Table V.

OptGraft-predicted Mutations (Step 1) Required for Constructing the Calcium Binding Site into the First Domain of CD2

	Geometry score		Mutations			Distancea (Å)
1	18.7	78V→T	80V→D	89L→D	91K→Q	4.00
2	27.3	54A→D	65I→D	67N→T	69T→Q	3.32
3	27.7	8G→D	9A→T	68L→Q	97I→D	2.80
4	28.3	27I→D	29E→D	81Y→T	88I→Q	2.60
5	30.2	54A→D	66K→D	67N→T	69T→Q	2.75
6	30.4	6V→D	76Y→Q	93L→T	95L→D	2.90
7	30.5	54A→D	65I→D	67N→T	68T→Q	4.06
8	31.5	15N→D	16L→D	58L→Q	63L→T	2.03
9	31.8	78V→T	80V→Q	89L→D	91K→D	4.45
10	32.1	8G→D	9A→T	12H→Q	97I→D	2.67
11	32.2	6V→Q	76Y→D	93L→D	94D→T	3.04
12	32.8	28D→T	29E→D	44R→Q	81Y→D	2.55
13	33.3	16L→Q	58L→D	62D→D	63L→T	0.77
14	33.5	33E→T	39V→Q	76Y→D	77N→D	0.85
15	33.8	6V→D	16L→D	76Y→Q	93L→T	3.97
16	33.9	6V→D	76T→Q	94D→T	95L→D	2.85
17	34.2	27I→D	28D→D	81Y→T	88I→Q	2.84
18	34.3	78V→D	80V→Q	89L→T	91K→D	4.25
19	34.8	50L→D	51K→D	52S→T	54A→Q	3.22
20	34.8	32W→D	33E→T	39V→D	77N→Q	2.04
21	35.4	4G→Q	78V→D	91K→D	92A→T	1.99
22	35.7	32W→T	39V→Q	76Y→D	77N→D	1.79
23	36.0	8G→D	68L→T	72D→Q	97I→D	4.79
24	36.2	9A→D	12H→T	14I→Q	68L→D	3.93
25	36.3	8G→D	12H→T	14I→D	68L→Q	3.61
26	36.7	29E→D	31R→Q	79T→T	81Y→D	4.30
27	36.8	32W→Q	38L→D	40A→T	49F→D	2.37
28	37.43	32W→D	38L→D	40A→T	49F→Q	2.10
29	37.51	16L→D	58L→Q	62D→D	63L→T	2.95
30	37.55	9A→T	12H→D	68L→D	98L→Q	2.46

^aDistance between the calcium and the nearest Cα atom in the protein backbone. The vdw radii for calcium and carbon are 1.95 and 1.55 Å, respectively.