Project name: 18F8A2

Chain sequence(s)	H: QVTLKESGPGILQPSQTLSLTCSFSGFSLRTSGLGVGWVRQPSGKGLEWLAHIWWDDDKDYNPVLKNRLTISKDTSTRQVFLKIAGVDSTDSARYYCIRVTHNSLFGAMDYWGQGTSVTVSS; L: DIVMTQSHKFMSTSGGDRVSITCKASHDVRNDVAWYQQKPGQSPKLLIYSTSYRYTGVSDRFTGSGSGTDFTFTISSVEAEDLAVYYCQQHSSSPWTFGGGTKLEIK
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                                          (00:01:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:13)

• Minimal score value: -3.2793
• Maximal score value: 1.4648
• Average score: -0.6731
• Total score value: -154.1329

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	-1.2921
2	V	H	-0.5765
3	T	H	-0.8169
4	L	H	0.0000
5	K	H	-1.9085
6	E	H	0.0000
7	S	H	-0.8345
8	G	H	-0.2363
9	P	H	0.1754
11	G	H	0.3879
12	I	H	1.4648
13	L	H	0.1023
14	Q	H	-1.1098
15	P	H	-1.2187
16	S	H	-1.1978
17	Q	H	-1.3268
18	T	H	-0.9803
19	L	H	0.0000
20	S	H	-0.7048
21	L	H	0.0000
22	T	H	-0.4128
23	C	H	0.0000
24	S	H	-0.8552
25	F	H	0.0000
26	S	H	-0.8625
27	G	H	-0.8324
28	F	H	-0.5819
29	S	H	-0.8412
30	L	H	0.0000
31	R	H	-2.3456
34	T	H	-1.1388
35	S	H	-1.1597
36	G	H	-1.0885
37	L	H	-0.7604
38	G	H	0.0000
39	V	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-1.2287
45	P	H	0.0000
46	S	H	-1.2118
47	G	H	-1.4330
48	K	H	-2.2339
49	G	H	-1.3398
50	L	H	0.0000
51	E	H	-0.7799
52	W	H	0.0000
53	L	H	0.0000
54	A	H	0.0000
55	H	H	0.0000
56	I	H	0.0000
57	W	H	-1.7145
58	W	H	-1.9028
59	D	H	-2.9779
63	D	H	-2.9294
64	D	H	-3.0102
65	K	H	-1.9730
66	D	H	-1.3310
67	Y	H	-0.6806
68	N	H	-0.5887
69	P	H	-0.4180
70	V	H	0.7930
71	L	H	0.0000
72	K	H	-1.9948
74	N	H	-1.9811
75	R	H	-1.5411
76	L	H	0.0000
77	T	H	-1.0908
78	I	H	0.0000
79	S	H	-0.7541
80	K	H	-0.6475
81	D	H	-1.1803
82	T	H	-1.2423
83	S	H	-0.9069
84	T	H	-0.6837
85	R	H	-1.1644
86	Q	H	-0.8779
87	V	H	0.0000
88	F	H	0.0976
89	L	H	0.0000
90	K	H	-1.2818
91	I	H	0.0000
92	A	H	-1.1325
93	G	H	-1.1633
94	V	H	0.0000
95	D	H	-1.5013
96	S	H	-0.9360
97	T	H	-0.5223
98	D	H	0.0000
99	S	H	-0.3735
100	A	H	0.0000
101	R	H	-1.2201
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	I	H	0.0000
106	R	H	-0.0669
107	V	H	0.0000
108	T	H	-0.4917
109	H	H	-1.0520
110	N	H	-1.0969
111	S	H	-0.3232
112A	L	H	0.6846
112	F	H	0.2225
113	G	H	-0.4163
114	A	H	0.0000
115	M	H	0.0000
116	D	H	0.0000
117	Y	H	0.1217
118	W	H	-0.5142
119	G	H	0.0000
120	Q	H	-1.9101
121	G	H	-1.3575
122	T	H	-1.0708
123	S	H	-0.6359
124	V	H	0.0000
125	T	H	0.0704
126	V	H	0.0000
127	S	H	-0.4090
128	S	H	-0.5529
1	D	L	-1.3786
2	I	L	0.0000
3	V	L	0.8187
4	M	L	0.0000
5	T	L	-0.8084
6	Q	L	-1.0130
7	S	L	-1.2559
8	H	L	-1.4985
9	K	L	-1.5536
10	F	L	0.4630
11	M	L	0.1630
12	S	L	-0.2927
13	T	L	0.0000
14	S	L	-1.5124
15	G	L	-1.8941
16	G	L	-1.6694
17	D	L	-2.0108
18	R	L	-2.4299
19	V	L	0.0000
20	S	L	-0.7023
21	I	L	0.0000
22	T	L	-0.9738
23	C	L	0.0000
24	K	L	-2.1390
25	A	L	0.0000
26	S	L	-1.0954
27	H	L	-2.2050
28	D	L	-3.2793
29	V	L	0.0000
36	R	L	-2.9657
37	N	L	-2.2063
38	D	L	-1.3016
39	V	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-0.7749
45	K	L	-1.0873
46	P	L	-0.6782
47	G	L	-1.1137
48	Q	L	-1.4546
49	S	L	-1.2429
50	P	L	0.0000
51	K	L	-1.2622
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.0000
56	S	L	-0.2682
57	T	L	0.0000
65	S	L	-0.1280
66	Y	L	0.6311
67	R	L	-0.5644
68	Y	L	-0.1503
69	T	L	-0.1929
70	G	L	-0.6827
71	V	L	-0.6945
72	S	L	-1.1632
74	D	L	-2.1227
75	R	L	-1.5501
76	F	L	0.0000
77	T	L	-0.5901
78	G	L	0.0000
79	S	L	-0.5898
80	G	L	-1.3919
83	S	L	-1.9421
84	G	L	-2.5679
85	T	L	-2.5467
86	D	L	-2.5574
87	F	L	0.0000
88	T	L	-0.7235
89	F	L	0.0000
90	T	L	-0.5944
91	I	L	0.0000
92	S	L	-1.6614
93	S	L	-1.7938
94	V	L	0.0000
95	E	L	-1.6698
96	A	L	-1.3210
97	E	L	-1.8669
98	D	L	0.0000
99	L	L	-0.1617
100	A	L	0.0000
101	V	L	0.0165
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	H	L	-0.5350
108	S	L	-1.1102
109	S	L	-0.8306
114	S	L	-0.6976
115	P	L	-0.5775
116	W	L	0.0000
117	T	L	-0.2012
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.1628
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.5448
124	L	L	0.0000
125	E	L	-0.0855
126	I	L	-0.7403
127	K	L	-1.6367