Project name: QPKAA-141VHH

Chain sequence(s)	A: QPKAAPEVQLVESGGGLVQPGGSLRLSCAASLEHVAIGWFRQAPGKEREGVSCISSSGGHIHYADSVKGRFTISRDNSKNTVYLQMNSLRAEDTAVYYCAAAVSYWECYDKLDYWGQGTLVTVSSPP
Selected Chain(s)	A
Distance of aggregation	5 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 A 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                                          (00:01:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:49)

• Minimal score value: -2.3488
• Maximal score value: 1.739
• Average score: -0.2989
• Total score value: -37.9564

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	-1.2441
2	P	A	-0.7813
3	K	A	-1.7360
4	A	A	-0.2401
5	A	A	0.0235
6	P	A	-0.5783
7	E	A	-1.8129
8	V	A	-0.1986
9	Q	A	-0.8364
10	L	A	0.0000
11	V	A	1.7390
12	E	A	0.1145
13	S	A	-0.2393
14	G	A	-0.3625
15	G	A	-0.2583
16	G	A	0.0781
17	L	A	1.5444
18	V	A	0.2315
19	Q	A	-1.2102
20	P	A	-0.5407
21	G	A	-0.5504
22	G	A	-0.1662
23	S	A	-0.1654
24	L	A	-0.1412
25	R	A	-1.8500
26	L	A	0.0000
27	S	A	-0.0110
28	C	A	0.0000
29	A	A	0.0293
30	A	A	-0.0252
31	S	A	-0.1530
32	L	A	-0.0453
33	E	A	-1.9391
34	H	A	-1.2899
35	V	A	-0.0035
36	A	A	0.0000
37	I	A	0.0000
38	G	A	0.0000
39	W	A	0.0000
40	F	A	0.3373
41	R	A	0.0000
42	Q	A	-0.7151
43	A	A	-0.1394
44	P	A	-0.3368
45	G	A	-0.8144
46	K	A	-2.1208
47	E	A	-2.3488
48	R	A	-1.7059
49	E	A	-1.0178
50	G	A	-0.3183
51	V	A	0.0000
52	S	A	0.0000
53	C	A	0.0000
54	I	A	0.0000
55	S	A	0.0000
56	S	A	-0.1514
57	S	A	-0.2400
58	G	A	-0.2497
59	G	A	-0.5876
60	H	A	-0.4059
61	I	A	0.9393
62	H	A	-0.7135
63	Y	A	0.0522
64	A	A	-0.2751
65	D	A	-1.8260
66	S	A	-0.5324
67	V	A	0.0000
68	K	A	-1.7846
69	G	A	-0.8309
70	R	A	-0.3981
71	F	A	0.0000
72	T	A	-0.0465
73	I	A	0.0000
74	S	A	-0.1645
75	R	A	-0.4087
76	D	A	-0.7472
77	N	A	-0.8574
78	S	A	-0.6365
79	K	A	-1.8232
80	N	A	-0.8526
81	T	A	0.0000
82	V	A	0.0000
83	Y	A	0.1558
84	L	A	0.0000
85	Q	A	-0.5982
86	M	A	0.0000
87	N	A	-0.5607
88	S	A	-0.3578
89	L	A	0.0000
90	R	A	-1.8334
91	A	A	-0.6032
92	E	A	-1.8095
93	D	A	0.0000
94	T	A	-0.0187
95	A	A	0.0000
96	V	A	0.7492
97	Y	A	0.0000
98	Y	A	0.1929
99	C	A	0.0000
100	A	A	0.0000
101	A	A	0.0000
102	A	A	0.0000
103	V	A	1.7340
104	S	A	0.3461
105	Y	A	1.4111
106	W	A	0.8514
107	E	A	-0.4764
108	C	A	0.2451
109	Y	A	1.2481
110	D	A	-0.5608
111	K	A	-1.7323
112	L	A	-0.3233
113	D	A	-1.6439
114	Y	A	0.2433
115	W	A	0.4757
116	G	A	-0.1992
117	Q	A	-1.2259
118	G	A	-0.2849
119	T	A	0.2565
120	L	A	1.6203
121	V	A	0.0000
122	T	A	0.1630
123	V	A	0.0000
124	S	A	-0.1593
125	S	A	-0.2815
126	P	A	-0.3399
127	P	A	-0.3011