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. 2010 Feb 26;32(2):163–174. doi: 10.1016/j.immuni.2009.11.013

Table 2.

Analysis of Model Fitting to Data Subsets

pMHCs Removeda KD - koff Correlation
 Goodness-of-Fit Statisticsb
 F-Test for Model Comparisonc
KD
 koff
 CT
 MF
 CT+MF
 CT/KD
 CT/koff
 MF/koff
 CT+MF/CM
 CT+MF/MF
R2 R2 p R2 p R2 p R2 p R2 p p p p p p
0 0.74 0.72 1.70E-05 0.78 3.04E-06 0.83 3.94E-06 0.78 2.14E-05 0.89 2.12E-06 0.009 0.051 0.461 0.026 0.005
1 0.54 0.59 0.0005 0.65 0.0002 0.74 0.0001 0.70 0.0004 0.84 4.31E-05 0.014 0.043 0.166 0.019 0.006
2 0.39 0.47 0.0048 0.53 0.0021 0.66 0.0015 0.61 0.0038 0.80 0.0004 0.023 0.052 0.155 0.019 0.008
3 0.18 0.26 0.0621 0.24 0.0763 0.40 0.0577 0.34 0.0993 0.60 0.0235 0.131 0.108 0.213 0.054 0.031
4 1.2E-03 0.26 0.0738 0.21 0.1187 0.68 0.0034 0.31 0.1563 0.73 0.0062 0.005 0.003 0.249 0.224 0.005
5 1.0E-04 0.26 0.0876 0.14 0.2309 0.65 0.0085 0.59 0.0177 0.79 0.0041 0.011 0.005 0.012 0.048 0.024
6 4.4E-07 0.27 0.1050 0.21 0.1588 0.69 0.0095 0.32 0.2112 0.76 0.0150 0.011 0.008 0.279 0.205 0.010
7 1.2E-07 0.26 0.1313 0.15 0.2666 0.69 0.0157 0.58 0.0468 0.79 0.0191 0.016 0.010 0.031 0.156 0.053
8 1.5E-09 0.20 0.2229 0.20 0.2271 0.64 0.0463 0.29 0.3561 0.71 0.0833 0.035 0.035 0.414 0.332 0.044
9 6.3E-07 0.26 0.2004 0.20 0.2602 0.72 0.0400 0.31 0.3965 0.76 0.0994 0.033 0.028 0.424 0.486 0.052
a

The first row corresponds to the entire data set of 17 pMHC variants and the last row, where nine pMHC are removed, corresponds to the subset of eight pMHC variants. Each subset represents the set of pMHC variants that minimize the KD-koff correlation. See Results and Figure 4 for details on subset analysis. The quality of the fit for KD and koff models are shown in Figures 3A and 3B (entire data set) and Figures 4C and 4D (subset of 13 pMHC variants).

b

R2 and p values are calculated based on the quality of the fit and the number of free parameters for each model (see Experimental Procedures for details). Abbreviations: CT, confinement time model; MF, molecular flexibility model; CT+MF, combined confinement and flexibility models. The quality of the fit for the CT, MF, and CT+MF models are shown in Figure 5 for the entire data set (B, D, F) and for the subset of 13 pMHC variants (C, E, G).

c

F-test provides a p value for the null hypothesis that the simpler model (with fewer parameters) is sufficient to explain the data. Simpler models are shown after the slash. Details are provided in the Experimental Procedures.