Project name: 24.D2F8

Chain sequence(s)	H: QVQLQQPGAELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGRGPEWIGRIDPNSGDTKYNGKFKSKATLTADKSSSTAYMQLRSLTSEDSAVYYCARPDYWGQGTTLTVSS; L: DIQMTQSPSSLSASLGKRVSLTCRASQEISGHLSWLQQKPDGTIKRLINAAIILDSGVPKRFSGSRSGSDYSLTISSLESEDFADYYCLQYASYPWTFGGGTKLEIK
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                                          (00:01:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:46)

• Minimal score value: -2.8625
• Maximal score value: 2.5826
• Average score: -0.665
• Total score value: -145.64

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	-1.4501
2	V	H	-0.8947
3	Q	H	-1.5329
4	L	H	0.0000
5	Q	H	-1.9371
6	Q	H	-1.3914
7	P	H	-1.0436
8	G	H	-1.0238
9	A	H	-0.1961
11	E	H	-0.3075
12	L	H	0.8422
13	V	H	-0.2776
14	K	H	-1.6734
15	P	H	-1.5040
16	G	H	-1.3266
17	A	H	-1.1224
18	S	H	-1.4806
19	V	H	0.0000
20	K	H	-2.0671
21	L	H	0.0000
22	S	H	-0.8712
23	C	H	0.0000
24	K	H	-1.5029
25	A	H	0.0000
26	S	H	-1.0645
27	G	H	-0.9399
28	Y	H	-0.3169
29	T	H	-0.1991
30	F	H	0.0000
35	T	H	-0.9191
36	S	H	-0.1953
37	Y	H	0.2800
38	W	H	-0.0635
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	0.0000
44	Q	H	-0.8879
45	R	H	-1.4431
46	P	H	-1.1503
47	G	H	-1.6354
48	R	H	-2.5142
49	G	H	-1.5524
50	P	H	0.0000
51	E	H	-1.3601
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	R	H	-0.6361
56	I	H	0.0000
57	D	H	-1.1449
58	P	H	0.0000
59	N	H	-2.0130
62	S	H	-1.3840
63	G	H	-1.7277
64	D	H	-1.6143
65	T	H	-1.0481
66	K	H	-1.2283
67	Y	H	-0.9389
68	N	H	0.0000
69	G	H	-1.9263
70	K	H	-2.5214
71	F	H	0.0000
72	K	H	-2.5487
74	S	H	-1.6969
75	K	H	-1.6366
76	A	H	0.0000
77	T	H	-1.0093
78	L	H	0.0000
79	T	H	-0.5774
80	A	H	-1.1629
81	D	H	-1.6727
82	K	H	-2.2470
83	S	H	-1.1791
84	S	H	-0.9832
85	S	H	-1.1274
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.5457
89	M	H	0.0000
90	Q	H	-1.4190
91	L	H	0.0000
92	R	H	-1.8093
93	S	H	-1.2994
94	L	H	0.0000
95	T	H	-1.4097
96	S	H	-1.4640
97	E	H	-1.9886
98	D	H	0.0000
99	S	H	-0.6027
100	A	H	0.0000
101	V	H	-0.0557
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	P	H	0.0358
116	D	H	-0.1485
117	Y	H	0.3568
118	W	H	-0.1908
119	G	H	0.0000
120	Q	H	-1.7034
121	G	H	0.0000
122	T	H	0.0000
123	T	H	-0.1771
124	L	H	0.0000
125	T	H	-0.1578
126	V	H	0.0000
127	S	H	-0.6305
128	S	H	-0.8079
1	D	L	-1.9428
2	I	L	-1.6525
3	Q	L	-2.1507
4	M	L	0.0000
5	T	L	-1.2977
6	Q	L	-1.0744
7	S	L	-0.7572
8	P	L	-0.6239
9	S	L	-0.8850
10	S	L	-1.0353
11	L	L	-0.4765
12	S	L	-0.4780
13	A	L	0.0000
14	S	L	-0.4347
15	L	L	0.3315
16	G	L	-1.2731
17	K	L	-2.5019
18	R	L	-2.6984
19	V	L	0.0000
20	S	L	-0.6614
21	L	L	0.0000
22	T	L	-0.8595
23	C	L	0.0000
24	R	L	-2.8625
25	A	L	0.0000
26	S	L	-2.2344
27	Q	L	-2.8330
28	E	L	-2.8447
29	I	L	0.0000
36	S	L	-1.2872
37	G	L	-0.7136
38	H	L	-1.0269
39	L	L	0.0000
40	S	L	0.0000
41	W	L	0.0000
42	L	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.5830
46	P	L	-1.4023
47	D	L	-2.2630
48	G	L	-1.4957
49	T	L	-1.2420
50	I	L	-0.7525
51	K	L	-0.8180
52	R	L	-0.6217
53	L	L	0.0000
54	I	L	0.0000
55	N	L	0.5750
56	A	L	0.6524
57	A	L	0.0000
65	I	L	2.2898
66	I	L	2.5826
67	L	L	0.8697
68	D	L	-0.2599
69	S	L	-0.3763
70	G	L	-0.8651
71	V	L	0.0000
72	P	L	-1.1691
74	K	L	-1.9697
75	R	L	-1.5352
76	F	L	0.0000
77	S	L	0.1209
78	G	L	0.7231
79	S	L	-0.0803
80	R	L	-1.3128
83	S	L	-1.2698
84	G	L	-1.4352
85	S	L	-1.9711
86	D	L	-1.6978
87	Y	L	0.0000
88	S	L	-0.6156
89	L	L	0.0000
90	T	L	-0.6491
91	I	L	0.0000
92	S	L	-1.7286
93	S	L	-1.5114
94	L	L	0.0000
95	E	L	-1.3547
96	S	L	-0.7255
97	E	L	-1.8651
98	D	L	0.0000
99	F	L	-0.5343
100	A	L	0.0000
101	D	L	-1.1784
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	L	L	0.0000
106	Q	L	0.0000
107	Y	L	0.2753
108	A	L	-0.2731
109	S	L	0.2479
114	Y	L	0.8245
115	P	L	-0.0703
116	W	L	0.1769
117	T	L	-0.3767
118	F	L	-0.2484
119	G	L	0.0000
120	G	L	-1.2448
121	G	L	-1.1524
122	T	L	0.0000
123	K	L	-1.8615
124	L	L	0.0000
125	E	L	-0.7530
126	I	L	1.0433
127	K	L	-0.7200