Project name: 3QWO

Chain sequence(s)	H: QVTLRESGPALVKPTQTLTLTCTFSGFSLSTAGMSVGWIRQPPGKALEWLADIWWDDKKHYNPSLKDRLTISKDTSKNQVVLKVTNMDPADTATYYCARDMIFNFYFDVWGQGTTVTVSS; L: DIQMTQSPSTLSASVGDRVTITCSASSRVGYMHWYQQKPGKAPKLLIYDTSKLASGVPSRFSGSGSGTEFTLTISSLQPDDFATYYCFQGSGYPFTFGGGTKVEIK
Selected Chain(s)	H,L
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 all 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                                          (00:01:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:01)

• Minimal score value: -2.8467
• Maximal score value: 2.6166
• Average score: -0.5999
• Total score value: -135.5885

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	H	-1.2078
2	V	H	-0.5255
3	T	H	-0.6478
4	L	H	0.0000
5	R	H	-1.3700
6	E	H	0.0000
7	S	H	-0.6980
8	G	H	-0.4272
9	P	H	-0.0980
11	A	H	0.2232
12	L	H	0.4215
13	V	H	0.0000
14	K	H	-1.7525
15	P	H	-1.7375
16	T	H	-1.8183
17	Q	H	-1.9659
18	T	H	-1.5199
19	L	H	0.0000
20	T	H	-0.6075
21	L	H	0.0000
22	T	H	-0.4108
23	C	H	0.0000
24	T	H	-0.9364
25	F	H	0.0000
26	S	H	-0.7837
27	G	H	-0.8297
28	F	H	-0.3004
29	S	H	-0.3992
30	L	H	0.0000
31	S	H	-0.7375
34	T	H	-0.2137
35	A	H	-0.0687
36	G	H	0.0000
37	M	H	0.5156
38	S	H	0.0000
39	V	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	I	H	0.0000
43	R	H	0.0000
44	Q	H	-0.8628
45	P	H	-0.9474
46	P	H	-1.0519
47	G	H	-1.4570
48	K	H	-2.1741
49	A	H	-1.2381
50	L	H	0.0000
51	E	H	-0.7149
52	W	H	0.0000
53	L	H	0.0000
54	A	H	0.0000
55	D	H	0.0000
56	I	H	0.0000
57	W	H	0.0000
58	W	H	-1.1887
59	D	H	-2.5376
63	D	H	-2.6566
64	K	H	-2.0822
65	K	H	-1.5284
66	H	H	-0.8766
67	Y	H	-0.8449
68	N	H	-1.0829
69	P	H	-1.4761
70	S	H	-1.1151
71	L	H	0.0000
72	K	H	-2.8094
74	D	H	-2.8467
75	R	H	-2.2745
76	L	H	0.0000
77	T	H	-1.0730
78	I	H	0.0000
79	S	H	-0.8604
80	K	H	-1.2224
81	D	H	-1.6197
82	T	H	-1.3342
83	S	H	-1.4917
84	K	H	-2.3599
85	N	H	-1.7757
86	Q	H	-1.4834
87	V	H	0.0000
88	V	H	-0.1630
89	L	H	0.0000
90	K	H	-1.1784
91	V	H	0.0000
92	T	H	-1.7669
93	N	H	-2.3296
94	M	H	0.0000
95	D	H	-2.2158
96	P	H	-1.1405
97	A	H	-0.5906
98	D	H	0.0000
99	T	H	-0.3428
100	A	H	0.0000
101	T	H	-0.3359
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	D	H	0.0000
108	M	H	1.4826
109	I	H	2.1677
110	F	H	2.6166
112	N	H	0.0000
113	F	H	1.4029
114	Y	H	0.0000
115	F	H	0.0000
116	D	H	-0.1431
117	V	H	-0.0575
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.8617
121	G	H	0.0000
122	T	H	-0.5906
123	T	H	-0.2241
124	V	H	0.0000
125	T	H	-0.1740
126	V	H	0.0000
127	S	H	-0.7374
128	S	H	-0.5937
1	D	L	-2.0353
2	I	L	-1.5857
3	Q	L	-1.7717
4	M	L	0.0000
5	T	L	-0.6872
6	Q	L	0.0000
7	S	L	-0.4429
8	P	L	-0.4178
9	S	L	-0.6497
10	T	L	-0.7654
11	L	L	-0.6489
12	S	L	-0.9414
13	A	L	-1.1111
14	S	L	-0.9426
15	V	L	-0.2194
16	G	L	-0.9479
17	D	L	-1.8749
18	R	L	-2.3574
19	V	L	0.0000
20	T	L	-0.6025
21	I	L	0.0000
22	T	L	-0.3634
23	C	L	0.0000
24	S	L	-0.9282
25	A	L	-1.3163
26	S	L	-1.3928
27	S	L	-1.6580
28	R	L	-2.1310
29	V	L	0.0000
37	G	L	-0.6446
38	Y	L	0.2040
39	M	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.7407
44	Q	L	-1.1262
45	K	L	-1.4193
46	P	L	-1.1137
47	G	L	-1.6483
48	K	L	-2.5531
49	A	L	-1.6215
50	P	L	0.0000
51	K	L	-1.3400
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.1185
56	D	L	-0.0711
57	T	L	-0.2718
65	S	L	-0.5709
66	K	L	-0.9004
67	L	L	-0.0561
68	A	L	0.0000
69	S	L	-0.3976
70	G	L	-0.5133
71	V	L	-0.1852
72	P	L	-0.2791
74	S	L	-0.3898
75	R	L	-0.8070
76	F	L	0.0000
77	S	L	-0.4837
78	G	L	0.0000
79	S	L	-0.6629
80	G	L	-0.6553
83	S	L	-0.8728
84	G	L	-1.1543
85	T	L	-1.2145
86	E	L	-1.2765
87	F	L	0.0000
88	T	L	-0.4371
89	L	L	0.0000
90	T	L	-0.6088
91	I	L	0.0000
92	S	L	-1.4756
93	S	L	-1.3008
94	L	L	0.0000
95	Q	L	-1.0130
96	P	L	-1.1002
97	D	L	-1.5923
98	D	L	0.0000
99	F	L	-0.4547
100	A	L	0.0000
101	T	L	-0.6829
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	F	L	0.0000
106	Q	L	0.0000
107	G	L	0.0000
108	S	L	-0.2003
109	G	L	-0.4065
114	Y	L	0.0175
115	P	L	-0.4464
116	F	L	0.0000
117	T	L	-0.6475
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.1324
121	G	L	-0.8946
122	T	L	0.0000
123	K	L	-1.3055
124	V	L	0.0000
125	E	L	-1.2577
126	I	L	-0.9346
127	K	L	-1.6186