / 0.1887 / 0.212634745
DPPE:DMPG(0.70:0.30) / 51 / -0.588 / 0.411 / 0.1645 / 0.190829727
DPPE:DMPG(0.65:0.35) / 49 / -0.606 / 0.393 / 0.1535 / 0.16740892
DPPE:DMPG(0.60:0.40) / 47 / -0.625 / 0.375 / 0.1459 / 0.148078441
DPPE:DMPG(0.55:0.45) / 45 / -0.645 / 0.354 / 0.1339 / 0.132038191
DPPE:DMPG(0.50:0.50) / 43 / -0.666 / 0.333 / 0.1167 / 0.118638095
DPPE:DMPG(0.45:0.55) / 41 / -0.689 / 0.31 / 0.1083 / 0.107352305
DPPE:DMPG(0.40:0.60) / 39 / -0.714 / 0.285 / 0.0974 / 0.096903847
DPPE:DMPG(0.35:0.65) / 37 / -0.74 / 0.259 / 0.0885 / 0.088501633
DPPE:DMPG(0.30:0.70) / 35 / -0.769 / 0.23 / 0.0647 / 0.081817263
DPPE:DMPG(0.25:0.75) / 33 / -0.8 / 0.2 / 0.0432 / 0.075925326
DPPE:DMPG(0.20:0.80) / 31 / -0.833 / 0.166 / 0.0315 / 0.07130596
DPPE:DMPG(0.15:0.85) / 29 / -0.869 / 0.13 / 0.0297 / 0.066879246
DPPE:DMPG(0.10:0.90) / 27 / -0.9 / 0.09 / 0.024 / 0.063593609
DPPE:DMPG(0.05:0.95) / 25 / -0.952 / 0.047 / 0.0125 / 0.061326812
CARDIO:DSPE(0.25:0.75) / 50.5 / -0.625 / 0.375 / 0.085 / 0.168708224
CARDIO:DSPE(0.5:0.5) / 27 / -0.75 / 0.25 / 0.1948 / 0.059355646
CARDIO:DMPE(0.25:0.75) / 32.5 / -0.625 / 0.375 / 0.2118 / 0.08211434
CARDIO:DMPE(0.5:0.5) / 15 / -0.75 / 0.25 / 0.089 / 0.028299934
CARDIO:DPPE (0.5:0.5) / 21.5 / -0.75 / 0.25 / 0.0358 / 0.044788234
CARDIO:DPPE (0.75:0.25) / 42.25 / -0.875 / 0.125 / 0.084 / 0.101151198