Project name: 3F12

Chain sequence(s)	H: QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAVISYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDGKCAGGSCYSGLLDYWGQGTLVTVSS; L: EIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPPWTFGQGTKVEIK
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                                          (00:00:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:56)

• Minimal score value: -2.605
• Maximal score value: 1.6625
• Average score: -0.5649
• Total score value: -131.6167

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	-1.3892
2	V	H	-0.6681
3	Q	H	-1.0648
4	L	H	0.0000
5	V	H	-0.0110
6	E	H	0.0000
7	S	H	-0.2740
8	G	H	-0.6482
9	G	H	0.1889
11	G	H	0.8593
12	V	H	1.6625
13	V	H	0.0000
14	Q	H	-1.2150
15	P	H	-1.7828
16	G	H	-2.0314
17	R	H	-2.6050
18	S	H	-1.7310
19	L	H	-1.0134
20	R	H	-1.5370
21	L	H	0.0000
22	S	H	-0.4445
23	C	H	0.0000
24	A	H	-0.4846
25	A	H	0.0000
26	S	H	-0.7619
27	G	H	-0.9380
28	F	H	-0.3979
29	T	H	-0.1169
30	F	H	0.0000
35	S	H	-0.5998
36	S	H	-0.2694
37	Y	H	-0.0230
38	G	H	0.0000
39	M	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	-0.6366
45	A	H	-1.0206
46	P	H	-0.8086
47	G	H	-1.4813
48	K	H	-2.3767
49	G	H	-1.5767
50	L	H	0.0000
51	E	H	-1.0017
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	V	H	0.0000
56	I	H	0.0000
57	S	H	0.0000
58	Y	H	0.2106
59	D	H	-0.9329
62	G	H	-0.9367
63	S	H	-0.9473
64	N	H	-1.2158
65	K	H	-0.9601
66	Y	H	-0.5439
67	Y	H	-0.8943
68	A	H	-1.3618
69	D	H	-2.4577
70	S	H	-1.7347
71	V	H	0.0000
72	K	H	-2.5560
74	G	H	-1.7073
75	R	H	-1.4210
76	F	H	0.0000
77	T	H	-0.8151
78	I	H	0.0000
79	S	H	-0.6319
80	R	H	-0.9103
81	D	H	-1.5510
82	N	H	-1.6334
83	S	H	-1.5516
84	K	H	-2.3864
85	N	H	-1.8217
86	T	H	-1.1002
87	L	H	0.0000
88	Y	H	-0.4145
89	L	H	0.0000
90	Q	H	-1.0026
91	M	H	0.0000
92	N	H	-1.6438
93	S	H	-1.6344
94	L	H	0.0000
95	R	H	-2.2106
96	A	H	-1.5412
97	E	H	-2.1700
98	D	H	0.0000
99	T	H	-0.3101
100	A	H	0.0000
101	V	H	0.7410
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	K	H	0.0000
107	D	H	0.0000
108	G	H	0.0000
109	K	H	-1.7069
110	C	H	-0.8730
111	A	H	-0.7181
111A	G	H	-0.8650
111B	G	H	-0.8775
112C	S	H	-0.4665
112B	C	H	-0.1610
112A	Y	H	0.0002
112	S	H	-0.2914
113	G	H	0.0000
114	L	H	0.0362
115	L	H	0.0000
116	D	H	-0.1124
117	Y	H	0.4543
118	W	H	-0.1081
119	G	H	0.0000
120	Q	H	-1.2464
121	G	H	-0.3631
122	T	H	0.4141
123	L	H	1.5569
124	V	H	0.0000
125	T	H	0.4980
126	V	H	0.0000
127	S	H	-0.4332
128	S	H	-0.3524
1	E	L	-1.7485
2	I	L	0.0000
3	V	L	0.6883
4	L	L	0.0000
5	T	L	-0.7149
6	Q	L	0.0000
7	S	L	-0.7708
8	P	L	-0.3484
9	A	L	-0.4542
10	T	L	-0.4461
11	L	L	-0.1149
12	S	L	-0.2128
13	L	L	-0.4769
14	S	L	-0.8539
15	P	L	-1.2171
16	G	L	-1.5753
17	E	L	-1.9954
18	R	L	-2.3814
19	A	L	0.0000
20	T	L	-0.6443
21	L	L	0.0000
22	S	L	-0.8640
23	C	L	0.0000
24	R	L	-2.3014
25	A	L	0.0000
26	S	L	-0.9456
27	Q	L	-1.5334
28	S	L	-1.3349
29	V	L	0.0000
36	S	L	-0.6481
37	S	L	-0.2304
38	Y	L	0.3067
39	L	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	0.0000
45	K	L	-1.1869
46	P	L	-0.9851
47	G	L	-1.4320
48	Q	L	-1.9970
49	A	L	-1.1894
50	P	L	0.0000
51	R	L	-0.6835
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.1201
56	D	L	-0.3432
57	A	L	0.0000
65	S	L	-0.8814
66	N	L	-1.2937
67	R	L	-1.4850
68	A	L	-0.8474
69	T	L	-0.6225
70	G	L	-0.5839
71	I	L	-0.5574
72	P	L	-0.3383
74	A	L	-0.3182
75	R	L	-0.5989
76	F	L	0.0000
77	S	L	-0.6416
78	G	L	0.0000
79	S	L	-0.7561
80	G	L	-1.0727
83	S	L	-0.9794
84	G	L	-1.0773
85	T	L	-1.6996
86	D	L	-2.0957
87	F	L	0.0000
88	T	L	-0.7502
89	L	L	0.0000
90	T	L	-0.6037
91	I	L	0.0000
92	S	L	-1.2455
93	S	L	-1.5267
94	L	L	0.0000
95	E	L	-1.6477
96	P	L	-0.9175
97	E	L	-1.3706
98	D	L	0.0000
99	F	L	-0.1436
100	A	L	0.0000
101	V	L	-0.2360
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	R	L	-0.2282
108	S	L	-0.5502
109	N	L	-1.5052
113	W	L	-0.6528
114	P	L	-0.5548
115	P	L	-0.8688
116	W	L	0.0000
117	T	L	-0.2601
118	F	L	0.0287
119	G	L	0.0000
120	Q	L	-1.3074
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.0334
124	V	L	0.0000
125	E	L	0.0084
126	I	L	1.0160
127	K	L	-0.8030