Project name: 2D10D1

Chain sequence(s)	H: QAYLQQSGAELVRPGASVKMSCKTSGYTFTSYNMHWIKQTPRQGLEWIGAIYTGHGDTSYNQEFKGKATLTEDISSSTAYMQLSSLTSEDSAVYFCAREGVYDFDYALDYWGQGTSVTVSS; L: DIKMTQSPSSMYASLGERVTITCKASQDINSYLSWFQQKPGKSPKTLIYRAKRLVDGVPSRFSGSESGQDYSLTISSLEYEDMGIYYCLQYDEFPLTFGAGTKLELK
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                                          (00:01:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:19)

• Minimal score value: -2.9863
• Maximal score value: 1.7399
• Average score: -0.5291
• Total score value: -120.6358

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	-0.9774
2	A	H	0.0000
3	Y	H	0.4166
4	L	H	0.0000
5	Q	H	-1.5032
6	Q	H	0.0000
7	S	H	-0.9822
8	G	H	-0.7227
9	A	H	0.1083
11	E	H	0.3366
12	L	H	1.0833
13	V	H	-0.1000
14	R	H	-1.7838
15	P	H	-1.4797
16	G	H	-1.1532
17	A	H	-0.9169
18	S	H	-0.9379
19	V	H	-0.6206
20	K	H	-1.2522
21	M	H	0.0000
22	S	H	-0.7375
23	C	H	0.0000
24	K	H	-1.0835
25	T	H	0.0000
26	S	H	-0.5102
27	G	H	-0.5274
28	Y	H	-0.1391
29	T	H	-0.1449
30	F	H	0.0000
35	T	H	-0.0498
36	S	H	-0.0163
37	Y	H	0.0000
38	N	H	-0.3992
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	I	H	0.0000
43	K	H	0.0000
44	Q	H	-0.5379
45	T	H	0.0000
46	P	H	-1.3802
47	R	H	-2.4626
48	Q	H	-1.7360
49	G	H	-1.0147
50	L	H	0.0000
51	E	H	-0.6107
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	A	H	0.0000
56	I	H	0.0000
57	Y	H	-0.8885
58	T	H	0.0000
59	G	H	-0.7851
62	H	H	-1.5963
63	G	H	-1.5697
64	D	H	-2.2616
65	T	H	-1.0128
66	S	H	-0.3190
67	Y	H	-0.5971
68	N	H	-1.4278
69	Q	H	-2.5906
70	E	H	-2.9863
71	F	H	0.0000
72	K	H	-2.7849
74	G	H	-1.8527
75	K	H	-1.5147
76	A	H	0.0000
77	T	H	-0.7934
78	L	H	0.0000
79	T	H	-0.4378
80	E	H	-0.4179
81	D	H	0.1061
82	I	H	1.0706
83	S	H	0.3682
84	S	H	-0.0151
85	S	H	0.0930
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.3715
89	M	H	0.0000
90	Q	H	-1.0680
91	L	H	0.0000
92	S	H	-0.7816
93	S	H	-0.8298
94	L	H	0.0000
95	T	H	-1.1529
96	S	H	-1.2239
97	E	H	-1.6543
98	D	H	0.0000
99	S	H	-0.3445
100	A	H	0.0000
101	V	H	0.2886
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	E	H	0.0000
108	G	H	0.7422
109	V	H	1.1795
110	Y	H	1.2874
111	D	H	-0.0969
112A	F	H	1.7399
112	D	H	0.0000
113	Y	H	0.8468
114	A	H	0.0000
115	L	H	0.0000
116	D	H	-0.4588
117	Y	H	0.0975
118	W	H	-0.1726
119	G	H	0.0000
120	Q	H	-1.6532
121	G	H	-1.0145
122	T	H	0.0000
123	S	H	0.0170
124	V	H	0.0000
125	T	H	0.0174
126	V	H	0.0000
127	S	H	-0.6207
128	S	H	-0.7776
1	D	L	-2.1841
2	I	L	0.0000
3	K	L	-2.3836
4	M	L	0.0000
5	T	L	-0.9069
6	Q	L	0.0000
7	S	L	-0.4610
8	P	L	-0.4101
9	S	L	-0.4661
10	S	L	-0.2837
11	M	L	0.2287
12	Y	L	0.7105
13	A	L	0.0000
14	S	L	-0.7083
15	L	L	-0.3524
16	G	L	-1.1221
17	E	L	-2.0825
18	R	L	-2.3918
19	V	L	0.0000
20	T	L	-0.6313
21	I	L	0.0000
22	T	L	-0.5336
23	C	L	0.0000
24	K	L	-1.9048
25	A	L	0.0000
26	S	L	-2.0026
27	Q	L	-2.3122
28	D	L	-2.9206
29	I	L	0.0000
36	N	L	-2.0440
37	S	L	-1.5047
38	Y	L	-0.6373
39	L	L	0.0000
40	S	L	0.0000
41	W	L	0.0000
42	F	L	0.0000
43	Q	L	0.0000
44	Q	L	-0.9854
45	K	L	-1.4778
46	P	L	-1.1254
47	G	L	-1.5428
48	K	L	-2.5251
49	S	L	-1.5185
50	P	L	0.0000
51	K	L	-0.9671
52	T	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.3684
56	R	L	-0.7757
57	A	L	0.0000
65	K	L	-2.1242
66	R	L	-1.4989
67	L	L	-0.6230
68	V	L	-0.9403
69	D	L	-1.8944
70	G	L	-1.1597
71	V	L	-0.6261
72	P	L	-0.4425
74	S	L	-0.4864
75	R	L	-0.7572
76	F	L	0.0000
77	S	L	-0.7472
78	G	L	-1.0993
79	S	L	-1.3649
80	E	L	-1.7302
83	S	L	-1.1234
84	G	L	-1.8425
85	Q	L	-2.2252
86	D	L	-1.8126
87	Y	L	0.0000
88	S	L	-0.8056
89	L	L	0.0000
90	T	L	0.0000
91	I	L	0.0000
92	S	L	-1.4676
93	S	L	-1.5967
94	L	L	0.0000
95	E	L	-1.0166
96	Y	L	0.2004
97	E	L	-1.1846
98	D	L	0.0000
99	M	L	-0.2426
100	G	L	0.0000
101	I	L	-0.1200
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	Y	L	0.0000
108	D	L	-1.0046
109	E	L	-0.2644
114	F	L	1.0202
115	P	L	-0.0209
116	L	L	0.0000
117	T	L	-0.5318
118	F	L	-0.1381
119	G	L	0.0000
120	A	L	-0.3416
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.6156
124	L	L	0.0000
125	E	L	-0.0580
126	L	L	-0.1090
127	K	L	-1.1971