Project name: r00

Chain sequence(s)	A: QVQLQQSGPELVKPGASVRMSCKTSGYTFTDYVISWFKQRPGQEREGIGEIFPRTGSTYYNENFKATATLTADKSSNTAYMQLSSLTSEDSAAYFCAFITSVDWAMEYWGQGTSVTVSS; C: RLLEMEFEERKRAAE
Selected Chain(s)	A,C
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:54)

• Minimal score value: -3.5328
• Maximal score value: 0.9627
• Average score: -0.9228
• Total score value: -123.6596

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
1	Q	A	-1.2692
2	V	A	-0.7248
3	Q	A	-1.0075
4	L	A	0.0000
5	Q	A	-1.7108
6	Q	A	-1.2795
7	S	A	-1.1997
8	G	A	-0.8392
9	P	A	-0.6002
10	E	A	-0.5314
11	L	A	0.6975
12	V	A	-0.4517
13	K	A	-1.8141
14	P	A	-1.7442
15	G	A	-1.0149
16	A	A	-0.7441
17	S	A	-1.0233
18	V	A	0.0000
19	R	A	-2.0609
20	M	A	0.0000
21	S	A	-0.7287
22	C	A	0.0000
23	K	A	-1.5643
24	T	A	0.0000
25	S	A	-1.0809
26	G	A	-0.8360
27	Y	A	-0.4466
28	T	A	-0.5304
29	F	A	0.0000
30	T	A	-1.2184
31	D	A	-0.7850
32	Y	A	-0.1071
33	V	A	0.0000
34	I	A	0.0000
35	S	A	0.0000
36	W	A	0.0000
37	F	A	-0.3977
38	K	A	-1.1550
39	Q	A	-2.2527
40	R	A	-2.8195
41	P	A	-2.0046
42	G	A	-1.9894
43	Q	A	-3.1020
44	E	A	-3.5328
45	R	A	-2.9207
46	E	A	-1.8386
47	G	A	-0.9035
48	I	A	0.0000
49	G	A	-0.4432
50	E	A	0.0000
51	I	A	0.0000
52	F	A	0.0000
53	P	A	0.0000
54	R	A	-1.3763
55	T	A	-0.7361
56	G	A	-0.8248
57	S	A	-0.5066
58	T	A	-0.0930
59	Y	A	-0.5891
60	Y	A	-1.2301
61	N	A	-1.8462
62	E	A	-3.1702
63	N	A	-2.5637
64	F	A	-1.8168
65	K	A	-2.5923
66	A	A	-1.2024
67	T	A	-0.7288
68	A	A	0.0000
69	T	A	-0.5263
70	L	A	0.0000
71	T	A	-0.3877
72	A	A	-1.0621
73	D	A	-1.8053
74	K	A	-2.4905
75	S	A	-1.5114
76	S	A	-1.3864
77	N	A	-1.7886
78	T	A	0.0000
79	A	A	0.0000
80	Y	A	-0.2842
81	M	A	0.0000
82	Q	A	-1.1185
83	L	A	0.0000
84	S	A	-0.5779
85	S	A	-0.5691
86	L	A	-0.8576
87	T	A	-1.2165
88	S	A	-1.9036
89	E	A	-3.1686
90	D	A	-2.8624
91	S	A	-1.4381
92	A	A	-0.9376
93	A	A	-0.5454
94	Y	A	0.0000
95	F	A	-0.2700
96	C	A	0.0000
97	A	A	0.0000
98	F	A	0.0000
99	I	A	0.0000
100	T	A	-0.2142
101	S	A	0.0058
102	V	A	0.8066
103	D	A	-0.9233
104	W	A	-0.3969
105	A	A	-0.4208
106	M	A	-0.2690
107	E	A	-1.2797
108	Y	A	-0.3043
109	W	A	-0.1814
110	G	A	-0.8109
111	Q	A	-1.3375
112	G	A	-0.9073
113	T	A	0.0000
114	S	A	-0.5549
115	V	A	0.0000
116	T	A	-0.9047
117	V	A	0.0000
118	S	A	-1.4992
119	S	A	-1.0438
1	R	C	-0.9977
2	L	C	0.9627
3	L	C	0.3499
4	E	C	-0.1720
5	M	C	-0.3331
6	E	C	-1.0893
7	F	C	0.0000
8	E	C	-1.6740
9	E	C	-2.9349
10	R	C	-2.1931
11	K	C	-2.2947
12	R	C	-3.0785
13	A	C	-1.6046
14	A	C	-1.9397
15	E	C	-2.4658