Project name: Ivonne 3M

Chain sequence(s)	A: MAVGFLSNTTSSGDTWIDGYRSMNATVTKAAKVENGFKFTGPGSRATWPVNSRWDIKQYGFVDYNFTIVAMATIHQVPSESTPLLGASLRGNKRTKLIGLSYGAGGKWETVYDGTKTVQGGTWEPGREYQVALMLQDGNKGFVYVDGKLKGNPAMLPTPEERWTEFSHFYFGGDEGDSGSDATLTDVFLYNR
Selected Chain(s)	A
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 A 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                                          (00:02:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:13)

• Minimal score value: -3.5546
• Maximal score value: 0.9005
• Average score: -0.7997
• Total score value: -153.5516

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	M	A	0.6554
2	A	A	0.4798
3	V	A	0.2089
4	G	A	0.0000
5	F	A	0.1916
6	L	A	0.0000
7	S	A	-1.5302
8	N	A	-2.1482
9	T	A	0.0000
10	T	A	-1.0379
11	S	A	-0.9809
12	S	A	-1.1091
13	G	A	-1.7511
14	D	A	-2.4493
15	T	A	-1.3798
16	W	A	0.0000
17	I	A	-0.6260
18	D	A	0.0000
19	G	A	-0.2853
20	Y	A	0.5710
21	R	A	-0.4965
22	S	A	-0.4250
23	M	A	-0.3620
24	N	A	-0.7628
25	A	A	0.0000
26	T	A	-0.6869
27	V	A	0.0000
28	T	A	-1.5080
29	K	A	-2.4638
30	A	A	-1.8967
31	A	A	-1.5533
32	K	A	-2.7686
33	V	A	-1.9556
34	E	A	-2.9027
35	N	A	-2.6478
36	G	A	0.0000
37	F	A	0.0000
38	K	A	-1.6861
39	F	A	0.0000
40	T	A	-1.1398
41	G	A	0.0000
42	P	A	-1.3466
43	G	A	-1.6389
44	S	A	0.0000
45	R	A	-1.3994
46	A	A	0.0000
47	T	A	0.0000
48	W	A	0.0000
49	P	A	-0.3756
50	V	A	0.0000
51	N	A	-1.2818
52	S	A	-1.3949
53	R	A	-1.9181
54	W	A	-0.4461
55	D	A	-1.2012
56	I	A	-0.0830
57	K	A	-1.5179
58	Q	A	-1.0093
59	Y	A	0.0000
60	G	A	-0.3486
61	F	A	-0.2196
62	V	A	0.0000
63	D	A	0.0000
64	Y	A	-0.1594
65	N	A	-1.2008
66	F	A	0.0000
67	T	A	0.0000
68	I	A	0.0000
69	V	A	0.1896
70	A	A	0.0000
71	M	A	-0.9694
72	A	A	0.0000
73	T	A	-1.9912
74	I	A	0.0000
75	H	A	-1.5911
76	Q	A	-0.8850
77	V	A	0.5043
78	P	A	-0.4199
79	S	A	-0.9160
80	E	A	-1.8662
81	S	A	-0.9652
82	T	A	0.0000
83	P	A	0.0000
84	L	A	0.0000
85	L	A	0.0000
86	G	A	0.0000
87	A	A	0.0000
88	S	A	0.0000
89	L	A	0.0000
90	R	A	-2.4460
91	G	A	-2.5290
92	N	A	-2.8895
93	K	A	-3.5385
94	R	A	-3.5546
95	T	A	-2.6154
96	K	A	-1.9467
97	L	A	0.0000
98	I	A	0.0000
99	G	A	0.0000
100	L	A	0.0000
101	S	A	0.0000
102	Y	A	0.0000
103	G	A	0.0000
104	A	A	-0.5205
105	G	A	-0.6179
106	G	A	-0.7147
107	K	A	-1.0584
108	W	A	0.0000
109	E	A	0.0000
110	T	A	0.0000
111	V	A	0.0000
112	Y	A	-0.7763
113	D	A	-1.6821
114	G	A	-1.8498
115	T	A	-1.1468
116	K	A	-0.6740
117	T	A	0.2609
118	V	A	0.9005
119	Q	A	-0.2324
120	G	A	-0.7724
121	G	A	-1.0408
122	T	A	-0.9748
123	W	A	0.0000
124	E	A	-1.6874
125	P	A	-1.6871
126	G	A	-2.3577
127	R	A	-3.2474
128	E	A	-3.2635
129	Y	A	0.0000
130	Q	A	-1.8979
131	V	A	0.0000
132	A	A	0.0000
133	L	A	0.0000
134	M	A	-0.2619
135	L	A	0.0000
136	Q	A	-1.5938
137	D	A	-2.1517
138	G	A	0.0000
139	N	A	-0.9084
140	K	A	-0.7939
141	G	A	0.0000
142	F	A	0.0935
143	V	A	0.0000
144	Y	A	-0.6637
145	V	A	0.0000
146	D	A	-2.3116
147	G	A	-1.8580
148	K	A	-2.1563
149	L	A	-0.9217
150	K	A	-0.8964
151	G	A	-0.9874
152	N	A	-1.2523
153	P	A	-0.4891
154	A	A	-0.1869
155	M	A	0.4419
156	L	A	0.0000
157	P	A	-0.9816
158	T	A	-1.2982
159	P	A	-1.4412
160	E	A	-2.4748
161	E	A	-2.4062
162	R	A	0.0000
163	W	A	-0.2910
164	T	A	-0.8350
165	E	A	-1.5076
166	F	A	0.0000
167	S	A	-1.1760
168	H	A	-0.6438
169	F	A	0.0000
170	Y	A	0.0000
171	F	A	0.0000
172	G	A	0.0000
173	G	A	0.0000
174	D	A	-1.7837
175	E	A	-2.5595
176	G	A	-1.9217
177	D	A	-2.0244
178	S	A	-1.5055
179	G	A	-1.5113
180	S	A	0.0000
181	D	A	-1.0032
182	A	A	0.0000
183	T	A	-0.8995
184	L	A	0.0000
185	T	A	-1.2938
186	D	A	-1.5058
187	V	A	0.0000
188	F	A	0.4201
189	L	A	0.0000
190	Y	A	-0.4650
191	N	A	-1.6986
192	R	A	-2.3884