Project name: Thiago da Silva

Chain sequence(s)	H: TVTLDESGGGLQTPGGGLSLVCKASGFTFSDRGMYWVRQAPGKGLEFVAGISGSSGRHTKYGAAVKGRATISRDNGQSTVRLQLNNLRAEDTATYFCAKGTSGYSNSVGEIDVWGHGTEVIVSS; L: LTQPSSVSANLGGTVKLTCSGGNYRYGWYQQKSPGSAPVTLIYSNDKRPSDIPSRFSGSKSGSTGTLTITGVQAEDEAVYFCGDWDKTYNAGIFGAGTTLTVL
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                                          (00:02:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:11)

• Minimal score value: -3.2705
• Maximal score value: 1.7234
• Average score: -0.6452
• Total score value: -146.4516

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	T	H	-0.3393
2	V	H	0.6714
3	T	H	-0.4138
4	L	H	0.0000
5	D	H	-2.5932
6	E	H	0.0000
7	S	H	-1.4223
8	G	H	-0.7727
9	G	H	-0.5093
11	G	H	0.1139
12	L	H	1.2942
13	Q	H	0.1473
14	T	H	-0.4995
15	P	H	-1.1270
16	G	H	-1.6844
17	G	H	-1.4167
18	G	H	-1.4917
19	L	H	0.0000
20	S	H	-0.8053
21	L	H	0.0000
22	V	H	-1.2596
23	C	H	0.0000
24	K	H	-2.8165
25	A	H	-1.2115
26	S	H	-0.4255
27	G	H	0.5469
28	F	H	1.7234
29	T	H	0.3721
30	F	H	0.0000
35	S	H	-1.1108
36	D	H	-1.3770
37	R	H	-0.6777
38	G	H	-0.6925
39	M	H	0.0000
40	Y	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	0.0000
45	A	H	-1.2691
46	P	H	-1.2883
47	G	H	-1.5619
48	K	H	-2.1771
49	G	H	-1.1756
50	L	H	0.0000
51	E	H	-0.3592
52	F	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	G	H	0.0000
56	I	H	-0.7266
57	S	H	-1.2345
58	G	H	0.0000
59	S	H	-1.2219
60	S	H	-1.2262
62	G	H	-1.7479
63	R	H	-2.5395
64	H	H	-2.0689
65	T	H	-1.1117
66	K	H	-0.6046
67	Y	H	-0.5965
68	G	H	-0.4410
69	A	H	-0.4769
70	A	H	-1.2487
71	V	H	0.0000
72	K	H	-2.1801
74	G	H	-1.8157
75	R	H	-2.2168
76	A	H	0.0000
77	T	H	-1.0865
78	I	H	0.0000
79	S	H	-1.4240
80	R	H	-2.0291
81	D	H	-2.3266
82	N	H	-1.9752
83	G	H	-1.6947
84	Q	H	-2.2058
85	S	H	-1.6517
86	T	H	-2.2518
87	V	H	0.0000
88	R	H	-2.2850
89	L	H	0.0000
90	Q	H	-1.1056
91	L	H	0.0000
92	N	H	-2.2329
93	N	H	-2.4992
94	L	H	0.0000
95	R	H	-2.8772
96	A	H	-1.6355
97	E	H	-2.4173
98	D	H	0.0000
99	T	H	-0.7466
100	A	H	-0.9247
101	T	H	-0.9966
102	Y	H	0.0000
103	F	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	K	H	-0.2828
107	G	H	0.0000
108	T	H	-0.2517
109	S	H	0.0000
110	G	H	-0.1327
111	Y	H	0.6544
111A	S	H	-0.3716
112B	N	H	-1.2866
112A	S	H	-0.9257
112	V	H	-0.4541
113	G	H	-0.2414
114	E	H	0.0000
115	I	H	0.0000
116	D	H	-0.3240
117	V	H	0.0000
118	W	H	0.0000
119	G	H	0.0000
120	H	H	-1.5741
121	G	H	-1.4195
122	T	H	-1.4942
123	E	H	-1.5569
124	V	H	0.0000
125	I	H	0.7911
126	V	H	0.0000
127	S	H	-0.1112
128	S	H	-0.1081
4	L	L	0.3984
5	T	L	-0.0179
6	Q	L	0.0000
7	P	L	-0.2361
8	S	L	-0.2587
9	S	L	-0.2226
11	V	L	-0.1886
12	S	L	-0.4039
13	A	L	-0.2340
14	N	L	-0.2297
15	L	L	0.5647
16	G	L	-0.2728
17	G	L	-0.4879
18	T	L	-0.6581
19	V	L	0.0000
20	K	L	-1.6606
21	L	L	0.0000
22	T	L	-0.7072
23	C	L	0.0000
24	S	L	-0.5568
25	G	L	-0.2219
26	G	L	-0.5662
27	N	L	-0.6456
28	Y	L	0.2346
38	R	L	-0.8196
39	Y	L	0.0000
40	G	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.4759
44	Q	L	0.0000
45	K	L	-2.3169
45A	S	L	-1.5682
46	P	L	-1.2822
47	G	L	-1.2950
48	S	L	-0.9286
49	A	L	-0.5763
50	P	L	0.0000
51	V	L	0.4564
52	T	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.0000
56	S	L	-1.2487
57	N	L	-1.9262
65	D	L	-3.2705
66	K	L	-3.0177
67	R	L	-2.4798
68	P	L	-1.3805
69	S	L	-1.4305
70	D	L	-2.0074
71	I	L	-0.9579
72	P	L	-0.7279
74	S	L	-0.4536
75	R	L	0.0000
76	F	L	0.0000
77	S	L	-1.3249
78	G	L	-2.0910
79	S	L	-1.9223
80	K	L	-2.2903
83	S	L	-1.2119
84	G	L	-0.9060
85	S	L	-0.7495
86	T	L	-0.8819
87	G	L	0.0000
88	T	L	-1.2778
89	L	L	0.0000
90	T	L	0.0000
91	I	L	0.0000
92	T	L	-0.5767
93	G	L	-0.4469
94	V	L	0.0000
95	Q	L	-1.0245
96	A	L	-1.1034
97	E	L	-2.6178
98	D	L	0.0000
99	E	L	-2.4666
100	A	L	0.0000
101	V	L	-0.5927
102	Y	L	0.0000
103	F	L	0.0000
104	C	L	0.0000
105	G	L	0.2205
106	D	L	0.0000
107	W	L	-0.2203
108	D	L	-0.6260
109	K	L	-1.6050
110	T	L	-0.3881
113	Y	L	0.6603
114	N	L	-0.2899
115	A	L	0.0969
116	G	L	0.2172
117	I	L	0.7726
118	F	L	0.5378
119	G	L	0.0000
120	A	L	-0.1207
121	G	L	0.0000
122	T	L	0.0000
123	T	L	-0.5610
124	L	L	0.0000
125	T	L	-0.1149
126	V	L	-0.0123
127	L	L	1.0643