Project name: Precemtabart

Chain sequence(s)	H: EVQLQESGPGLVKPSQTLSLTCTVSDGSVSRGGYYLTWIRQHPGKGLEWIGYIYYSGSTYFNPSLRSRVTMSVDTSKNQFSLKLSSVTAADTAVYYCARGIAVAPFDYWGQGTLVTVSS; L: EIVLTQSPATLSVSPGERATLSCRTSQSVRSNLAWYQQKPGQAPRLLIYAASTRATGIPARFSGSGSGTEFTLTISSLQSEDFAVYYCQQYTNWPFTFGPGTKVDIK
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                                          (00:00:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:55)

• Minimal score value: -2.6947
• Maximal score value: 1.8113
• Average score: -0.523
• Total score value: -118.1872

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	E	H	-2.5999
2	V	H	0.0000
3	Q	H	-2.3475
4	L	H	0.0000
5	Q	H	-1.5012
6	E	H	0.0000
7	S	H	-0.6992
8	G	H	-0.5377
9	P	H	-0.2648
11	G	H	0.0287
12	L	H	0.1482
13	V	H	0.0000
14	K	H	-1.6961
15	P	H	-1.2379
16	S	H	-1.2018
17	Q	H	-1.6231
18	T	H	-1.2525
19	L	H	0.0000
20	S	H	-0.9187
21	L	H	0.0000
22	T	H	-0.5908
23	C	H	0.0000
24	T	H	-1.0760
25	V	H	0.0000
26	S	H	-2.1127
27	D	H	-2.6947
28	G	H	-2.0025
29	S	H	-1.4246
30	V	H	0.0000
31	S	H	-1.1356
34	R	H	-2.0079
35	G	H	-1.2750
36	G	H	-0.4852
37	Y	H	0.1916
38	Y	H	0.7135
39	L	H	0.0000
40	T	H	0.0000
41	W	H	0.0000
42	I	H	0.0000
43	R	H	0.0000
44	Q	H	-0.7301
45	H	H	-1.0065
46	P	H	-1.0160
47	G	H	-1.5200
48	K	H	-2.3062
49	G	H	-1.3250
50	L	H	0.0000
51	E	H	-0.7800
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	Y	H	0.6389
56	I	H	0.0000
57	Y	H	0.3358
58	Y	H	-0.0201
59	S	H	-0.1704
63	G	H	-0.4220
64	S	H	-0.0308
65	T	H	0.4622
66	Y	H	1.0569
67	F	H	0.3439
68	N	H	0.0000
69	P	H	-0.7088
70	S	H	-0.6470
71	L	H	0.0000
72	R	H	-0.9079
74	S	H	-0.8474
75	R	H	-1.0939
76	V	H	0.0000
77	T	H	-0.6584
78	M	H	0.0000
79	S	H	-0.4497
80	V	H	-0.5120
81	D	H	-1.3644
82	T	H	-1.0976
83	S	H	-1.3783
84	K	H	-2.2381
85	N	H	-1.7254
86	Q	H	-1.3431
87	F	H	0.0000
88	S	H	-0.6123
89	L	H	0.0000
90	K	H	-1.4986
91	L	H	0.0000
92	S	H	-1.0196
93	S	H	-0.9528
94	V	H	0.0000
95	T	H	-0.5374
96	A	H	-0.2111
97	A	H	-0.0059
98	D	H	0.0000
99	T	H	0.1534
100	A	H	0.0000
101	V	H	0.4334
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	G	H	0.0000
108	I	H	1.2640
109	A	H	1.2903
110	V	H	1.8113
113	A	H	1.1604
114	P	H	0.0000
115	F	H	0.0000
116	D	H	-0.2336
117	Y	H	-0.5083
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.7274
121	G	H	0.0000
122	T	H	-0.0049
123	L	H	0.8196
124	V	H	0.0000
125	T	H	0.1273
126	V	H	0.0000
127	S	H	-0.5704
128	S	H	-0.6882
1	E	L	-1.8261
2	I	L	0.0000
3	V	L	0.7417
4	L	L	0.0000
5	T	L	-0.4076
6	Q	L	0.0000
7	S	L	-0.7015
8	P	L	-0.4041
9	A	L	-0.3866
10	T	L	-0.5648
11	L	L	-0.2291
12	S	L	-0.3491
13	V	L	0.0000
14	S	L	-1.0460
15	P	L	-1.3369
16	G	L	-1.7642
17	E	L	-2.3989
18	R	L	-2.6871
19	A	L	0.0000
20	T	L	-0.5629
21	L	L	0.0000
22	S	L	-0.9007
23	C	L	0.0000
24	R	L	-2.3364
25	T	L	0.0000
26	S	L	-1.0393
27	Q	L	-1.9399
28	S	L	-1.8760
29	V	L	0.0000
36	R	L	-2.3952
37	S	L	-1.2854
38	N	L	-0.5415
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.8119
44	Q	L	0.0000
45	K	L	-1.3819
46	P	L	-0.9438
47	G	L	-1.3467
48	Q	L	-2.0388
49	A	L	-1.3944
50	P	L	0.0000
51	R	L	-1.5932
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.2328
56	A	L	-0.0880
57	A	L	0.0000
65	S	L	-0.4517
66	T	L	-0.3764
67	R	L	-0.8653
68	A	L	-0.6051
69	T	L	-0.4683
70	G	L	-0.5343
71	I	L	-0.4611
72	P	L	-0.3190
74	A	L	-0.2902
75	R	L	-0.6813
76	F	L	0.0000
77	S	L	-0.4756
78	G	L	-0.4148
79	S	L	-0.6670
80	G	L	-1.3400
83	S	L	-1.4352
84	G	L	-1.8937
85	T	L	-2.1083
86	E	L	-2.3133
87	F	L	0.0000
88	T	L	-0.8044
89	L	L	0.0000
90	T	L	-0.5950
91	I	L	0.0000
92	S	L	-1.2725
93	S	L	-1.6686
94	L	L	0.0000
95	Q	L	-1.5311
96	S	L	-0.8750
97	E	L	-1.4721
98	D	L	0.0000
99	F	L	-0.2302
100	A	L	0.0000
101	V	L	-0.3854
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	Y	L	0.0000
108	T	L	-0.8162
109	N	L	-1.5315
114	W	L	-0.7328
115	P	L	0.0000
116	F	L	0.0000
117	T	L	-0.1492
118	F	L	0.2828
119	G	L	0.0000
120	P	L	-0.5775
121	G	L	-0.6824
122	T	L	0.0000
123	K	L	-1.2210
124	V	L	0.0000
125	D	L	-0.0262
126	I	L	0.8747
127	K	L	-0.8939