Project name: Nb_1_Ayse

Chain sequence(s)	A: QVQLVESGGGLVQPGGSLRLSCAASGDSNFDFSEYSLGWFRQAPGQGLEAVAAISADGSETYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAAGPSVLFNPLSPEEYEYWGQGTLVTVSS
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)

• Minimal score value: -3.1961
• Maximal score value: 1.9249
• Average score: -0.7061
• Total score value: -90.3774

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	-2.1523
2	V	A	-1.9781
3	Q	A	-1.2641
4	L	A	0.0000
5	V	A	0.7126
6	E	A	0.0000
7	S	A	-0.2650
8	G	A	-0.8939
9	G	A	0.0414
10	G	A	0.6467
11	L	A	1.4116
12	V	A	-0.1210
13	Q	A	-1.4371
14	P	A	-1.7952
15	G	A	-1.5215
16	G	A	-1.0046
17	S	A	-1.3060
18	L	A	-0.9344
19	R	A	-2.1771
20	L	A	0.0000
21	S	A	-0.4883
22	C	A	0.0000
23	A	A	-0.2694
24	A	A	0.0000
25	S	A	-1.5323
26	G	A	-2.4945
27	D	A	-3.1721
28	S	A	-2.2573
29	N	A	-2.5981
30	F	A	0.0000
31	D	A	-3.1961
32	F	A	0.0000
33	S	A	-2.3824
34	E	A	-2.5660
35	Y	A	-1.1891
36	S	A	0.0000
37	L	A	0.0000
38	G	A	0.0000
39	W	A	0.0000
40	F	A	0.0000
41	R	A	0.0000
42	Q	A	-0.7198
43	A	A	-0.9841
44	P	A	-0.9983
45	G	A	-1.2790
46	Q	A	-1.8122
47	G	A	-1.1306
48	L	A	-0.1914
49	E	A	-0.5143
50	A	A	0.0000
51	V	A	0.0000
52	A	A	0.0000
53	A	A	0.0000
54	I	A	0.0000
55	S	A	0.0000
56	A	A	0.0000
57	D	A	-2.7165
58	G	A	-1.9165
59	S	A	-1.7026
60	E	A	-2.0681
61	T	A	-0.7348
62	Y	A	-0.2928
63	Y	A	-0.7145
64	A	A	0.0000
65	D	A	-2.4636
66	S	A	-1.7994
67	V	A	0.0000
68	K	A	-2.5785
69	G	A	-1.7499
70	R	A	-1.5223
71	F	A	0.0000
72	T	A	-0.8014
73	I	A	0.0000
74	S	A	-0.4224
75	R	A	-1.3579
76	D	A	-1.8808
77	N	A	-2.6820
78	S	A	-1.7962
79	K	A	-2.5381
80	N	A	-2.1697
81	T	A	0.0000
82	L	A	0.0000
83	Y	A	-0.6346
84	L	A	0.0000
85	Q	A	-1.2598
86	M	A	0.0000
87	N	A	-1.5186
88	S	A	-1.3867
89	L	A	0.0000
90	R	A	-2.9075
91	A	A	-2.0216
92	E	A	-2.4625
93	D	A	0.0000
94	T	A	-0.5213
95	A	A	0.0000
96	V	A	0.9076
97	Y	A	0.0000
98	Y	A	0.3577
99	C	A	0.0000
100	A	A	0.0000
101	A	A	0.0000
102	G	A	0.0000
103	P	A	-0.0189
104	S	A	0.2639
105	V	A	1.9249
106	L	A	1.6350
107	F	A	0.8184
108	N	A	0.0079
109	P	A	0.4665
110	L	A	0.9089
111	S	A	-0.2122
112	P	A	-0.9681
113	E	A	-2.2581
114	E	A	-1.2396
115	Y	A	0.0000
116	E	A	-2.0311
117	Y	A	-0.9175
118	W	A	-0.0958
119	G	A	-0.1320
120	Q	A	-0.8657
121	G	A	0.0000
122	T	A	0.6531
123	L	A	1.7615
124	V	A	0.0000
125	T	A	0.3268
126	V	A	0.0000
127	S	A	-0.7446
128	S	A	-0.4921