Project name: 4KAQ

Chain sequence(s)	H: QVQLQQPGAELVKPGASVKMSCKASGYTFTSYNMHWVKQTPGRGLEWIGAIYPGNGDTSYNQKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYYCARSTYYGGDWYFNVWGAGTTVTVSA; L: QIVLSQSPAILSASPGEKVTMTCRASSSVSYIHWFQQKPGSSPKPWIYATSNLASGVPVRFSGSGSGTSYSLTISRVEAEDAATYYCQQWTSNPPTFGGGTKLEIK
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                                          (00:01:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -3.1792
• Maximal score value: 2.0598
• Average score: -0.4819
• Total score value: -109.3985

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	-1.2430
2	V	H	-0.5193
3	Q	H	-1.0186
4	L	H	0.0000
5	Q	H	-1.4032
6	Q	H	-0.9512
7	P	H	-0.7309
8	G	H	-0.6510
9	A	H	-0.0645
11	E	H	0.1039
12	L	H	0.9708
13	V	H	0.0000
14	K	H	-1.5427
15	P	H	-1.1171
16	G	H	-1.1024
17	A	H	-0.8646
18	S	H	-0.8891
19	V	H	-0.6272
20	K	H	-1.2363
21	M	H	0.0000
22	S	H	-0.6726
23	C	H	0.0000
24	K	H	-1.3905
25	A	H	0.0000
26	S	H	-0.8438
27	G	H	-0.7501
28	Y	H	-0.1987
29	T	H	-0.1558
30	F	H	0.0000
35	T	H	-0.6047
36	S	H	-0.1845
37	Y	H	0.3802
38	N	H	-0.3212
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	-0.3261
45	T	H	0.0000
46	P	H	-0.6741
47	G	H	-1.1961
48	R	H	-1.1479
49	G	H	-0.8160
50	L	H	0.0000
51	E	H	-0.6103
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	A	H	0.0000
56	I	H	0.0000
57	Y	H	-0.6495
58	P	H	0.0000
59	G	H	-1.2265
62	N	H	-1.9918
63	G	H	-1.8563
64	D	H	-2.2311
65	T	H	-1.0714
66	S	H	-0.9517
67	Y	H	-1.2413
68	N	H	-2.0430
69	Q	H	-2.8499
70	K	H	-2.9069
71	F	H	0.0000
72	K	H	-2.8932
74	G	H	-1.9348
75	K	H	-1.5942
76	A	H	0.0000
77	T	H	-0.7627
78	L	H	0.0000
79	T	H	-0.5751
80	A	H	-0.7588
81	D	H	-1.2862
82	K	H	-1.7269
83	S	H	-0.9735
84	S	H	-0.8664
85	S	H	-0.9844
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.3481
89	M	H	0.0000
90	Q	H	-0.9380
91	L	H	0.0000
92	S	H	-0.7757
93	S	H	-0.8281
94	L	H	0.0000
95	T	H	-1.1986
96	S	H	-1.1753
97	E	H	-1.9898
98	D	H	0.0000
99	S	H	-0.5034
100	A	H	0.0000
101	V	H	0.2334
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	S	H	0.0000
108	T	H	0.0000
109	Y	H	2.0598
110	Y	H	1.7984
111	G	H	0.3347
112A	G	H	0.3250
112	D	H	0.0000
113	W	H	1.4328
114	Y	H	0.8925
115	F	H	0.0000
116	N	H	-0.0002
117	V	H	-0.0864
118	W	H	0.0000
119	G	H	0.0000
120	A	H	-0.3461
121	G	H	0.0000
122	T	H	0.0000
123	T	H	0.1164
124	V	H	0.0000
125	T	H	0.1986
126	V	H	-0.4936
127	S	H	-0.3809
128	A	H	-0.4664
1	Q	L	-1.0602
2	I	L	0.1383
3	V	L	1.0914
4	L	L	0.0000
5	S	L	-0.5910
6	Q	L	-0.5156
7	S	L	-0.4145
8	P	L	0.1822
9	A	L	0.4067
10	I	L	1.2140
11	L	L	0.5100
12	S	L	-0.3487
13	A	L	0.0000
14	S	L	-1.7432
15	P	L	-1.8674
16	G	L	-2.1654
17	E	L	-2.7394
18	K	L	-2.9415
19	V	L	0.0000
20	T	L	-0.5310
21	M	L	0.0000
22	T	L	-0.6472
23	C	L	0.0000
24	R	L	-1.7764
25	A	L	0.0000
26	S	L	-0.2713
27	S	L	-0.4362
28	S	L	-0.6500
29	V	L	0.0000
37	S	L	-0.2072
38	Y	L	0.1873
39	I	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	F	L	0.0000
43	Q	L	0.0000
44	Q	L	-0.8673
45	K	L	-1.2184
46	P	L	-0.7655
47	G	L	-0.7162
48	S	L	-0.7232
49	S	L	-0.4882
50	P	L	0.0000
51	K	L	-1.1339
52	P	L	-0.5068
53	W	L	0.0000
54	I	L	0.0000
55	Y	L	0.1576
56	A	L	0.0892
57	T	L	-0.2743
65	S	L	-0.5018
66	N	L	-0.7215
67	L	L	0.1908
68	A	L	-0.3728
69	S	L	-0.4730
70	G	L	-0.2857
71	V	L	0.0000
72	P	L	0.5789
74	V	L	1.3490
75	R	L	-0.4685
76	F	L	0.0000
77	S	L	-0.1163
78	G	L	-0.4444
79	S	L	-0.5787
80	G	L	-0.8114
83	S	L	-0.7198
84	G	L	-0.7235
85	T	L	-0.9644
86	S	L	-1.1007
87	Y	L	0.0000
88	S	L	-0.5753
89	L	L	0.0000
90	T	L	-0.8015
91	I	L	0.0000
92	S	L	-1.9475
93	R	L	-3.1792
94	V	L	0.0000
95	E	L	-2.5838
96	A	L	-1.6800
97	E	L	-2.2037
98	D	L	0.0000
99	A	L	-1.0710
100	A	L	0.0000
101	T	L	-0.4694
102	Y	L	0.0000
103	Y	L	-0.1735
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.0000
107	W	L	0.0412
108	T	L	-0.2432
109	S	L	-0.8640
114	N	L	-1.6954
115	P	L	-1.4774
116	P	L	0.0000
117	T	L	-0.0571
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.6385
121	G	L	-0.3381
122	T	L	0.0000
123	K	L	-0.5411
124	L	L	0.0000
125	E	L	-0.5016
126	I	L	-1.0237
127	K	L	-1.6744