Project name: Becotatug

Chain sequence(s)	H: QVQLQESGPGLVKPSETLSLTCTVSGFSLSNYDVHWVRQAPGKGLEWLGVIWSGGNTDYNTPFTSRLTISVDTSKNQFSLKLSSVTAADTAVYYCARALDYYDYEFAYWGQGTLVTVSS; L: EIVLTQSPDFQSVTPKEKVTITCRASQSIGTNIHWYQQKPDQSPKLLIKYASESISGIPSRFSGSGSGTDFTLTINSLEAEDAATYYCQQNNEWPTSFGQGTKLEIK
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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -3.1553
• Maximal score value: 1.9362
• Average score: -0.6024
• Total score value: -136.145

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	-1.5469
2	V	H	-1.0569
3	Q	H	-1.8321
4	L	H	0.0000
5	Q	H	-1.8594
6	E	H	0.0000
7	S	H	-0.8434
8	G	H	-0.4701
9	P	H	-0.0742
11	G	H	0.3173
12	L	H	0.8531
13	V	H	0.0000
14	K	H	-1.2205
15	P	H	-1.1997
16	S	H	-1.2984
17	E	H	-1.9183
18	T	H	-1.3980
19	L	H	0.0000
20	S	H	-0.9533
21	L	H	0.0000
22	T	H	-0.6528
23	C	H	0.0000
24	T	H	-1.2958
25	V	H	0.0000
26	S	H	-1.4260
27	G	H	-1.1742
28	F	H	-0.7524
29	S	H	-0.7386
30	L	H	0.0000
35	S	H	-0.8769
36	N	H	-1.0555
37	Y	H	0.2585
38	D	H	0.0000
39	V	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.7103
45	A	H	-0.7585
46	P	H	-0.8549
47	G	H	-1.4399
48	K	H	-2.3235
49	G	H	-1.4947
50	L	H	0.0000
51	E	H	-1.0730
52	W	H	0.0000
53	L	H	0.0000
54	G	H	0.0000
55	V	H	0.0000
56	I	H	0.0000
57	W	H	-0.3960
58	S	H	-0.7185
59	G	H	-1.0934
63	G	H	-1.2112
64	N	H	-1.5609
65	T	H	-0.8189
66	D	H	-0.3908
67	Y	H	-0.0691
68	N	H	-0.3683
69	T	H	-0.3869
70	P	H	-0.4111
71	F	H	0.0000
72	T	H	-0.4043
74	S	H	-0.5012
75	R	H	-0.8465
76	L	H	0.0000
77	T	H	-0.6989
78	I	H	0.0000
79	S	H	-0.5499
80	V	H	-0.6648
81	D	H	-1.4334
82	T	H	-1.3710
83	S	H	-1.4353
84	K	H	-2.2966
85	N	H	-1.7138
86	Q	H	-1.4622
87	F	H	0.0000
88	S	H	-0.5662
89	L	H	0.0000
90	K	H	-1.4879
91	L	H	0.0000
92	S	H	-1.1423
93	S	H	-1.0297
94	V	H	0.0000
95	T	H	-0.5248
96	A	H	-0.1578
97	A	H	0.0248
98	D	H	0.0000
99	T	H	0.2879
100	A	H	0.0000
101	V	H	0.3237
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	A	H	0.0000
108	L	H	0.8975
109	D	H	0.6882
110	Y	H	1.6663
111	Y	H	1.9362
112	D	H	0.0000
113	Y	H	0.4451
114	E	H	0.0000
115	F	H	0.0000
116	A	H	0.1585
117	Y	H	0.0146
118	W	H	-0.6494
119	G	H	0.0000
120	Q	H	-1.9795
121	G	H	-0.9344
122	T	H	-0.0970
123	L	H	0.9790
124	V	H	0.0000
125	T	H	0.4218
126	V	H	0.0000
127	S	H	-0.2880
128	S	H	-0.4331
1	E	L	-1.3830
2	I	L	0.0000
3	V	L	0.8370
4	L	L	0.0000
5	T	L	-0.7388
6	Q	L	0.0000
7	S	L	-0.9469
8	P	L	-0.6282
9	D	L	-1.4249
10	F	L	0.2423
11	Q	L	-0.4860
12	S	L	-0.8298
13	V	L	0.0000
14	T	L	-2.0388
15	P	L	-2.3994
16	K	L	-3.0120
17	E	L	-3.1553
18	K	L	-3.0480
19	V	L	0.0000
20	T	L	-0.7229
21	I	L	0.0000
22	T	L	-0.9370
23	C	L	0.0000
24	R	L	-2.0183
25	A	L	0.0000
26	S	L	-0.6818
27	Q	L	-1.1358
28	S	L	-1.2612
29	I	L	0.0000
36	G	L	-0.9442
37	T	L	-0.7239
38	N	L	-0.7167
39	I	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-1.2721
45	K	L	-1.8033
46	P	L	-1.6664
47	D	L	-2.6544
48	Q	L	-2.5410
49	S	L	-1.4992
50	P	L	0.0000
51	K	L	-1.0049
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	K	L	-0.7672
56	Y	L	-0.7149
57	A	L	0.0000
65	S	L	-1.2670
66	E	L	-2.0169
67	S	L	-1.1386
68	I	L	-0.4773
69	S	L	-0.4807
70	G	L	-0.4257
71	I	L	-0.1915
72	P	L	-0.2899
74	S	L	-0.5223
75	R	L	-0.9867
76	F	L	0.0000
77	S	L	-0.7688
78	G	L	-0.7152
79	S	L	-0.7910
80	G	L	-0.9656
83	S	L	-1.0243
84	G	L	-1.1238
85	T	L	-1.5304
86	D	L	-1.9919
87	F	L	0.0000
88	T	L	-0.6842
89	L	L	0.0000
90	T	L	0.0000
91	I	L	0.0000
92	N	L	-2.1993
93	S	L	-2.4497
94	L	L	0.0000
95	E	L	-2.2382
96	A	L	-1.7060
97	E	L	-2.1581
98	D	L	0.0000
99	A	L	-1.2826
100	A	L	0.0000
101	T	L	-0.8677
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	N	L	-0.6198
108	N	L	-1.1613
109	E	L	-1.0536
114	W	L	0.1522
115	P	L	0.0000
116	T	L	0.0000
117	S	L	-0.2257
118	F	L	0.1019
119	G	L	0.0000
120	Q	L	-1.4037
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.3073
124	L	L	0.0000
125	E	L	-1.5447
126	I	L	-1.6443
127	K	L	-1.9495