Project name: 17.26G7

Chain sequence(s)	H: EFQLQQSGPELVKPGASVKISCKASGYSFLDYNLNWVKQSNGKSLEWIGGINPKFGTTTYSQTFRGKATLTVDRSSTTAYMQLNGLTSEDSTVFYCAVLDYFDYWGQGTTLTVSS; L: DIVLTQSPASLAVSLGQKATISCKASKKVTFFGSLSALHWYQQKPGQPPKLIYNGAKLESGVSARFSDSGSQNRSPFGSQLSFTLTIDPVEADDAATYYCLQNKEVPYTFGGGTKLEIK
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                                          (00:01:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:49)

• Minimal score value: -3.4485
• Maximal score value: 2.0717
• Average score: -0.5851
• Total score value: -136.9154

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	-1.6521
2	F	H	-0.3182
3	Q	H	-1.2301
4	L	H	0.0000
5	Q	H	-1.9592
6	Q	H	-1.2978
7	S	H	-0.9940
8	G	H	-0.8374
9	P	H	-0.2499
11	E	H	0.1440
12	L	H	1.0057
13	V	H	-0.0899
14	K	H	-1.6300
15	P	H	-1.3378
16	G	H	-1.2104
17	A	H	-0.9809
18	S	H	-1.0609
19	V	H	0.0000
20	K	H	-1.0301
21	I	H	0.0000
22	S	H	-0.5420
23	C	H	0.0000
24	K	H	-1.1637
25	A	H	0.0000
26	S	H	-0.8840
27	G	H	-0.8246
28	Y	H	-0.4785
29	S	H	-0.4641
30	F	H	0.0000
35	L	H	-1.0215
36	D	H	-2.1044
37	Y	H	-1.5352
38	N	H	-1.6457
39	L	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	0.0000
44	Q	H	0.0000
45	S	H	-1.3613
46	N	H	-1.8376
47	G	H	-1.6534
48	K	H	-1.9152
49	S	H	-1.1504
50	L	H	0.0000
51	E	H	-0.3694
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	G	H	-0.2502
56	I	H	0.0000
57	N	H	-0.6354
58	P	H	0.0000
59	K	H	-1.0395
62	F	H	1.0317
63	G	H	0.0454
64	T	H	0.0888
65	T	H	0.0676
66	T	H	-0.0838
67	Y	H	-0.3573
68	S	H	0.0000
69	Q	H	-1.8910
70	T	H	-1.2913
71	F	H	0.0000
72	R	H	-2.5436
74	G	H	-1.7924
75	K	H	-1.5843
76	A	H	0.0000
77	T	H	-0.7368
78	L	H	0.0000
79	T	H	-0.2503
80	V	H	-0.3426
81	D	H	-1.2299
82	R	H	-1.8253
83	S	H	-1.0581
84	S	H	-0.8430
85	T	H	-0.8247
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.0072
89	M	H	0.0000
90	Q	H	-0.8322
91	L	H	0.0000
92	N	H	-1.1004
93	G	H	-1.1586
94	L	H	0.0000
95	T	H	-1.3500
96	S	H	-1.4874
97	E	H	-1.9772
98	D	H	0.0000
99	S	H	-0.7209
100	T	H	0.0000
101	V	H	-0.1861
102	F	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	V	H	0.0000
107	L	H	-0.5084
108	D	H	-1.2912
114	Y	H	0.3138
115	F	H	-0.0286
116	D	H	0.0000
117	Y	H	0.2714
118	W	H	-0.3072
119	G	H	0.0000
120	Q	H	-1.6904
121	G	H	-0.9470
122	T	H	0.0000
123	T	H	0.0229
124	L	H	0.0000
125	T	H	-0.0819
126	V	H	0.0000
127	S	H	-0.5430
128	S	H	-0.7275
1	D	L	-1.5940
2	I	L	0.0000
3	V	L	0.7412
4	L	L	0.0000
5	T	L	-0.4080
6	Q	L	-0.6201
7	S	L	-0.7189
8	P	L	-0.3506
9	A	L	-0.3667
10	S	L	-0.6727
11	L	L	-0.5427
12	A	L	-0.7581
13	V	L	-0.9792
14	S	L	-1.4317
15	L	L	-1.3455
16	G	L	-1.9471
17	Q	L	-2.8070
18	K	L	-3.2365
19	A	L	0.0000
20	T	L	-0.7184
21	I	L	0.0000
22	S	L	-0.3457
23	C	L	0.0000
24	K	L	-1.9077
25	A	L	0.0000
26	S	L	-1.3275
27	K	L	-2.7951
28	K	L	-3.0526
29	V	L	0.0000
30	T	L	-0.6490
31	F	L	0.9782
32	F	L	2.0717
34	G	L	0.8337
35	S	L	0.7970
36	L	L	0.9765
37	S	L	0.0000
38	A	L	-0.5485
39	L	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-1.0271
45	K	L	-1.1961
46	P	L	-0.8298
47	G	L	-1.1051
48	Q	L	-1.3002
49	P	L	-0.9689
50	P	L	0.0000
51	K	L	-1.0133
53	L	L	-0.1503
54	I	L	0.0000
55	Y	L	0.0000
56	N	L	-0.2845
57	G	L	0.0000
65	A	L	0.0000
66	K	L	-0.7631
67	L	L	-0.2272
68	E	L	-0.1655
69	S	L	0.5217
70	G	L	0.5348
71	V	L	1.3813
72	S	L	0.0960
74	A	L	-0.4839
75	R	L	-1.4245
76	F	L	-0.9930
77	S	L	-1.0983
78	D	L	-2.1705
79	S	L	-1.5708
80	G	L	-1.3170
81	S	L	-1.5869
81A	Q	L	-1.8444
81B	N	L	-1.7438
81C	R	L	0.0000
81D	S	L	0.1389
81E	P	L	0.7252
81F	F	L	1.5030
82	G	L	0.0000
83	S	L	-0.6359
84	Q	L	-2.1303
85	L	L	-1.4854
86	S	L	-1.0892
87	F	L	0.0000
88	T	L	0.1711
89	L	L	0.0000
90	T	L	-0.9277
91	I	L	0.0000
92	D	L	-3.4485
93	P	L	-2.8116
94	V	L	0.0000
95	E	L	-2.8719
96	A	L	-1.9420
97	D	L	-2.3432
98	D	L	-1.9003
99	A	L	-1.5055
100	A	L	0.0000
101	T	L	0.0000
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	L	L	0.0000
106	Q	L	0.0000
107	N	L	-0.3084
108	K	L	-0.4262
109	E	L	-1.1460
114	V	L	0.5027
115	P	L	-0.0204
116	Y	L	0.2361
117	T	L	0.1112
118	F	L	0.2901
119	G	L	0.0000
120	G	L	-0.5614
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.3416
124	L	L	0.0000
125	E	L	-1.7733
126	I	L	-1.4437
127	K	L	-1.6627