Project name: 7L3N

Chain sequence(s)	H: QVQLVQSGAEVKKPGSSVKVSCKASGGTFSNYAISWVRQAPGQGLEWMGRIIPILGIANYAQKFQGRVTITADKSTSTAYMELSSLRSEDTAVYYCARGYYEARHYYYYYAMDVWGQGTAVTVSS; L: DIQMTQSPSSLSASVGDRVTITCRASQSISSYLSWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTITSLQPEDFATYYCQQSYSTPRTFGQGTKVEIK
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                                          (00:01:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:23)

• Minimal score value: -3.1249
• Maximal score value: 2.4154
• Average score: -0.4677
• Total score value: -108.5038

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	-1.5154
2	V	H	-1.0169
3	Q	H	-1.1558
4	L	H	0.0000
5	V	H	0.2429
6	Q	H	0.0000
7	S	H	-0.5862
8	G	H	-0.6054
9	A	H	0.0292
11	E	H	0.0556
12	V	H	0.9924
13	K	H	-0.8929
14	K	H	-2.1780
15	P	H	-2.0777
16	G	H	-1.6331
17	S	H	-1.2710
18	S	H	-1.4094
19	V	H	0.0000
20	K	H	-2.0049
21	V	H	0.0000
22	S	H	-0.5002
23	C	H	0.0000
24	K	H	-0.6595
25	A	H	0.0000
26	S	H	-0.8276
27	G	H	-1.1840
28	G	H	-0.9922
29	T	H	-0.8899
30	F	H	0.0000
35	S	H	-0.0463
36	N	H	-0.0353
37	Y	H	0.1422
38	A	H	0.0000
39	I	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.5401
45	A	H	-0.9504
46	P	H	-0.9875
47	G	H	-1.2149
48	Q	H	-1.8215
49	G	H	-1.2902
50	L	H	0.0000
51	E	H	-0.5951
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	R	H	0.0218
56	I	H	0.0000
57	I	H	0.0000
58	P	H	0.0000
59	I	H	1.9655
62	L	H	2.4154
63	G	H	1.2999
64	I	H	2.0128
65	A	H	0.7253
66	N	H	-0.1548
67	Y	H	-0.6823
68	A	H	0.0000
69	Q	H	-2.2277
70	K	H	-2.4825
71	F	H	0.0000
72	Q	H	-2.2643
74	G	H	-1.5889
75	R	H	-1.4955
76	V	H	0.0000
77	T	H	-0.8206
78	I	H	0.0000
79	T	H	-0.2127
80	A	H	-0.2808
81	D	H	-1.4289
82	K	H	-1.6637
83	S	H	-1.2641
84	T	H	-1.0137
85	S	H	0.0000
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.4519
89	M	H	0.0000
90	E	H	-1.4288
91	L	H	0.0000
92	S	H	-1.2111
93	S	H	-1.3156
94	L	H	0.0000
95	R	H	-3.1249
96	S	H	-2.3498
97	E	H	-2.4993
98	D	H	0.0000
99	T	H	-0.8278
100	A	H	0.0000
101	V	H	0.2272
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.1600
107	G	H	0.0000
108	Y	H	0.2536
109	Y	H	0.0603
110	E	H	-0.7360
111	A	H	-0.8577
111A	R	H	-1.5514
111B	H	H	-0.1348
112C	Y	H	1.5119
112B	Y	H	2.0230
112A	Y	H	1.5236
112	Y	H	1.7205
113	Y	H	1.2671
114	A	H	0.0000
115	M	H	0.0000
116	D	H	-0.4610
117	V	H	0.0000
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.4757
121	G	H	-0.7399
122	T	H	0.0000
123	A	H	0.1725
124	V	H	0.0000
125	T	H	-0.2385
126	V	H	0.0000
127	S	H	-1.2926
128	S	H	-1.2553
1	D	L	-2.3721
2	I	L	0.0000
3	Q	L	-2.3024
4	M	L	0.0000
5	T	L	-1.3994
6	Q	L	0.0000
7	S	L	-0.7412
8	P	L	-0.7128
9	S	L	-0.9988
10	S	L	-1.3738
11	L	L	-0.9260
12	S	L	-1.0570
13	A	L	0.0000
14	S	L	-0.1582
15	V	L	0.8025
16	G	L	-0.4846
17	D	L	-1.3929
18	R	L	-2.1024
19	V	L	0.0000
20	T	L	-0.5759
21	I	L	0.0000
22	T	L	-0.7765
23	C	L	0.0000
24	R	L	-2.6825
25	A	L	0.0000
26	S	L	-1.9532
27	Q	L	-2.0580
28	S	L	-1.1012
29	I	L	0.0000
36	S	L	-0.3494
37	S	L	-0.0803
38	Y	L	0.8529
39	L	L	0.0000
40	S	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.9688
44	Q	L	0.0000
45	K	L	-1.8204
46	P	L	-1.2506
47	G	L	-1.6250
48	K	L	-2.5940
49	A	L	-1.6446
50	P	L	0.0000
51	K	L	-1.5081
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.6248
56	A	L	0.7184
57	A	L	0.0000
65	S	L	-0.2234
66	S	L	0.2448
67	L	L	0.2520
68	Q	L	-0.3239
69	S	L	-0.4572
70	G	L	-0.5849
71	V	L	0.0000
72	P	L	-0.3966
74	S	L	-0.4162
75	R	L	-0.6785
76	F	L	0.0000
77	S	L	-0.2507
78	G	L	-0.2235
79	S	L	-0.5938
80	G	L	-0.9977
83	S	L	-0.9345
84	G	L	-1.0412
85	T	L	-1.6045
86	D	L	-1.8947
87	F	L	0.0000
88	T	L	-0.6958
89	L	L	0.0000
90	T	L	-0.5548
91	I	L	0.0000
92	T	L	-1.1357
93	S	L	-0.9862
94	L	L	0.0000
95	Q	L	-0.9482
96	P	L	-0.6140
97	E	L	-1.8759
98	D	L	0.0000
99	F	L	-0.7125
100	A	L	0.0000
101	T	L	0.0000
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.0000
107	S	L	0.0000
108	Y	L	0.9387
109	S	L	0.0418
114	T	L	-0.4126
115	P	L	-0.8153
116	R	L	0.0000
117	T	L	-0.7333
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.5684
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-2.2174
124	V	L	0.0000
125	E	L	-1.6255
126	I	L	0.4362
127	K	L	-0.9776