Project name: 765fed9b69e0037

Chain sequence(s)	K: DVQITQSPSYLAASPGETITINCRASKSISKYLAWYQEKPGKTNELLIYSGSTLQSGIPSRFRGSGSGTDFTLTISSLEPEDFAMYYCQQHNEYTLTFGGGTK; L: DVQLQESGPGLVKPSQSLSLTCTVSGYSITSDYAWNWIRQFPGNKLEWMGYISYTLTTGYNPSLKSRISITRDSSKNQFFLQLNSVTTEDTATYYCARSGWLLPYWYFDVWGAGTTVTVSS
Selected Chain(s)	L,K
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                                          (00:01:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:42)

• Minimal score value: -3.0958
• Maximal score value: 1.8476
• Average score: -0.5687
• Total score value: -127.3922

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	D	L	-2.1083
2	V	L	-1.3865
3	Q	L	-1.9230
4	L	L	0.0000
5	Q	L	-1.5747
6	E	L	0.0000
7	S	L	-0.6803
8	G	L	-0.3402
9	P	L	-0.0097
11	G	L	0.2660
12	L	L	0.9779
13	V	L	-0.3798
14	K	L	-1.8211
15	P	L	-1.7164
16	S	L	-1.6133
17	Q	L	-2.2635
18	S	L	-1.9734
19	L	L	0.0000
20	S	L	-0.6032
21	L	L	0.0000
22	T	L	-0.3642
23	C	L	0.0000
24	T	L	-1.1188
25	V	L	0.0000
26	S	L	-1.4049
27	G	L	-1.2462
28	Y	L	-0.6765
29	S	L	-0.5033
30	I	L	0.0000
31	T	L	-0.1140
35	S	L	-0.3358
36	D	L	-0.2522
37	Y	L	0.6641
38	A	L	0.0000
39	W	L	0.0000
40	N	L	0.0000
41	W	L	0.0000
42	I	L	0.0000
43	R	L	0.0000
44	Q	L	-0.9077
45	F	L	-1.0454
46	P	L	-1.0909
47	G	L	-1.3475
48	N	L	-1.6516
49	K	L	-2.1900
50	L	L	-1.0831
51	E	L	-0.6283
52	W	L	0.0000
53	M	L	0.0000
54	G	L	0.0000
55	Y	L	0.2965
56	I	L	0.0000
57	S	L	0.0000
58	Y	L	0.6908
59	T	L	0.9017
63	L	L	1.5490
64	T	L	0.8100
65	T	L	0.3996
66	G	L	-0.2046
67	Y	L	-0.4355
68	N	L	0.0000
69	P	L	-0.9441
70	S	L	-0.8977
71	L	L	0.0000
72	K	L	-2.0357
74	S	L	-1.4557
75	R	L	-1.6142
76	I	L	0.0000
77	S	L	-0.7944
78	I	L	0.0256
79	T	L	-0.0311
80	R	L	-0.5868
81	D	L	-1.5592
82	S	L	-1.4108
83	S	L	-1.4595
84	K	L	-2.3451
85	N	L	-1.6296
86	Q	L	-1.2521
87	F	L	0.0000
88	F	L	-0.0054
89	L	L	0.0000
90	Q	L	-1.1627
91	L	L	0.0000
92	N	L	-2.2168
93	S	L	-1.4512
94	V	L	0.0000
95	T	L	-1.3460
96	T	L	-1.3041
97	E	L	-1.9054
98	D	L	0.0000
99	T	L	-0.5002
100	A	L	0.0000
101	T	L	-0.1266
102	Y	L	0.0000
103	Y	L	-0.0769
104	C	L	0.0000
105	A	L	0.0000
106	R	L	-0.0266
107	S	L	0.0000
108	G	L	0.9971
109	W	L	1.5943
110	L	L	1.8476
111	L	L	1.3236
112A	P	L	0.9399
112	Y	L	1.3973
113	W	L	0.0000
114	Y	L	0.6731
115	F	L	0.0000
116	D	L	-0.8824
117	V	L	-0.6945
118	W	L	0.0000
119	G	L	0.0000
120	A	L	-0.9580
121	G	L	-0.6048
122	T	L	-0.3655
123	T	L	-0.0231
124	V	L	0.0000
125	T	L	-0.1778
126	V	L	0.0000
127	S	L	-0.7304
128	S	L	-0.5412
1	D	K	-2.2237
2	V	K	0.0000
3	Q	K	-2.1075
4	I	K	-1.6080
5	T	K	-1.3723
6	Q	K	0.0000
7	S	K	-0.6990
8	P	K	-0.1859
9	S	K	-0.0774
10	Y	K	0.7530
11	L	K	0.4625
12	A	K	0.3236
13	A	K	-0.4434
14	S	K	-0.8730
15	P	K	-1.6675
16	G	K	-1.8391
17	E	K	-2.2894
18	T	K	-1.0893
19	I	K	-0.1185
20	T	K	-0.2376
21	I	K	0.0000
22	N	K	-1.5976
23	C	K	0.0000
24	R	K	-3.0958
25	A	K	0.0000
26	S	K	-1.9756
27	K	K	-1.9925
28	S	K	-1.4633
29	I	K	0.0000
36	S	K	-1.1651
37	K	K	-1.5867
38	Y	K	-0.4954
39	L	K	0.0000
40	A	K	0.0000
41	W	K	0.0000
42	Y	K	0.0000
43	Q	K	0.0000
44	E	K	-0.9815
45	K	K	-1.4038
46	P	K	-1.0906
47	G	K	-1.5649
48	K	K	-2.4002
49	T	K	-1.7296
50	N	K	0.0000
51	E	K	-2.0197
52	L	K	0.0000
53	L	K	0.0000
54	I	K	0.0000
55	Y	K	0.3466
56	S	K	0.0314
57	G	K	-0.5252
65	S	K	-0.7523
66	T	K	-0.2068
67	L	K	-0.1589
68	Q	K	-0.3861
69	S	K	-0.3673
70	G	K	-0.5055
71	I	K	-0.4252
72	P	K	-0.6479
74	S	K	-0.8876
75	R	K	-1.2748
76	F	K	0.0000
77	R	K	-2.0382
78	G	K	0.0000
79	S	K	-1.2205
80	G	K	-1.5009
83	S	K	-1.4073
84	G	K	-1.5804
85	T	K	-2.1290
86	D	K	-2.9877
87	F	K	0.0000
88	T	K	-1.2919
89	L	K	0.0000
90	T	K	0.0000
91	I	K	0.0000
92	S	K	-1.3782
93	S	K	-1.4591
94	L	K	0.0000
95	E	K	-1.8908
96	P	K	-1.4407
97	E	K	-1.9514
98	D	K	-0.8396
99	F	K	0.1716
100	A	K	-0.2362
101	M	K	-0.2263
102	Y	K	0.0000
103	Y	K	0.0000
104	C	K	0.0000
105	Q	K	0.0000
106	Q	K	0.0000
107	H	K	0.0000
108	N	K	-0.3014
109	E	K	-0.5988
114	Y	K	0.0179
115	T	K	-0.4811
116	L	K	0.0000
117	T	K	-0.7312
118	F	K	0.0000
119	G	K	-1.0293
120	G	K	-0.8171
121	G	K	-0.8513
122	T	K	0.0000
123	K	K	-0.8235