Project name: nonoCTLA4

Chain sequence(s)	A: EVQLVESGGGLVQPGGSLRLSCAASGFTFSSYGMHWFRQAPGKGREWVAVIWYDGSNKYYADSVKGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCARDPRGATLYYYYYGMDVWGQGTQVTVSSEDLYFQSL
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:49)

• Minimal score value: -2.8388
• Maximal score value: 2.8466
• Average score: -0.5239
• Total score value: -69.683

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
4	E	A	-2.1190
5	V	A	-1.4383
6	Q	A	-1.2728
7	L	A	0.0000
8	V	A	1.1940
9	E	A	0.0000
10	S	A	-0.5941
11	G	A	-1.1726
12	G	A	-0.7856
13	G	A	-0.0073
14	L	A	1.1331
15	V	A	0.1057
16	Q	A	-1.4617
17	P	A	-1.4471
18	G	A	-1.2917
19	G	A	-1.0054
20	S	A	-1.1846
21	L	A	-0.9146
22	R	A	-2.1511
23	L	A	0.0000
24	S	A	-0.3453
25	C	A	0.0000
26	A	A	-0.2288
27	A	A	0.0000
28	S	A	-1.0990
29	G	A	-1.2520
30	F	A	-0.6377
31	T	A	-0.3078
32	F	A	0.0000
33	S	A	-0.8592
34	S	A	-0.1964
35	Y	A	0.2085
36	G	A	0.0000
37	M	A	0.0000
38	H	A	0.0000
39	W	A	0.0000
40	F	A	0.0000
41	R	A	0.0000
42	Q	A	-1.8343
43	A	A	-1.7847
44	P	A	-1.0690
45	G	A	-1.7601
46	K	A	-2.8388
47	G	A	-2.5758
48	R	A	-2.7955
49	E	A	-1.8811
50	W	A	-0.6370
51	V	A	0.0000
52	A	A	0.0000
53	V	A	0.0000
54	I	A	0.0000
55	W	A	-0.3546
56	Y	A	-0.6060
57	D	A	-1.7472
58	G	A	-1.3022
59	S	A	-1.0537
60	N	A	-0.9000
61	K	A	-0.5724
62	Y	A	0.0983
63	Y	A	-0.5370
64	A	A	-1.1255
65	D	A	-2.3467
66	S	A	-1.7683
67	V	A	0.0000
68	K	A	-2.5011
69	G	A	-1.7490
70	R	A	-1.5088
71	F	A	0.0000
72	T	A	-0.8607
73	I	A	0.0000
74	S	A	-0.4929
75	R	A	-1.1754
76	D	A	-1.6116
77	N	A	-2.0878
78	A	A	-1.5903
79	K	A	-2.6183
80	R	A	-2.4803
81	M	A	-1.1538
82	V	A	0.0000
83	Y	A	-0.5696
84	L	A	0.0000
85	Q	A	-1.2713
86	M	A	0.0000
87	N	A	-1.3458
88	S	A	-1.1760
89	L	A	0.0000
90	R	A	-2.1441
91	A	A	-1.6340
92	E	A	-2.1941
93	D	A	0.0000
94	T	A	-0.7947
95	A	A	0.0000
96	V	A	-0.4309
97	Y	A	0.0000
98	Y	A	-0.1222
99	C	A	0.0000
100	A	A	0.0000
101	R	A	0.0000
102	D	A	0.0000
103	P	A	0.3448
104	R	A	0.0000
105	G	A	0.1067
106	A	A	0.4359
107	T	A	0.6333
108	L	A	2.0515
109	Y	A	2.3583
110	Y	A	0.0000
111	Y	A	2.4951
112	Y	A	2.8466
113	Y	A	2.1015
114	G	A	0.8448
115	M	A	0.2639
116	D	A	-0.8060
117	V	A	-0.5696
118	W	A	-0.0801
119	G	A	-0.1263
120	Q	A	-0.7987
121	G	A	-0.4878
122	T	A	-0.6595
123	Q	A	-0.9302
124	V	A	0.0000
125	T	A	-0.2089
126	V	A	0.0000
127	S	A	-1.4344
128	S	A	-2.0638
129	E	A	-2.4024
130	D	A	-1.4370
131	L	A	1.2165
132	Y	A	1.9141
133	F	A	2.2849
134	Q	A	0.5429
135	S	A	0.5683
136	L	A	1.3477