Project name: 14D2C11

Chain sequence(s)	H: QVQLQQSGPELVKPGALVKISCKTSGFTFTRYDINWVKLRPGQGLEWIGWIYPGDGSTNYNEKFKGKATLTADKSSSTAYMQLSSLTSENSAVYFCARQHYGYGDGAFVYWGQGTLVTVSA; L: DIVMSQSPSSLAVSVGEKVSVSCKSSQSLLHSSNQQNYLAWYQQKPGQSPKLLIYWASTRESGVPDRFTGSGSGTDFTLTISSVRAEDLAVYYCQQYYRYPRTFGGGTKLEMK
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                                          (00:01:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:26)

• Minimal score value: -3.4184
• Maximal score value: 1.1088
• Average score: -0.5692
• Total score value: -133.1832

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	-1.4161
2	V	H	-0.7520
3	Q	H	-1.5896
4	L	H	0.0000
5	Q	H	-2.0515
6	Q	H	0.0000
7	S	H	-0.8695
8	G	H	-0.6412
9	P	H	0.1343
11	E	H	0.2765
12	L	H	1.1088
13	V	H	0.1304
14	K	H	-1.3403
15	P	H	-1.1150
16	G	H	-0.7507
17	A	H	-0.0896
18	L	H	0.8233
19	V	H	0.0000
20	K	H	-0.6454
21	I	H	0.0000
22	S	H	-0.6102
23	C	H	0.0000
24	K	H	-1.4286
25	T	H	0.0000
26	S	H	-1.0715
27	G	H	-0.9101
28	F	H	-0.4911
29	T	H	-0.5426
30	F	H	0.0000
35	T	H	-1.4724
36	R	H	-1.9030
37	Y	H	-0.4693
38	D	H	0.0000
39	I	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	-0.2198
44	L	H	-0.2660
45	R	H	-0.9730
46	P	H	-0.8187
47	G	H	-1.0659
48	Q	H	-1.3087
49	G	H	-0.9271
50	L	H	0.0000
51	E	H	-0.7223
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	W	H	0.0916
56	I	H	0.0000
57	Y	H	-0.6180
58	P	H	0.0000
59	G	H	-1.7284
62	D	H	-2.2745
63	G	H	-1.3258
64	S	H	-0.7617
65	T	H	-0.3884
66	N	H	-0.5561
67	Y	H	-1.1827
68	N	H	0.0000
69	E	H	-3.4184
70	K	H	-3.1461
71	F	H	0.0000
72	K	H	-3.0797
74	G	H	-1.9936
75	K	H	-1.4790
76	A	H	0.0000
77	T	H	-0.6700
78	L	H	0.0000
79	T	H	-0.3266
80	A	H	-0.8845
81	D	H	-1.3221
82	K	H	-1.8426
83	S	H	-0.9996
84	S	H	-0.8640
85	S	H	-0.9575
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.1846
89	M	H	0.0000
90	Q	H	-0.3917
91	L	H	0.0000
92	S	H	-0.0154
93	S	H	-0.3393
94	L	H	0.0000
95	T	H	-1.1029
96	S	H	-1.4487
97	E	H	-2.0179
98	N	H	0.0000
99	S	H	-0.3863
100	A	H	0.0000
101	V	H	0.5249
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	Q	H	0.0000
108	H	H	-0.1744
109	Y	H	0.1968
110	G	H	0.0666
111	Y	H	1.0806
112A	G	H	0.0000
112	D	H	-0.0585
113	G	H	0.0000
114	A	H	0.0000
115	F	H	0.0000
116	V	H	0.0000
117	Y	H	0.2393
118	W	H	-0.4071
119	G	H	0.0000
120	Q	H	-1.7050
121	G	H	-0.7370
122	T	H	0.0000
123	L	H	1.0507
124	V	H	0.0000
125	T	H	0.2141
126	V	H	0.0000
127	S	H	-0.4102
128	A	H	-0.5155
1	D	L	-1.7300
2	I	L	0.0000
3	V	L	0.6670
4	M	L	0.0000
5	S	L	-0.7681
6	Q	L	-0.9943
7	S	L	-0.8598
8	P	L	-0.5412
9	S	L	-0.6184
10	S	L	-0.5434
11	L	L	-0.2788
12	A	L	-0.5245
13	V	L	0.0000
14	S	L	-0.8653
15	V	L	-0.0504
16	G	L	-0.8232
17	E	L	-2.0537
18	K	L	-2.4092
19	V	L	0.0000
20	S	L	-0.5169
21	V	L	0.0000
22	S	L	-0.9340
23	C	L	0.0000
24	K	L	-2.2658
25	S	L	0.0000
26	S	L	-0.9632
27	Q	L	-1.5474
28	S	L	-1.0653
29	L	L	0.0000
30	L	L	-0.5961
31	H	L	-0.9969
32	S	L	-1.1378
33	S	L	-1.2058
34	N	L	-1.8746
35	Q	L	-1.9939
36	Q	L	-1.3452
37	N	L	0.0000
38	Y	L	0.0000
39	L	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	0.0000
45	K	L	-1.5207
46	P	L	-1.0389
47	G	L	-1.4911
48	Q	L	-2.0946
49	S	L	-1.2613
50	P	L	0.0000
51	K	L	-0.9224
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.1457
56	W	L	-0.3045
57	A	L	0.0000
65	S	L	-0.4891
66	T	L	-0.4783
67	R	L	-1.1941
68	E	L	-0.8408
69	S	L	-0.7071
70	G	L	-0.9667
71	V	L	0.0000
72	P	L	-1.3796
74	D	L	-2.2659
75	R	L	-1.7648
76	F	L	0.0000
77	T	L	-0.8507
78	G	L	0.0000
79	S	L	-0.6162
80	G	L	-1.0575
83	S	L	-0.8925
84	G	L	-1.1184
85	T	L	-1.6047
86	D	L	-2.2017
87	F	L	0.0000
88	T	L	-0.7867
89	L	L	0.0000
90	T	L	-0.6001
91	I	L	0.0000
92	S	L	-1.7626
93	S	L	-1.5776
94	V	L	0.0000
95	R	L	-1.4279
96	A	L	-1.0301
97	E	L	-1.8823
98	D	L	0.0000
99	L	L	-0.5179
100	A	L	0.0000
101	V	L	-0.1861
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	Y	L	0.0000
108	Y	L	-0.3497
109	R	L	-0.9058
114	Y	L	-0.3902
115	P	L	-0.9249
116	R	L	0.0000
117	T	L	-0.1552
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.7664
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.8516
124	L	L	0.0000
125	E	L	-0.8269
126	M	L	-0.4993
127	K	L	-1.4613