Project name: Emunkitug

Chain sequence(s)	H: QVQLVQSGAELKKPGASVKVSCKASSYSFTDYNMNWVRQAPGQSLEWMGIIFPKYGTTSYAQKLQGRVTLTTDTSTSTAYMELRSLRSDDTAVYYCATDGGTWYFDVWGTGTTVTVSS; L: DIQLTQSPSFLSASVGDRVTITCRASSSVTYMYWYQQKPGKAPKPWIYLTSNLASGVPSRFSGSGSGTEYTLTISSLQPEDAATYYCQQWSSNPPTFGSGTKLEI
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                                          (00:01:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:05)

• Minimal score value: -3.17
• Maximal score value: 1.2719
• Average score: -0.4873
• Total score value: -108.6716

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	-1.2361
2	V	H	-0.6938
3	Q	H	-0.7136
4	L	H	0.0000
5	V	H	0.4698
6	Q	H	-0.0342
7	S	H	-0.5248
8	G	H	-0.5452
9	A	H	-0.1406
11	E	H	-0.2566
12	L	H	0.6610
13	K	H	-1.0623
14	K	H	-2.2303
15	P	H	-2.1771
16	G	H	-1.7193
17	A	H	-1.3950
18	S	H	-1.5540
19	V	H	0.0000
20	K	H	-1.9690
21	V	H	0.0000
22	S	H	-0.5104
23	C	H	0.0000
24	K	H	-0.6361
25	A	H	0.0000
26	S	H	-0.5043
27	S	H	-0.5376
28	Y	H	-0.4218
29	S	H	-0.5774
30	F	H	0.0000
35	T	H	-1.2428
36	D	H	-2.0239
37	Y	H	-0.7173
38	N	H	-0.3407
39	M	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.5624
45	A	H	-0.9815
46	P	H	-0.9955
47	G	H	-1.1937
48	Q	H	-1.6528
49	S	H	-0.9749
50	L	H	0.0000
51	E	H	-0.6442
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	I	H	0.2566
56	I	H	0.0000
57	F	H	-0.0654
58	P	H	0.0000
59	K	H	-1.3757
62	Y	H	0.4230
63	G	H	-0.2048
64	T	H	0.0116
65	T	H	0.1517
66	S	H	-0.2152
67	Y	H	-0.7656
68	A	H	0.0000
69	Q	H	-2.6708
70	K	H	-2.6631
71	L	H	0.0000
72	Q	H	-2.3695
74	G	H	-1.6312
75	R	H	-1.5229
76	V	H	0.0000
77	T	H	-0.6758
78	L	H	0.0000
79	T	H	-0.1197
80	T	H	-0.4290
81	D	H	-0.7007
82	T	H	-0.7489
83	S	H	-0.4332
84	T	H	-0.4837
85	S	H	-0.5440
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.4271
89	M	H	0.0000
90	E	H	-1.2396
91	L	H	0.0000
92	R	H	-1.5937
93	S	H	-1.5166
94	L	H	0.0000
95	R	H	-3.1700
96	S	H	-2.3794
97	D	H	-2.5358
98	D	H	0.0000
99	T	H	-0.9236
100	A	H	0.0000
101	V	H	0.3047
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	T	H	0.0000
107	D	H	0.0000
108	G	H	0.0000
109	G	H	-0.4557
110	T	H	0.3855
113	W	H	1.1934
114	Y	H	0.6234
115	F	H	0.0000
116	D	H	-0.3761
117	V	H	-0.4028
118	W	H	0.0000
119	G	H	0.0000
120	T	H	-0.3536
121	G	H	-0.2867
122	T	H	0.0000
123	T	H	0.0979
124	V	H	0.0000
125	T	H	-0.4251
126	V	H	0.0000
127	S	H	-0.9968
128	S	H	-0.8009
1	D	L	-2.5825
2	I	L	0.0000
3	Q	L	-1.9431
4	L	L	0.0000
5	T	L	-0.9632
6	Q	L	0.0000
7	S	L	-0.0520
8	P	L	0.2787
9	S	L	0.4414
10	F	L	1.2719
11	L	L	0.6157
12	S	L	0.0845
13	A	L	-0.2380
14	S	L	0.0405
15	V	L	0.9060
16	G	L	-0.5217
17	D	L	-1.4388
18	R	L	-2.2375
19	V	L	0.0000
20	T	L	-0.5998
21	I	L	0.0000
22	T	L	-0.6111
23	C	L	0.0000
24	R	L	-1.7644
25	A	L	0.0000
26	S	L	-1.3345
27	S	L	-1.0574
28	S	L	-0.6338
29	V	L	0.0000
37	T	L	0.3589
38	Y	L	1.1779
39	M	L	0.0000
40	Y	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-1.2882
45	K	L	-1.5509
46	P	L	-1.2773
47	G	L	-1.5113
48	K	L	-2.3557
49	A	L	-1.3169
50	P	L	0.0000
51	K	L	-1.4894
52	P	L	-0.5667
53	W	L	0.0000
54	I	L	0.0000
55	Y	L	0.5985
56	L	L	0.8448
57	T	L	0.2135
65	S	L	-0.2291
66	N	L	-0.4188
67	L	L	-0.0460
68	A	L	0.0000
69	S	L	-0.4709
70	G	L	-0.5447
71	V	L	0.0000
72	P	L	-0.3668
74	S	L	-0.4120
75	R	L	-0.7063
76	F	L	0.0000
77	S	L	-0.4582
78	G	L	-0.3347
79	S	L	-0.6737
80	G	L	-0.9165
83	S	L	-0.7204
84	G	L	-0.8065
85	T	L	-1.2605
86	E	L	-1.8507
87	Y	L	0.0000
88	T	L	-0.6419
89	L	L	0.0000
90	T	L	-0.5858
91	I	L	0.0000
92	S	L	-1.2647
93	S	L	-1.0223
94	L	L	0.0000
95	Q	L	-0.5620
96	P	L	-0.8994
97	E	L	-1.9010
98	D	L	0.0000
99	A	L	-1.2384
100	A	L	0.0000
101	T	L	-0.5828
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	W	L	0.1674
108	S	L	-0.1550
109	S	L	-1.1412
114	N	L	-1.7202
115	P	L	-1.4650
116	P	L	0.0000
117	T	L	-0.9535
118	F	L	0.0000
119	G	L	0.0000
120	S	L	-0.7679
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.6214
124	L	L	0.0000
125	E	L	-1.2474
126	I	L	0.3419