Project name: WT_Ivonne3M

Chain sequence(s)	A: MAVGFLSNTTSSGDTWIDGYRCMNATVTKAAKVENGFKFTGPGSRATWPVNSRWDIKQYGFVDYNFTIVAMATIHQVPSESTPLLGASLRGNKRTKLIGLSYGAGGKWETVYDGTKTVQGGTWEPGREYQVALMLQDGNKGFVYVDGVLVGNPAMLPTPEERWTEFSHFYFGGDEGDSGSDATLTDVFLYNR
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                                          (00:02:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:20)

• Minimal score value: -3.5017
• Maximal score value: 1.2441
• Average score: -0.7491
• Total score value: -143.8182

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	0.7825
2	A	A	0.6005
3	V	A	0.5042
4	G	A	0.0000
5	F	A	0.2026
6	L	A	0.0000
7	S	A	-1.2128
8	N	A	-1.9705
9	T	A	-1.7088
10	T	A	-1.0343
11	S	A	-1.0063
12	S	A	-1.1323
13	G	A	-1.7759
14	D	A	-2.5249
15	T	A	-1.5352
16	W	A	0.0000
17	I	A	-0.8499
18	D	A	0.0000
19	G	A	-0.3057
20	Y	A	0.3215
21	R	A	-1.2367
22	C	A	-0.3802
23	M	A	-0.4773
24	N	A	-1.1864
25	A	A	0.0000
26	T	A	-0.8004
27	V	A	0.0000
28	T	A	-1.4740
29	K	A	-2.3791
30	A	A	-1.7595
31	A	A	-1.4581
32	K	A	-2.6685
33	V	A	-1.6151
34	E	A	-2.5574
35	N	A	-2.1077
36	G	A	0.0000
37	F	A	0.0000
38	K	A	-1.2967
39	F	A	0.0000
40	T	A	-0.9476
41	G	A	-1.2597
42	P	A	-2.0488
43	G	A	-1.8093
44	S	A	0.0000
45	R	A	-1.2384
46	A	A	0.0000
47	T	A	-0.3806
48	W	A	0.0000
49	P	A	-0.3609
50	V	A	0.0000
51	N	A	0.0000
52	S	A	-1.4125
53	R	A	-1.7863
54	W	A	-0.3982
55	D	A	-1.1810
56	I	A	0.0482
57	K	A	-1.5739
58	Q	A	-0.9774
59	Y	A	0.0000
60	G	A	-0.3925
61	F	A	-0.1583
62	V	A	0.0000
63	D	A	0.0000
64	Y	A	-0.1468
65	N	A	-1.1400
66	F	A	0.0000
67	T	A	0.0000
68	I	A	0.0000
69	V	A	0.2319
70	A	A	0.0000
71	M	A	-0.8575
72	A	A	0.0000
73	T	A	-1.7085
74	I	A	0.0000
75	H	A	-1.4418
76	Q	A	-1.0000
77	V	A	0.3352
78	P	A	0.0000
79	S	A	-1.2224
80	E	A	-2.2814
81	S	A	-1.1433
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	-2.1897
91	G	A	-2.3935
92	N	A	-2.8303
93	K	A	-3.4886
94	R	A	-3.5017
95	T	A	-2.5059
96	K	A	-1.8073
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	-0.5356
105	G	A	-0.5914
106	G	A	-0.7672
107	K	A	-1.2554
108	W	A	0.0000
109	E	A	0.0000
110	T	A	0.0000
111	V	A	0.0000
112	Y	A	-0.8920
113	D	A	-1.7893
114	G	A	-2.0009
115	T	A	-1.3928
116	K	A	-1.1113
117	T	A	0.1154
118	V	A	0.9250
119	Q	A	-0.2720
120	G	A	-0.7567
121	G	A	-0.5295
122	T	A	-1.2215
123	W	A	0.0000
124	E	A	-2.3132
125	P	A	-1.7851
126	G	A	-2.0795
127	R	A	-2.4540
128	E	A	-2.8898
129	Y	A	0.0000
130	Q	A	-1.6591
131	V	A	0.0000
132	A	A	0.0000
133	L	A	0.0000
134	M	A	-0.2658
135	L	A	0.0000
136	Q	A	-1.5882
137	D	A	-2.1606
138	G	A	0.0000
139	N	A	-0.8914
140	K	A	-0.8155
141	G	A	0.0000
142	F	A	0.1210
143	V	A	0.0000
144	Y	A	0.4967
145	V	A	0.0000
146	D	A	-1.4489
147	G	A	-0.2689
148	V	A	1.2441
149	L	A	0.7395
150	V	A	0.0000
151	G	A	-0.4297
152	N	A	-1.2349
153	P	A	-0.4297
154	A	A	-0.1569
155	M	A	0.4434
156	L	A	0.0000
157	P	A	-1.0215
158	T	A	-1.3283
159	P	A	-1.3115
160	E	A	-2.5228
161	E	A	-2.4985
162	R	A	-1.4784
163	W	A	-0.3911
164	T	A	-0.8828
165	E	A	-1.2130
166	F	A	0.0000
167	S	A	-1.0307
168	H	A	-0.5164
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	-1.8355
175	E	A	-2.9148
176	G	A	-2.6488
177	D	A	-2.9446
178	S	A	0.0000
179	G	A	-1.4647
180	S	A	0.0000
181	D	A	-0.6849
182	A	A	0.0000
183	T	A	-0.6526
184	L	A	0.0000
185	T	A	-0.9996
186	D	A	-1.2774
187	V	A	0.0000
188	F	A	0.6143
189	L	A	0.0000
190	Y	A	-0.2744
191	N	A	-1.3870
192	R	A	-2.2403