Project name: 5-B9

Chain sequence(s)	H: EVQLQQPGTELVKPGASVKLSCKASGSTFTSYNMHWVKQTPGQGLEWIGAFYPGNGATSYNQRFKGKATLTADKSSSSAYMQLNSLTSEDSAVYYCARDAYYPWFAFWGQGTLVTVSS; L: DVLMTQSHKFMSTSGGDRVNITCKASQDVGDAVAWYQQKPGQSPKLLIYWASTRHTGVPDRFTGSGSGTDFTLTISNVQSEDLADYFCQQYTRYPYTFGGGTKLEIK
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:03)

• Minimal score value: -3.0451
• Maximal score value: 1.6793
• Average score: -0.6482
• Total score value: -145.8338

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	-2.1203
2	V	H	-1.2470
3	Q	H	-1.8989
4	L	H	0.0000
5	Q	H	-2.1008
6	Q	H	0.0000
7	P	H	-0.8859
8	G	H	-0.8233
9	T	H	0.0294
11	E	H	0.0407
12	L	H	0.9651
13	V	H	0.0000
14	K	H	-1.7390
15	P	H	-1.4800
16	G	H	-1.1911
17	A	H	-0.9578
18	S	H	-0.9786
19	V	H	-0.6629
20	K	H	-1.1592
21	L	H	0.0000
22	S	H	-0.6121
23	C	H	0.0000
24	K	H	-1.5653
25	A	H	0.0000
26	S	H	-1.3395
27	G	H	-1.3178
28	S	H	-0.7540
29	T	H	-0.3650
30	F	H	0.0000
35	T	H	-0.7267
36	S	H	-0.0158
37	Y	H	0.2558
38	N	H	-0.0540
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	-0.4288
45	T	H	-0.9303
46	P	H	-0.8240
47	G	H	-1.2739
48	Q	H	-1.7027
49	G	H	-1.0983
50	L	H	0.0000
51	E	H	-0.7580
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	A	H	0.0000
56	F	H	0.0000
57	Y	H	-0.1352
58	P	H	0.0000
59	G	H	-1.0463
62	N	H	-1.4977
63	G	H	-0.9971
64	A	H	-0.3992
65	T	H	-0.1598
66	S	H	-0.1402
67	Y	H	-0.8868
68	N	H	-1.6116
69	Q	H	-2.7710
70	R	H	-3.0451
71	F	H	0.0000
72	K	H	-2.9000
74	G	H	-1.9156
75	K	H	-1.7199
76	A	H	0.0000
77	T	H	-0.7087
78	L	H	0.0000
79	T	H	-0.1816
80	A	H	-0.9128
81	D	H	-1.6377
82	K	H	-2.3421
83	S	H	-1.2840
84	S	H	-1.0630
85	S	H	-1.2716
86	S	H	0.0000
87	A	H	0.0000
88	Y	H	-0.2090
89	M	H	0.0000
90	Q	H	-0.8346
91	L	H	0.0000
92	N	H	-0.9060
93	S	H	-0.9490
94	L	H	0.0000
95	T	H	-1.2954
96	S	H	-1.4013
97	E	H	-1.9398
98	D	H	0.0000
99	S	H	-0.4322
100	A	H	0.0000
101	V	H	0.3510
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0195
107	D	H	0.0000
108	A	H	0.9223
109	Y	H	1.6793
110	Y	H	1.5678
113	P	H	0.7011
114	W	H	0.0000
115	F	H	0.0000
116	A	H	0.0847
117	F	H	0.1592
118	W	H	-0.5182
119	G	H	0.0000
120	Q	H	-1.8011
121	G	H	0.0000
122	T	H	0.0000
123	L	H	0.5043
124	V	H	0.0000
125	T	H	0.0656
126	V	H	-0.5811
127	S	H	-0.5409
128	S	H	-0.6959
1	D	L	-1.5966
2	V	L	0.0000
3	L	L	0.6331
4	M	L	0.0000
5	T	L	-0.5743
6	Q	L	-0.7959
7	S	L	-1.0171
8	H	L	-1.1637
9	K	L	-1.0095
10	F	L	0.5473
11	M	L	0.0371
12	S	L	-0.4553
13	T	L	0.0000
14	S	L	-1.9260
15	G	L	-1.9369
16	G	L	-2.1652
17	D	L	-2.4921
18	R	L	-2.7996
19	V	L	0.0000
20	N	L	-0.8614
21	I	L	0.0000
22	T	L	-0.9782
23	C	L	0.0000
24	K	L	-1.8565
25	A	L	0.0000
26	S	L	-1.1601
27	Q	L	-2.2045
28	D	L	-2.9364
29	V	L	0.0000
36	G	L	-1.8022
37	D	L	-1.7369
38	A	L	0.0000
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	-1.0734
45	K	L	-1.4280
46	P	L	-1.0112
47	G	L	-1.4503
48	Q	L	-2.0681
49	S	L	-1.3210
50	P	L	0.0000
51	K	L	-1.1049
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.0728
56	W	L	-0.0087
57	A	L	0.0000
65	S	L	-0.5520
66	T	L	-0.3499
67	R	L	-1.1862
68	H	L	-0.7144
69	T	L	-0.5375
70	G	L	-0.8348
71	V	L	-0.9808
72	P	L	-1.3029
74	D	L	-2.1599
75	R	L	-1.8034
76	F	L	0.0000
77	T	L	-0.8236
78	G	L	0.0000
79	S	L	-0.8008
80	G	L	-1.3063
83	S	L	-1.7152
84	G	L	-2.0975
85	T	L	-2.3515
86	D	L	-2.6216
87	F	L	0.0000
88	T	L	-0.8073
89	L	L	0.0000
90	T	L	-0.8442
91	I	L	0.0000
92	S	L	-2.3078
93	N	L	-2.5854
94	V	L	0.0000
95	Q	L	-1.8420
96	S	L	-1.5896
97	E	L	-1.8733
98	D	L	0.0000
99	L	L	-0.4942
100	A	L	0.0000
101	D	L	-0.5993
102	Y	L	0.0000
103	F	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	-0.6335
109	R	L	-0.4743
114	Y	L	0.4342
115	P	L	-0.3508
116	Y	L	0.0000
117	T	L	0.0127
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.1124
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.6809
124	L	L	0.0000
125	E	L	-0.8250
126	I	L	-1.1641
127	K	L	-1.9179