Project name: cd7b04247ee986f

Chain sequence(s)	H: GQIQLVQSGPELKKPGETVKISCKASGYAFTNYGVNWVKEAPGKELKWMGWINIYTGEPTYVDDFKGRFAFSLETSASTAYLEINNLKNEDTATYFCTRGDYVNWYFDVWGAGTTVTVS; L: GDVVMTQIPLSLPVSLGEQASISCRSSQSLIHSNGNTYLHWYLQKPGQSPKLLMYKVSNRFYGVPDRFSGSGSGTDFTLKISRVEAEDLGIYFCSQSSHVPPTFGGGTKLEIK
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]                                                (00:00:01)
[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 all 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                                          (00:04:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:30)

• Minimal score value: -3.2799
• Maximal score value: 2.3017
• Average score: -0.5873
• Total score value: -136.2602

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
3	G	H	-1.0577
4	Q	H	-1.3090
5	I	H	-0.2865
6	Q	H	-0.5307
7	L	H	0.2293
8	V	H	1.1209
9	Q	H	0.2947
10	S	H	-0.5650
11	G	H	-0.6722
12	P	H	-0.5220
13	E	H	-0.4019
14	L	H	0.6615
15	K	H	-1.0358
16	K	H	-2.4233
17	P	H	-2.4488
18	G	H	-2.2273
19	E	H	-2.0331
20	T	H	-1.8410
21	V	H	0.0000
22	K	H	-2.1390
23	I	H	0.0000
24	S	H	-0.5315
25	C	H	0.0000
26	K	H	-0.6437
27	A	H	-0.1955
28	S	H	-0.4643
29	G	H	-0.6169
30	Y	H	-0.1350
31	A	H	-0.1382
32	F	H	-0.1309
33	T	H	-0.1761
34	N	H	-0.7494
35	Y	H	0.1469
36	G	H	0.0000
37	V	H	0.0000
38	N	H	0.0000
39	W	H	0.0000
40	V	H	0.0000
41	K	H	-1.1609
42	E	H	-1.7591
43	A	H	-1.8626
44	P	H	-1.4260
45	G	H	-1.9166
46	K	H	-3.2166
47	E	H	-3.2799
48	L	H	0.0000
49	K	H	-1.6061
50	W	H	-0.4773
51	M	H	0.0000
52	G	H	0.0000
53	W	H	0.0377
54	I	H	0.0000
55	N	H	-0.3839
56	I	H	0.0000
57	Y	H	0.7399
58	T	H	-0.1433
59	G	H	-0.8490
60	E	H	-1.7815
61	P	H	-0.9657
62	T	H	-0.6905
63	Y	H	-0.8448
64	V	H	-1.3098
65	D	H	-3.0500
66	D	H	-3.0905
67	F	H	0.0000
68	K	H	-2.9765
69	G	H	-1.9938
70	R	H	-1.7182
71	F	H	0.0000
72	A	H	-0.9645
73	F	H	0.0000
74	S	H	-0.5471
75	L	H	-0.4697
76	E	H	-1.0145
77	T	H	-0.4222
78	S	H	-0.4689
79	A	H	-0.5389
80	S	H	-0.6010
81	T	H	0.0000
82	A	H	0.0000
83	Y	H	-0.6623
84	L	H	0.0000
85	E	H	-1.6287
86	I	H	0.0000
87	N	H	-2.0702
88	N	H	-2.3998
89	L	H	0.0000
90	K	H	-2.9689
91	N	H	-2.9753
92	E	H	-2.7308
93	D	H	0.0000
94	T	H	-1.1149
95	A	H	0.0000
96	T	H	-0.3710
97	Y	H	0.0000
98	F	H	0.0000
99	C	H	0.0000
100	T	H	0.0000
101	R	H	-0.0681
102	G	H	0.0000
103	D	H	0.7268
104	Y	H	1.7807
105	V	H	2.3017
106	N	H	1.0066
107	W	H	1.0701
108	Y	H	0.0000
109	F	H	-0.0735
110	D	H	-0.3297
111	V	H	-0.1367
112	W	H	-0.1604
113	G	H	0.0000
114	A	H	-0.0671
115	G	H	-0.2335
116	T	H	0.0000
117	T	H	-0.2855
118	V	H	0.0000
119	T	H	-0.5689
120	V	H	0.0000
121	S	H	-1.2491
3	G	L	-0.9070
4	D	L	-1.5333
5	V	L	0.0000
6	V	L	0.6846
7	M	L	0.0000
8	T	L	0.0907
9	Q	L	0.0000
10	I	L	1.5347
11	P	L	1.4183
12	L	L	1.7078
13	S	L	0.4049
14	L	L	0.0725
15	P	L	-0.7309
16	V	L	0.0000
17	S	L	-0.7421
18	L	L	-0.4049
19	G	L	-1.5997
20	E	L	-2.3362
21	Q	L	-2.5249
22	A	L	0.0000
23	S	L	-0.6282
24	I	L	0.0000
25	S	L	-0.4255
26	C	L	0.0000
27	R	L	-1.9981
28	S	L	0.0000
29	S	L	-0.8203
30	Q	L	-1.1627
31	S	L	-0.7527
32	L	L	0.0000
33	I	L	0.4612
34	H	L	-0.6060
35	S	L	-0.8977
36	N	L	-1.6624
37	G	L	-1.2438
38	N	L	-1.1309
39	T	L	-0.3457
40	Y	L	0.0000
41	L	L	0.0000
42	H	L	0.0000
43	W	L	0.0000
44	Y	L	0.0000
45	L	L	0.0000
46	Q	L	-1.0844
47	K	L	-1.6059
48	P	L	-1.0642
49	G	L	-1.3632
50	Q	L	-1.9227
51	S	L	-1.2151
52	P	L	0.0000
53	K	L	-1.6295
54	L	L	0.0000
55	L	L	0.0000
56	M	L	0.0000
57	Y	L	0.0000
58	K	L	-0.8984
59	V	L	-0.7401
60	S	L	-1.0719
61	N	L	-1.4805
62	R	L	-1.5020
63	F	L	-0.0391
64	Y	L	0.8518
65	G	L	-0.1664
66	V	L	0.0000
67	P	L	-1.1720
68	D	L	-2.2787
69	R	L	-2.0256
70	F	L	0.0000
71	S	L	-1.2522
72	G	L	-0.9145
73	S	L	-0.8887
74	G	L	-1.0467
75	S	L	-0.7580
76	G	L	-0.7344
77	T	L	-1.3844
78	D	L	-2.0898
79	F	L	0.0000
80	T	L	-0.8050
81	L	L	0.0000
82	K	L	-1.5345
83	I	L	0.0000
84	S	L	-2.4622
85	R	L	-3.0076
86	V	L	0.0000
87	E	L	-1.7713
88	A	L	-0.9535
89	E	L	-2.0557
90	D	L	0.0000
91	L	L	-0.6426
92	G	L	0.0000
93	I	L	0.0375
94	Y	L	0.0000
95	F	L	0.0000
96	C	L	0.0000
97	S	L	0.0000
98	Q	L	0.0000
99	S	L	0.0257
100	S	L	-0.0020
101	H	L	-0.3534
102	V	L	0.8885
103	P	L	0.2453
104	P	L	-0.1024
105	T	L	-0.3432
106	F	L	0.0000
107	G	L	0.0000
108	G	L	-0.7673
109	G	L	-0.2493
110	T	L	0.0000
111	K	L	-0.5456
112	L	L	0.0000
113	E	L	-0.8491
114	I	L	0.4232
115	K	L	-1.0990