Project name: 19.21G12

Chain sequence(s)	H: EFQLQQSGPELVKPGASVKISCKASGYSFLDYNLNWVKQSNGKSLEWIGGINPKFGTTTYSQTFRGKATLTVDRSSTTAYMQLNGLTSEDSTVFYCAVLDYFDYWGQGTTLTVSS; L: DIVMTQSPATLSVTPGDRVSLSCRASQSISDYLHWYQQKSHESPRLLIKYASQSISGIPSRFSGSGSGSDFTLSINSVEPEDVGVYYCQNGHSFPLTFGAGTKLELK
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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:09)

• Minimal score value: -2.8765
• Maximal score value: 1.3259
• Average score: -0.5858
• Total score value: -130.0436

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	-1.6398
2	F	H	-0.4600
3	Q	H	-1.2215
4	L	H	0.0000
5	Q	H	-1.9033
6	Q	H	0.0000
7	S	H	-1.0732
8	G	H	-0.9035
9	P	H	-0.4866
11	E	H	-0.3796
12	L	H	0.7699
13	V	H	-0.2262
14	K	H	-1.6383
15	P	H	-1.5696
16	G	H	-1.2154
17	A	H	-0.9752
18	S	H	-1.0567
19	V	H	0.0000
20	K	H	-1.3004
21	I	H	0.0000
22	S	H	-0.6268
23	C	H	0.0000
24	K	H	-1.4004
25	A	H	0.0000
26	S	H	-0.9461
27	G	H	-0.8532
28	Y	H	-0.5148
29	S	H	-0.4679
30	F	H	0.0000
35	L	H	-1.2406
36	D	H	-1.7273
37	Y	H	-1.1829
38	N	H	-1.4138
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	-1.0161
45	S	H	-1.7000
46	N	H	-2.0265
47	G	H	-1.8527
48	K	H	-2.4339
49	S	H	-1.2307
50	L	H	0.0000
51	E	H	-0.6948
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	G	H	-0.2854
56	I	H	0.0000
57	N	H	-0.5606
58	P	H	0.0000
59	K	H	-0.9380
62	F	H	1.1037
63	G	H	-0.0231
64	T	H	0.0503
65	T	H	-0.0101
66	T	H	-0.1238
67	Y	H	-0.4374
68	S	H	0.0000
69	Q	H	-1.7855
70	T	H	-1.2039
71	F	H	-1.3369
72	R	H	-2.4254
74	G	H	-1.7052
75	K	H	-1.4368
76	A	H	0.0000
77	T	H	-0.7427
78	L	H	0.0000
79	T	H	-0.3310
80	V	H	-0.4611
81	D	H	-1.4264
82	R	H	-2.2997
83	S	H	-1.2426
84	S	H	-1.0122
85	T	H	-1.0787
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.1698
89	M	H	0.0000
90	Q	H	-0.8954
91	L	H	0.0000
92	N	H	-1.0954
93	G	H	-1.1873
94	L	H	0.0000
95	T	H	-1.3335
96	S	H	-1.4424
97	E	H	-1.9672
98	D	H	0.0000
99	S	H	-0.7501
100	T	H	0.0000
101	V	H	-0.1973
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	-0.3644
108	D	H	-1.1469
114	Y	H	0.1390
115	F	H	0.0000
116	D	H	-0.2407
117	Y	H	-0.0200
118	W	H	-0.3505
119	G	H	0.0000
120	Q	H	-1.7588
121	G	H	-1.0145
122	T	H	0.0000
123	T	H	-0.3442
124	L	H	0.0000
125	T	H	-0.1990
126	V	H	0.0000
127	S	H	-0.5263
128	S	H	-0.6504
1	D	L	-1.2843
2	I	L	0.0000
3	V	L	0.8059
4	M	L	0.0000
5	T	L	-0.5114
6	Q	L	0.0000
7	S	L	-0.6479
8	P	L	-0.3407
9	A	L	-0.2470
10	T	L	-0.4617
11	L	L	-0.3158
12	S	L	-0.6254
13	V	L	0.0000
14	T	L	-1.3304
15	P	L	-1.4894
16	G	L	-1.7054
17	D	L	-2.1475
18	R	L	-2.8765
19	V	L	0.0000
20	S	L	-0.8263
21	L	L	0.0000
22	S	L	-0.8993
23	C	L	0.0000
24	R	L	-2.3306
25	A	L	0.0000
26	S	L	-0.8769
27	Q	L	-1.3775
28	S	L	-1.2975
29	I	L	0.0000
36	S	L	-0.8373
37	D	L	-0.9346
38	Y	L	-0.0222
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	-0.7113
45	K	L	-0.9963
46	S	L	-0.9177
47	H	L	-1.6969
48	E	L	-1.7067
49	S	L	-1.0701
50	P	L	0.0000
51	R	L	-0.6932
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	K	L	-0.5115
56	Y	L	-0.1379
57	A	L	0.0000
65	S	L	-0.7966
66	Q	L	-1.1923
67	S	L	-0.8324
68	I	L	0.0000
69	S	L	-0.5972
70	G	L	-0.5246
71	I	L	-0.2774
72	P	L	-0.3068
74	S	L	-0.6062
75	R	L	-1.1004
76	F	L	0.0000
77	S	L	-0.7255
78	G	L	-0.5371
79	S	L	-0.7608
80	G	L	-1.0698
83	S	L	-1.1434
84	G	L	-1.2541
85	S	L	-1.8379
86	D	L	-2.3038
87	F	L	0.0000
88	T	L	-0.8029
89	L	L	0.0000
90	S	L	0.0000
91	I	L	0.0000
92	N	L	-2.2939
93	S	L	-1.9392
94	V	L	0.0000
95	E	L	-1.6147
96	P	L	-1.0841
97	E	L	-1.0782
98	D	L	0.0000
99	V	L	-0.0715
100	G	L	-0.4044
101	V	L	-0.1188
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	N	L	0.0000
107	G	L	0.0072
108	H	L	-0.1973
109	S	L	0.3707
114	F	L	1.3259
115	P	L	0.3738
116	L	L	0.0000
117	T	L	0.1995
118	F	L	0.0000
119	G	L	0.0000
120	A	L	-0.2261
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.9419
124	L	L	0.0000
125	E	L	-0.6403
126	L	L	-0.5957
127	K	L	-1.5886