Project name: 17109d020422320

Chain sequence(s)	H: QVQLQQPGSVLVRPGASVKLSCKASGYTFTSSWMHWTKQRPGQGLEWIGEIHPSSGNTHYNEKFKDKATLTVDTSSTTAYVDLSSLTSEDSAVYYCARTGHYFDYWGQGTTLTVSS; L: EIQMTQTTSSLSASLGDRVTISCRASQDISNYLNWYQQKPDGTVKLLIYYTSRLHSGVPSRFSGSGSGTDYSLTISNLEQEDIATYFCQQGDTLPFTFGSGTKLEVK
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                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:53)

• Minimal score value: -3.7513
• Maximal score value: 1.3172
• Average score: -0.6526
• Total score value: -145.5221

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	-1.5402
2	V	H	-1.2139
3	Q	H	-2.0449
4	L	H	0.0000
5	Q	H	-2.1886
6	Q	H	0.0000
7	P	H	-0.8684
8	G	H	-0.7958
9	S	H	0.1064
11	V	H	0.7661
12	L	H	1.3172
13	V	H	-0.0261
14	R	H	-1.7922
15	P	H	-1.4585
16	G	H	-1.1617
17	A	H	-0.9160
18	S	H	-0.9965
19	V	H	-0.6780
20	K	H	-1.4683
21	L	H	0.0000
22	S	H	-0.7339
23	C	H	0.0000
24	K	H	-1.5858
25	A	H	0.0000
26	S	H	-1.2323
27	G	H	-1.0500
28	Y	H	-0.4137
29	T	H	-0.1367
30	F	H	0.0000
35	T	H	-0.2845
36	S	H	-0.2434
37	S	H	0.0000
38	W	H	-0.1816
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	T	H	0.0000
43	K	H	0.0000
44	Q	H	-0.6848
45	R	H	-1.2949
46	P	H	-0.9771
47	G	H	-1.2679
48	Q	H	-1.6622
49	G	H	-1.0059
50	L	H	0.0000
51	E	H	-0.6605
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	E	H	0.0000
56	I	H	0.0000
57	H	H	-0.7502
58	P	H	0.0000
59	S	H	-0.7080
62	S	H	-0.9337
63	G	H	-1.2231
64	N	H	-1.7185
65	T	H	-0.9641
66	H	H	-0.9776
67	Y	H	-1.1131
68	N	H	0.0000
69	E	H	-3.7020
70	K	H	-3.3446
71	F	H	0.0000
72	K	H	-3.7513
74	D	H	-3.3002
75	K	H	-2.2951
76	A	H	0.0000
77	T	H	-0.9402
78	L	H	0.0000
79	T	H	-0.3498
80	V	H	-0.1065
81	D	H	-0.5306
82	T	H	-0.4356
83	S	H	-0.3946
84	S	H	-0.4884
85	T	H	-0.4788
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.3441
89	V	H	0.0000
90	D	H	-1.0207
91	L	H	0.0000
92	S	H	-1.0226
93	S	H	-1.0035
94	L	H	0.0000
95	T	H	-1.2984
96	S	H	-1.4150
97	E	H	-2.0092
98	D	H	0.0000
99	S	H	-0.5627
100	A	H	0.0000
101	V	H	-0.0070
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.3277
107	T	H	-0.3029
108	G	H	-0.5174
109	H	H	-0.8517
114	Y	H	-0.1889
115	F	H	0.0000
116	D	H	-0.2339
117	Y	H	-0.0515
118	W	H	-0.4592
119	G	H	0.0000
120	Q	H	-1.8041
121	G	H	0.0000
122	T	H	0.0000
123	T	H	0.0289
124	L	H	0.0000
125	T	H	0.0715
126	V	H	0.0000
127	S	H	-0.6723
128	S	H	-0.8368
1	E	L	-2.2503
2	I	L	0.0000
3	Q	L	-2.1936
4	M	L	0.0000
5	T	L	-1.2499
6	Q	L	0.0000
7	T	L	-0.5420
8	T	L	-0.4649
9	S	L	-0.7851
10	S	L	-1.0649
11	L	L	-0.5859
12	S	L	-0.8254
13	A	L	0.0000
14	S	L	-0.7048
15	L	L	-0.0172
16	G	L	-1.3761
17	D	L	-1.9837
18	R	L	-2.5363
19	V	L	0.0000
20	T	L	-0.5360
21	I	L	0.0000
22	S	L	-0.8286
23	C	L	0.0000
24	R	L	-2.9290
25	A	L	0.0000
26	S	L	-2.2505
27	Q	L	-2.7541
28	D	L	-2.8418
29	I	L	0.0000
36	S	L	-0.9320
37	N	L	-0.5904
38	Y	L	0.0857
39	L	L	0.0000
40	N	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	-1.2752
46	P	L	-1.3667
47	D	L	-2.1665
48	G	L	-1.3566
49	T	L	-1.1022
50	V	L	-0.5902
51	K	L	-0.5183
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.1044
56	Y	L	0.0175
57	T	L	0.0000
65	S	L	-0.8163
66	R	L	-1.3837
67	L	L	-0.3653
68	H	L	-0.5292
69	S	L	-0.5172
70	G	L	-0.4749
71	V	L	-0.1962
72	P	L	-0.2610
74	S	L	-0.3319
75	R	L	-1.1078
76	F	L	0.0000
77	S	L	-0.5831
78	G	L	0.0000
79	S	L	-0.8230
80	G	L	-1.0551
83	S	L	-1.2485
84	G	L	-1.7642
85	T	L	-2.3056
86	D	L	-2.3446
87	Y	L	0.0000
88	S	L	-0.7865
89	L	L	0.0000
90	T	L	-0.7671
91	I	L	0.0000
92	S	L	-1.9134
93	N	L	-2.4325
94	L	L	0.0000
95	E	L	-2.2060
96	Q	L	-1.8043
97	E	L	-1.8364
98	D	L	0.0000
99	I	L	-0.7538
100	A	L	0.0000
101	T	L	-0.9467
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	G	L	0.0587
108	D	L	-0.4132
109	T	L	0.0165
114	L	L	0.5106
115	P	L	-0.3914
116	F	L	0.0590
117	T	L	-0.4926
118	F	L	0.0000
119	G	L	0.0000
120	S	L	-0.9445
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.9625
124	L	L	0.0000
125	E	L	-1.1973
126	V	L	0.2286
127	K	L	-1.1105