Table 2.

Predicted values of amide and hydrocarbon ΔASA for U → TS, TS → F, and U → F; comparison with structural values for U → F

Protein	PDB ID code	Predicted U → TS ΔASA		Predicted TS → F ΔASA		Predicted U → F ΔASA		U → F ΔASA from structure*
		Hydrocarbon, Å2	Amide, Å2	Hydrocarbon, Å2	Amide, Å2	Hydrocarbon, Å2	Amide, Å2	Hydrocarbon, Å2	Amide, Å2
NTL9	1CQU (51)	−1,282 ± 339	−471 ± 86	−958 ± 335	−328 ± 61	−2,241 ± 485	−799 ± 128	−2,726†	−729†
Bc-Csp	1C9O (52)	−1,800 ± 122	−801 ± 106	−908 ± 45	−133 ± 27	−2,708 ± 154	−934 ± 129	−3,436	−1213
Bs-Csp	1NMG (53)	−2,292 ± 238	−923 ± 238	−207 ± 266	−2 ± 71	−2,499 ± 358	−926 ± 256	−3,425	−1,054
FynSH3	1NYF (54)	−1,534 ± 94	−577 ± 75	−1,362 ± 66	−306 ± 48	−2,905 ± 152	−883 ± 122	−2,726	−691
434 Cro	2CRO (55)	−2,673 ± 469	−1,278 ± 333	−840 ± 506	−113 ± 147	−3,514 ± 698	−1,391 ± 400	−3,705†	−1,106†
PLB1	1HZ6 (56)	−1,231 ± 115	−703 ± 84	−686 ± 101	−308 ± 39	−1,916 ± 180	−1,011 ± 122	−3,259	−1,220
CI2	2CI2 (57)	−1,672 ± 95	−562 ± 75	−1,575 ± 93	−397 ± 59	−3,248 ± 174	−959 ± 134	−3,259	−834
HPr	1POH (58)	−2,629 ± 186	−890 ± 125	−2,370 ± 346	−542 ± 88	−4,999 ± 428	−1,431 ± 207	−4,656	−1,525
ACP	1APS (59)	−2,472 ± 256	−1,647 ± 344	−2,638 ± 166	94 ± 174	−5,110 ± 326	−1,554 ± 439	−5,391	−1,652
ACP-1	2VH7 (60)	−2,647 ± 346	−2,215 ± 455	−2,786 ± 266	−409 ± 207	−5,434 ± 491	−2,624 ± 608	−5,765	−1,818
RPS6	1RIS (61)	−3,026 ± 315	−909 ± 127	−3,065 ± 431	−494 ± 96	−6,091 ± 564	−1,402 ± 219	−5,796	−1,561
FKBP	1FKD (62)	−2,760 ± 271	−1,916 ± 396	−3,243 ± 253	−447 ± 242	−6,003 ± 437	−2,364 ± 588	−6,529†	−1,295†
T4L	1B6I (63)	−5,534 ± 570	−1,796 ± 255	−1,841 ± 189	−542 ± 79	−7,375 ± 643	−2,338 ± 328	−9,806	−2,606

^*ΔASA calculated for an extended model of the denatured state.

^†ΔASA values from Guinn et al. (6).