Project name: b5a41b087bc1913

Chain sequence(s)	H: QIQLVQSGPELKKPGETVKISCEASGYTFTNYVMNWVKQAPGKGLKWMGWINTYTGEPAYADDFKGRFAFSLETSATTAYLQINNLKNEDSATYFCARDSYYFGSSWYFDYWGQGTTLTVSS; L: DIVMTQSHKFMSTSVGDRVSITCKASQDVSTAVAWYQQKPGQSPKLLIYSASYRYTGVPDRFTGSGSGTDFTFTISSVQAEDLAVYYCQQHYSTPFTFGSGTKLEIK
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                                          (00:02:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:18)

• Minimal score value: -3.4057
• Maximal score value: 2.4923
• Average score: -0.535
• Total score value: -122.5187

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	-1.3750
2	I	H	-0.7309
3	Q	H	-0.8945
4	L	H	0.0000
5	V	H	0.3694
6	Q	H	0.0000
7	S	H	-0.6192
8	G	H	-0.7697
9	P	H	-0.4625
11	E	H	-0.3017
12	L	H	0.7735
13	K	H	-0.9957
14	K	H	-2.1559
15	P	H	-2.5689
16	G	H	-2.4605
17	E	H	-2.5168
18	T	H	-2.0081
19	V	H	0.0000
20	K	H	-1.8240
21	I	H	0.0000
22	S	H	-0.4247
23	C	H	0.0000
24	E	H	-0.4574
25	A	H	0.0000
26	S	H	-0.5870
27	G	H	-0.8768
28	Y	H	-0.4720
29	T	H	-0.3751
30	F	H	0.0000
35	T	H	-0.0768
36	N	H	-0.7409
37	Y	H	0.2430
38	V	H	0.0000
39	M	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	-0.6939
44	Q	H	-1.0117
45	A	H	-1.3208
46	P	H	-1.0986
47	G	H	-1.4600
48	K	H	-2.2346
49	G	H	-1.3703
50	L	H	0.0000
51	K	H	-1.0094
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	W	H	-0.1208
56	I	H	0.0000
57	N	H	-0.5742
58	T	H	0.0000
59	Y	H	0.6888
62	T	H	-0.1237
63	G	H	-0.8749
64	E	H	-1.8059
65	P	H	-1.0150
66	A	H	-0.7646
67	Y	H	-1.0423
68	A	H	0.0000
69	D	H	-3.4057
70	D	H	-3.2373
71	F	H	0.0000
72	K	H	-3.0511
74	G	H	-1.9555
75	R	H	-1.6942
76	F	H	0.0000
77	A	H	-0.7819
78	F	H	0.0000
79	S	H	-0.7017
80	L	H	-0.4258
81	E	H	-1.1290
82	T	H	-0.4947
83	S	H	-0.5276
84	A	H	-0.5154
85	T	H	-0.5139
86	T	H	-0.4514
87	A	H	0.0000
88	Y	H	-0.5345
89	L	H	0.0000
90	Q	H	-1.2307
91	I	H	0.0000
92	N	H	-1.9179
93	N	H	-2.5312
94	L	H	0.0000
95	K	H	-3.2428
96	N	H	-3.0357
97	E	H	-2.8414
98	D	H	0.0000
99	S	H	-1.2355
100	A	H	0.0000
101	T	H	-0.4311
102	Y	H	0.0000
103	F	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	D	H	0.0000
108	S	H	1.0233
109	Y	H	1.5273
110	Y	H	2.4596
111	F	H	2.4923
111A	G	H	0.8653
112A	S	H	0.8895
112	S	H	0.0000
113	W	H	1.1310
114	Y	H	0.0000
115	F	H	0.0000
116	D	H	0.0000
117	Y	H	-0.1708
118	W	H	-0.3452
119	G	H	0.0000
120	Q	H	-1.1818
121	G	H	-0.7491
122	T	H	0.0000
123	T	H	-0.3807
124	L	H	0.0000
125	T	H	-0.5158
126	V	H	0.0000
127	S	H	-0.8972
128	S	H	-0.7248
1	D	L	-1.7777
2	I	L	0.0000
3	V	L	0.6129
4	M	L	0.0000
5	T	L	-0.5694
6	Q	L	0.0000
7	S	L	-1.1367
8	H	L	-1.4183
9	K	L	-1.4594
10	F	L	0.3795
11	M	L	-0.1737
12	S	L	-0.4203
13	T	L	0.0000
14	S	L	-0.4329
15	V	L	0.5131
16	G	L	-0.5220
17	D	L	-1.2472
18	R	L	-2.1117
19	V	L	0.0000
20	S	L	-0.5657
21	I	L	0.0000
22	T	L	-0.9153
23	C	L	0.0000
24	K	L	-2.1395
25	A	L	0.0000
26	S	L	-1.2874
27	Q	L	-2.4425
28	D	L	-2.7541
29	V	L	0.0000
36	S	L	-1.0061
37	T	L	-0.5331
38	A	L	0.0720
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	-0.8629
45	K	L	-1.1372
46	P	L	-0.7136
47	G	L	-1.1965
48	Q	L	-1.6534
49	S	L	0.0000
50	P	L	0.0000
51	K	L	-1.6393
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.5428
56	S	L	0.3729
57	A	L	0.0000
65	S	L	0.2646
66	Y	L	0.9958
67	R	L	-0.4120
68	Y	L	-0.0705
69	T	L	-0.1901
70	G	L	-0.7534
71	V	L	-0.7830
72	P	L	-1.2258
74	D	L	-2.1851
75	R	L	-1.6487
76	F	L	0.0000
77	T	L	-0.4696
78	G	L	0.0000
79	S	L	-0.4256
80	G	L	-1.0335
83	S	L	-1.2980
84	G	L	-1.8169
85	T	L	-2.2889
86	D	L	-2.5554
87	F	L	0.0000
88	T	L	-0.7051
89	F	L	0.0000
90	T	L	0.0000
91	I	L	0.0000
92	S	L	-1.6405
93	S	L	-1.2884
94	V	L	0.0000
95	Q	L	-0.7414
96	A	L	-0.5690
97	E	L	-1.6099
98	D	L	0.0000
99	L	L	-0.0469
100	A	L	0.0000
101	V	L	0.0636
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	0.0000
108	Y	L	0.7697
109	S	L	0.1133
114	T	L	-0.2203
115	P	L	-0.9361
116	F	L	0.0000
117	T	L	-0.0572
118	F	L	0.0000
119	G	L	0.0000
120	S	L	-0.9720
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.5697
124	L	L	0.0000
125	E	L	-0.4504
126	I	L	-0.1940
127	K	L	-1.3424