Project name: dcb881fd80b7055

Chain sequence(s)	Q: VLTQPPSVSGAPGQRVTISCSGSSSNIGGYHVQWYQQLPGTAPKLLIYESNKRPSGISDRFSASQFGTSASLTITGLQSEDEADYYCQSYDSSVSAQVFGGGTRLT; O: VQLQESGPGLVKPSETLSLTCAVSGASFSSFWWDWIRQPPGRGLEWIGDINGNSGSTNYNPSLKSRVTISKDASKSQFSLKLTSVTAADTAVYYCALQSVTYYEDDSGHYETEMAKFWGQGVLVTV
Selected Chain(s)	O,Q
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                                          (00:01:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:45)

• Minimal score value: -2.7221
• Maximal score value: 1.7202
• Average score: -0.5645
• Total score value: -130.9726

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
2	V	O	-0.1276
3	Q	O	-1.2436
4	L	O	-1.0503
5	Q	O	-1.6229
6	E	O	0.0000
7	S	O	-0.5687
8	G	O	-0.3461
9	P	O	0.0374
11	G	O	0.4019
12	L	O	1.1135
13	V	O	0.0000
14	K	O	-1.9011
15	P	O	-1.4138
16	S	O	-1.5109
17	E	O	-2.2098
18	T	O	-1.6479
19	L	O	0.0000
20	S	O	-1.2491
21	L	O	0.0000
22	T	O	-0.8313
23	C	O	0.0000
24	A	O	-0.9525
25	V	O	-0.8103
26	S	O	-0.9627
27	G	O	-0.6196
28	A	O	0.0000
29	S	O	-0.2892
30	F	O	0.0000
35	S	O	-0.6012
36	S	O	0.0664
37	F	O	0.1624
38	W	O	0.0000
39	W	O	0.0000
40	D	O	0.0000
41	W	O	0.0000
42	I	O	0.0000
43	R	O	0.0000
44	Q	O	0.0000
45	P	O	-0.8283
46	P	O	-1.0003
47	G	O	-1.6192
48	R	O	-2.3888
49	G	O	-1.5135
50	L	O	0.0000
51	E	O	-0.8259
52	W	O	0.0000
53	I	O	0.0000
54	G	O	0.0000
55	D	O	0.0000
56	I	O	0.0000
57	N	O	0.0000
58	G	O	0.0000
59	N	O	-1.2780
62	S	O	-0.9808
63	G	O	-1.1827
64	S	O	-0.9110
65	T	O	-0.4108
66	N	O	-0.7441
67	Y	O	-0.7699
68	N	O	-0.7281
69	P	O	-0.7408
70	S	O	-0.6969
71	L	O	-1.0832
72	K	O	-2.0376
74	S	O	-1.3424
75	R	O	-1.5114
76	V	O	0.0000
77	T	O	-1.1795
78	I	O	0.0000
79	S	O	-1.1017
80	K	O	-1.7801
81	D	O	-2.2811
82	A	O	-1.6997
83	S	O	-1.6588
84	K	O	-2.2627
85	S	O	-1.6074
86	Q	O	-1.6384
87	F	O	0.0000
88	S	O	-1.0852
89	L	O	0.0000
90	K	O	-1.9605
91	L	O	0.0000
92	T	O	-1.2349
93	S	O	-1.1350
94	V	O	0.0000
95	T	O	-0.7266
96	A	O	-0.2630
97	A	O	-0.1637
98	D	O	-0.5131
99	T	O	0.1992
100	A	O	0.0000
101	V	O	0.7256
102	Y	O	0.0000
103	Y	O	0.0000
104	C	O	0.0000
105	A	O	0.0000
106	L	O	0.0000
107	Q	O	-0.2157
108	S	O	0.0000
109	V	O	0.3118
110	T	O	0.0000
111	Y	O	0.2624
111A	Y	O	-0.0087
111B	E	O	-1.5400
111C	D	O	-1.5198
111D	D	O	-2.0542
112E	S	O	-1.0973
112D	G	O	-0.7256
112C	H	O	-0.4207
112B	Y	O	0.0331
112A	E	O	-1.0075
112	T	O	-0.8880
113	E	O	-1.2017
114	M	O	-0.1014
115	A	O	0.0000
116	K	O	-0.8430
117	F	O	-0.3347
118	W	O	-0.6933
119	G	O	0.0000
120	Q	O	-1.5716
121	G	O	0.0000
122	V	O	0.5065
123	L	O	1.7202
124	V	O	0.0000
125	T	O	0.6798
126	V	O	-0.1098
3	V	Q	1.7153
4	L	Q	0.0000
5	T	Q	0.1175
6	Q	Q	-0.2764
7	P	Q	-0.6386
8	P	Q	-0.8132
9	S	Q	-0.9885
11	V	Q	-0.6262
12	S	Q	-0.5851
13	G	Q	-1.1858
14	A	Q	-1.1978
15	P	Q	-1.4217
16	G	Q	-1.7372
17	Q	Q	-2.4731
18	R	Q	-2.7221
19	V	Q	0.0000
20	T	Q	-0.6818
21	I	Q	0.0000
22	S	Q	-0.2817
23	C	Q	0.0000
24	S	Q	0.0468
25	G	Q	0.0049
26	S	Q	-0.3780
27	S	Q	-0.6987
28	S	Q	-0.3325
29	N	Q	0.0000
30	I	Q	0.0000
35	G	Q	-0.5115
36	G	Q	-0.5501
37	Y	Q	0.0763
38	H	Q	-0.7089
39	V	Q	0.0000
40	Q	Q	-0.7599
41	W	Q	0.0000
42	Y	Q	0.0000
43	Q	Q	0.0000
44	Q	Q	0.0000
45	L	Q	-0.1472
46	P	Q	-0.3069
47	G	Q	-0.6583
48	T	Q	-0.6179
49	A	Q	-0.7008
50	P	Q	0.0000
51	K	Q	-1.4635
52	L	Q	0.0000
53	L	Q	0.0000
54	I	Q	0.0000
55	Y	Q	0.0000
56	E	Q	-1.8586
57	S	Q	-1.2916
65	N	Q	-2.3932
66	K	Q	-2.5479
67	R	Q	-2.2676
68	P	Q	0.0000
69	S	Q	-0.9886
70	G	Q	-0.8977
71	I	Q	-0.8749
72	S	Q	-1.2659
74	D	Q	-2.2351
75	R	Q	-1.7057
76	F	Q	0.0000
77	S	Q	-1.2225
78	A	Q	-0.9540
79	S	Q	-0.5045
80	Q	Q	0.0867
83	F	Q	1.4304
84	G	Q	0.1391
85	T	Q	-0.1625
86	S	Q	0.0637
87	A	Q	0.0000
88	S	Q	0.0007
89	L	Q	0.0000
90	T	Q	-0.6489
91	I	Q	0.0000
92	T	Q	-1.7788
93	G	Q	-1.7509
94	L	Q	0.0000
95	Q	Q	-1.8758
96	S	Q	-1.7863
97	E	Q	-2.4931
98	D	Q	0.0000
99	E	Q	-2.1769
100	A	Q	0.0000
101	D	Q	-1.1276
102	Y	Q	0.0000
103	Y	Q	0.0000
104	C	Q	0.0000
105	Q	Q	0.0000
106	S	Q	0.0000
107	Y	Q	0.4665
108	D	Q	0.0000
109	S	Q	-0.0236
110	S	Q	-0.0259
113	V	Q	0.6157
114	S	Q	-0.0079
115	A	Q	0.0000
116	Q	Q	0.0736
117	V	Q	0.5438
118	F	Q	0.0000
119	G	Q	0.0000
120	G	Q	-0.7486
121	G	Q	-1.1628
122	T	Q	0.0000
123	R	Q	-2.1638
124	L	Q	0.0000
125	T	Q	-0.9925