Table 2. Amino acid sequences and experimental and predicted bioactivities of 90 MHC-I peptides in the training set.
| No. | Peptide sequence |
Expt pIC50 |
Pred pIC50 |
pIC50 Diff |
No. | Peptide sequence |
Expt pIC50 |
Pred pIC50 |
pIC50 Diff |
|---|---|---|---|---|---|---|---|---|---|
| 1 | VALVGLFVL | 5.148 | 5.7543 | -0.6063 | 46 | VVMGTLVAL | 7.174 | 7.3163 | -0.1423 |
| 2 | GTLVALVGL | 5.342 | 5.9368 | -0.5948 | 47 | YLEPGPVTI | 7.187 | 7.1654 | 0.0216 |
| 3 | LQTTIHDII | 5.501 | 5.8143 | -0.3133 | 48 | GLSRYVARL | 7.248 | 7.4620 | -0.2131 |
| 4 | SLHVGTQCA | 5.842 | 6.1580 | -0.3160 | 49 | LLAQFTSAI | 7.301 | 7.4302 | -0.1292 |
| 5 | ALPYWNFAT | 5.869 | 6.6416 | -0.7726 | 50 | VLLDYQGML | 7.328 | 7.5911 | -0.2631 |
| 6 | SLNFMGYVI | 5.881 | 5.9560 | -0.0750 | 51 | YLEPGPVTV | 7.342 | 7.4078 | -0.0658 |
| 7 | NLQSLTNLL | 6.000 | 6.6992 | -0.6992 | 52 | ILSPFMPLL | 7.3470 | 7.1400 | 0.2070 |
| 8 | FVTWHRYHL | 6.025 | 5.7230 | 0.3020 | 53 | YLSPGPVTA | 7.383 | 7.5610 | -0.1780 |
| 9 | DPKVKQWPL | 6.176 | 5.7407 | 0.4354 | 54 | IIDQVPFSV | 7.398 | 7.6528 | -0.2548 |
| 10 | ITSQVPFSV | 6.196 | 6.5888 | -0.3928 | 55 | SVYDFFVWL | 7.444 | 7.3654 | 0.0786 |
| 11 | ALAKAAAAI | 6.211 | 6.2433 | -0.0323 | 56 | ITWQVPFSV | 7.463 | 7.4417 | 0.0213 |
| 12 | GLGQVPLIV | 6.301 | 6.5651 | -0.2641 | 57 | ITYQVPFSV | 7.480 | 7.6613 | -0.1813 |
| 13 | MLDLQPETT | 6.335 | 6.8570 | -0.5220 | 58 | GLYSSTVPV | 7.481 | 7.6303 | -0.1493 |
| 14 | LLSSNLSWL | 6.342 | 6.3502 | -0.0082 | 59 | VMGTLVALV | 7.553 | 7.2369 | 0.3161 |
| 15 | GLACHQLCA | 6.380 | 6.0594 | 0.3206 | 60 | LLLCLIFLL | 7.585 | 7.1406 | 0.4444 |
| 16 | LIGNESFAL | 6.415 | 7.0559 | -0.6409 | 61 | SLDDYNHLV | 7.585 | 7.1764 | 0.4086 |
| 17 | ALAKAAAAV | 6.419 | 6.4857 | -0.0667 | 62 | VLIQRNPQL | 7.644 | 6.9473 | 0.6967 |
| 18 | LLAVGATKV | 6.477 | 6.5115 | -0.0344 | 63 | SLYADSPSV | 7.658 | 7.7106 | -0.0526 |
| 19 | ALAKAAAAL | 6.511 | 6.2262 | 0.2848 | 64 | ILSQVPFSV | 7.699 | 7.6472 | 0.0518 |
| 20 | WILRGTSFV | 6.556 | 6.9084 | -0.3524 | 65 | IMDQVPFSV | 7.719 | 8.0305 | -0.3115 |
| 21 | IISCTCPTV | 6.580 | 6.6649 | -0.0849 | 66 | QLFEDNYAL | 7.764 | 7.4713 | 0.2927 |
| 22 | FLGGTPVCL | 6.623 | 6.8756 | -0.2526 | 67 | ALMDKSLHV | 7.770 | 7.5250 | 0.2450 |
| 23 | ALIHHNTHL | 6.623 | 6.7908 | -0.1677 | 68 | YAIDLPVSV | 7.796 | 7.6075 | 0.1885 |
| 24 | NLSWLSLDV | 6.639 | 6.0466 | 0.5924 | 69 | FVWLHYYSV | 7.824 | 8.1149 | -0.2909 |
| 25 | YMIMVKCWM | 6.663 | 6.6427 | 0.02035 | 70 | MLGTHTMEV | 7.845 | 7.3180 | 0.5270 |
| 26 | VLQAGFFLL | 6.682 | 7.0412 | -0.3592 | 71 | LLFGYPVYV | 7.886 | 8.0253 | -0.1393 |
| 27 | GTLGIVCPI | 6.714 | 6.5233 | 0.1907 | 72 | ILKEPVHGV | 7.921 | 7.5915 | 0.3295 |
| 28 | VILGVLLLI | 6.785 | 7.4728 | -0.6878 | 73 | YLMPGPVTV | 7.932 | 7.9139 | 0.0181 |
| 29 | VTWHRYHLL | 6.793 | 6.5597 | 0.2333 | 74 | WLDQVPFSV | 7.939 | 7.9514 | -0.0124 |
| 30 | PLLPIFFCL | 6.796 | 7.5217 | -0.7257 | 75 | KTWGQYWQV | 7.955 | 7.6934 | 0.2616 |
| 31 | TLGIVCPIC | 6.815 | 5.9499 | 0.8651 | 76 | ALMPLYACI | 8.000 | 7.4383 | 0.5617 |
| 32 | CLTSTVQLV | 6.832 | 7.1061 | -0.2741 | 77 | YLAPGPVTA | 8.032 | 7.6408 | 0.3912 |
| 33 | ILLLCLIFL | 6.845 | 6.7815 | 0.0635 | 78 | YLYPGPVTV | 8.051 | 8.3112 | -0.2602 |
| 34 | FAFRDLCIV | 6.886 | 6.6689 | 0.2171 | 79 | LLMGTLGIV | 8.097 | 7.6769 | 0.4201 |
| 35 | FLEPGPVTA | 6.898 | 7.4940 | -0.5960 | 80 | YLWPGPVTV | 8.125 | 8.0916 | 0.0334 |
| 36 | ALAKAAAAA | 6.947 | 6.8081 | 0.1389 | 81 | FLLTRILTI | 8.149 | 7.8796 | 0.2694 |
| 37 | LMAVVLASL | 6.954 | 7.4908 | -0.5368 | 82 | GLLGWSPQA | 8.237 | 8.2184 | 0.0185 |
| 38 | YVITTQHWL | 6.983 | 6.3410 | 0.6420 | 83 | ILYQVPFSV | 8.310 | 8.7197 | -0.4097 |
| 39 | LLCLIFLLV | 6.996 | 7.5015 | -0.5055 | 84 | GILTVILGV | 8.347 | 7.8414 | 0.5056 |
| 40 | ITAQVPFSV | 7.020 | 6.6685 | 0.3515 | 85 | NMVPFFPPV | 8.398 | 8.0854 | 0.3126 |
| 41 | YLEPGPVTL | 7.058 | 7.1483 | -0.0903 | 86 | ILDQVPFSV | 8.481 | 7.6904 | 0.7906 |
| 42 | YTDQVPFSV | 7.066 | 7.0742 | -0.0082 | 87 | YLFPGPVTA | 8.495 | 8.3473 | 0.1477 |
| 43 | NLYVSLLLL | 7.114 | 6.9769 | 0.1371 | 88 | YLDQVPFSV | 8.638 | 8.1326 | 0.5054 |
| 44 | ILHNGAYSL | 7.127 | 7.3493 | -0.2223 | 89 | ILFQVPFSV | 8.699 | 8.4335 | 0.2655 |
| 45 | SIISAVVGI | 7.159 | 7.3048 | -0.1458 | 90 | ILWQVPFSV | 8.770 | 8.5002 | 0.2698 |
Statistical indices:
R=0.887132 R2= 0.787003 RES=0.366873 SEE=0.038672.