Project name: P1A9

Chain sequence(s)	H: QVQLQQPGAELVKPGASVKLSCKASGYTFTNYWMHWVKQRPGRGLEWIGRIDPDNGETNYNEKFKTKATLTVDKPSSTAYMQLSSLTSEDSAVYYCARRAYYSKNALDYWGQGTSVTVSS; L: DAVMTQTPLSLPVSLGDQASISCRSSQSLVHSNGNTYLHWYLQKPGQSPKLLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYFCSQSTHVPYTFGGGTKLELK
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                                          (00:01:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:24)

• Minimal score value: -3.3341
• Maximal score value: 1.4351
• Average score: -0.6381
• Total score value: -148.0384

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	-1.5679
2	V	H	-1.2091
3	Q	H	-2.0580
4	L	H	0.0000
5	Q	H	-2.1871
6	Q	H	0.0000
7	P	H	-1.0125
8	G	H	-0.9522
9	A	H	-0.1770
11	E	H	-0.2356
12	L	H	0.8692
13	V	H	-0.2178
14	K	H	-1.6536
15	P	H	-1.3744
16	G	H	-1.1218
17	A	H	-0.8696
18	S	H	-1.0264
19	V	H	0.0000
20	K	H	-1.7725
21	L	H	0.0000
22	S	H	-0.7855
23	C	H	0.0000
24	K	H	-1.7545
25	A	H	0.0000
26	S	H	-1.3439
27	G	H	-1.0959
28	Y	H	-0.6064
29	T	H	-0.5103
30	F	H	0.0000
35	T	H	-1.6176
36	N	H	-1.1107
37	Y	H	-0.0640
38	W	H	-0.3667
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	0.0000
44	Q	H	-0.9874
45	R	H	-1.5878
46	P	H	-1.2055
47	G	H	-1.6126
48	R	H	-2.5311
49	G	H	-1.4837
50	L	H	0.0000
51	E	H	-1.2069
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	R	H	-0.6416
56	I	H	0.0000
57	D	H	-1.8790
58	P	H	0.0000
59	D	H	-3.1879
62	N	H	-2.7374
63	G	H	-2.1788
64	E	H	-2.5191
65	T	H	-1.2406
66	N	H	-0.9518
67	Y	H	-1.2385
68	N	H	-2.0052
69	E	H	-3.3341
70	K	H	-3.1823
71	F	H	0.0000
72	K	H	-2.9529
74	T	H	-1.6369
75	K	H	-1.4196
76	A	H	0.0000
77	T	H	-0.7245
78	L	H	0.0000
79	T	H	-0.5204
80	V	H	-0.7549
81	D	H	-1.3261
82	K	H	-1.8237
83	P	H	-0.9723
84	S	H	-0.9066
85	S	H	-1.0013
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.3703
89	M	H	0.0000
90	Q	H	-1.1926
91	L	H	0.0000
92	S	H	-0.7688
93	S	H	-0.7930
94	L	H	0.0000
95	T	H	-1.2609
96	S	H	-1.4552
97	E	H	-2.0109
98	D	H	0.0000
99	S	H	-0.6667
100	A	H	0.0000
101	V	H	0.0079
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	R	H	0.1767
108	A	H	0.0000
109	Y	H	1.4327
110	Y	H	1.4351
111	S	H	0.3350
112	K	H	-0.3932
113	N	H	-0.0342
114	A	H	0.0000
115	L	H	0.0000
116	D	H	-0.3316
117	Y	H	-0.2219
118	W	H	-0.6300
119	G	H	0.0000
120	Q	H	-1.5647
121	G	H	0.0000
122	T	H	0.0000
123	S	H	-0.1868
124	V	H	0.0000
125	T	H	-0.1481
126	V	H	0.0000
127	S	H	-0.6309
128	S	H	-0.7493
1	D	L	-1.4920
2	A	L	0.0000
3	V	L	0.6820
4	M	L	0.0000
5	T	L	-0.3307
6	Q	L	0.0000
7	T	L	0.0073
8	P	L	0.4390
9	L	L	1.1706
10	S	L	0.1477
11	L	L	-0.1829
12	P	L	-0.8280
13	V	L	0.0000
14	S	L	-0.6131
15	L	L	0.0965
16	G	L	-1.1059
17	D	L	-1.4303
18	Q	L	-1.9872
19	A	L	0.0000
20	S	L	-0.8028
21	I	L	0.0000
22	S	L	-0.7561
23	C	L	0.0000
24	R	L	-2.2271
25	S	L	0.0000
26	S	L	-0.9814
27	Q	L	-1.5035
28	S	L	-0.8764
29	L	L	0.0000
30	V	L	0.1979
31	H	L	-0.6826
32	S	L	-0.9573
34	N	L	-1.6368
35	G	L	-1.0956
36	N	L	-0.8905
37	T	L	-0.3349
38	Y	L	0.0000
39	L	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	L	L	0.0000
44	Q	L	-0.7469
45	K	L	-1.0710
46	P	L	-0.6927
47	G	L	-1.0601
48	Q	L	-1.3382
49	S	L	-0.9516
50	P	L	0.0000
51	K	L	-1.1214
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.0000
56	K	L	-0.8819
57	V	L	0.0000
65	S	L	-0.9697
66	N	L	-1.3612
67	R	L	-1.6370
68	F	L	-0.7839
69	S	L	-0.5733
70	G	L	-0.7909
71	V	L	-0.8300
72	P	L	-1.2015
74	D	L	-2.1564
75	R	L	-2.0685
76	F	L	0.0000
77	S	L	-1.3436
78	G	L	0.0000
79	S	L	-0.9040
80	G	L	-1.0335
83	S	L	-0.7137
84	G	L	-0.7197
85	T	L	-1.3969
86	D	L	-1.9161
87	F	L	0.0000
88	T	L	-0.9678
89	L	L	0.0000
90	K	L	-1.6607
91	I	L	0.0000
92	S	L	-2.3498
93	R	L	-2.7220
94	V	L	0.0000
95	E	L	-1.8932
96	A	L	-0.9883
97	E	L	-2.0452
98	D	L	0.0000
99	L	L	-0.7031
100	G	L	0.0000
101	V	L	-0.0796
102	Y	L	0.0000
103	F	L	0.0000
104	C	L	0.0000
105	S	L	0.0000
106	Q	L	0.0000
107	S	L	0.0000
108	T	L	0.0000
109	H	L	0.0306
114	V	L	0.8382
115	P	L	-0.3000
116	Y	L	0.0000
117	T	L	0.1426
118	F	L	0.1945
119	G	L	0.0000
120	G	L	-0.4758
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.6637
124	L	L	0.0000
125	E	L	-0.8415
126	L	L	-0.3856
127	K	L	-1.3362