Project name: Ghazi_Nb4

Chain sequence(s)	A: QVQLQESGGGSVQAGGSLRLSCAVRRPTDSRNCMAWFRQAPGEQREAVAGIDIYRITGYAESVKGRFTISQDNAKNTLFLLQMMNLKPTDTGIYFCAAEPKGGYYRGDLVPGQFTYWGRGTQVTVSS
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                                          (00:01:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:33)

• Minimal score value: -3.106
• Maximal score value: 1.3014
• Average score: -0.8883
• Total score value: -112.8179

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	-2.0337
2	V	A	0.0000
3	Q	A	-2.2512
4	L	A	0.0000
5	Q	A	-1.6230
6	E	A	0.0000
7	S	A	-1.0238
8	G	A	-1.2181
9	G	A	-1.1582
10	G	A	-0.9468
11	S	A	-0.7357
12	V	A	-0.8692
13	Q	A	-1.8098
14	A	A	-1.6573
15	G	A	-1.6657
16	G	A	-1.1801
17	S	A	-1.1581
18	L	A	-1.0613
19	R	A	-2.0853
20	L	A	0.0000
21	S	A	-0.9989
22	C	A	0.0000
23	A	A	-0.8647
24	V	A	0.0000
25	R	A	-2.8461
26	R	A	-3.1060
27	P	A	-2.4234
28	T	A	-1.7026
29	D	A	-1.8381
30	S	A	-1.7056
31	R	A	-2.4008
32	N	A	0.0000
33	C	A	0.0000
34	M	A	0.0000
35	A	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	0.0000
39	Q	A	-1.6216
40	A	A	-1.4688
41	P	A	-1.2523
42	G	A	-1.8166
43	E	A	-3.0294
44	Q	A	-2.7636
45	R	A	-1.8649
46	E	A	-1.5449
47	A	A	-0.6988
48	V	A	0.0000
49	A	A	0.0000
50	G	A	0.0000
51	I	A	0.0000
52	D	A	0.0000
53	I	A	0.2118
54	Y	A	1.1063
55	R	A	-0.1293
56	I	A	1.3014
57	T	A	0.5290
58	G	A	-0.7404
59	Y	A	-1.0721
60	A	A	-1.6936
61	E	A	-2.5204
62	S	A	-1.6080
63	V	A	0.0000
64	K	A	-2.6177
65	G	A	-1.7430
66	R	A	-1.5121
67	F	A	0.0000
68	T	A	-0.7378
69	I	A	0.0000
70	S	A	-0.7752
71	Q	A	-1.4814
72	D	A	-2.1226
73	N	A	-1.6316
74	A	A	-1.2876
75	K	A	-2.2389
76	N	A	0.0000
77	T	A	-1.3686
78	L	A	-0.8543
79	F	A	0.0000
80	L	A	0.0000
81	L	A	0.0000
82	Q	A	-1.1545
83	M	A	0.0000
84	M	A	-1.0213
85	N	A	-1.8793
86	L	A	0.0000
87	K	A	-1.9677
88	P	A	-1.0900
89	T	A	-0.6019
90	D	A	0.0000
91	T	A	-0.5568
92	G	A	0.0000
93	I	A	-0.3574
94	Y	A	0.0000
95	F	A	-0.5414
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	E	A	-1.2640
100	P	A	-1.6282
101	K	A	-2.3488
102	G	A	-1.2818
103	G	A	-1.1089
104	Y	A	0.2549
105	Y	A	-0.6519
106	R	A	-2.1811
107	G	A	-1.9029
108	D	A	-1.9465
109	L	A	0.0000
110	V	A	0.0350
111	P	A	-0.4500
112	G	A	-0.6653
113	Q	A	-1.2990
114	F	A	0.0000
115	T	A	-0.4730
116	Y	A	-0.0576
117	W	A	-0.2259
118	G	A	-1.0971
119	R	A	-1.9466
120	G	A	0.0000
121	T	A	0.0000
122	Q	A	-1.2138
123	V	A	0.0000
124	T	A	-0.7887
125	V	A	0.0000
126	S	A	-1.0741
127	S	A	-0.9218