Project name: 2303_4

Chain sequence(s)	A: PLGLRNFCFAGDDRGHTRDIADRLAAAAPELTVHRVPYSLGPDAYLQAIRDAAAAGADVVVLGGSWPSVYDEARAALDGGAKRVIGIAGPDRIEDPATRAAVDRVKRELPEFSLQFFADEGAARDRDIDAFVAQLLAWAGRS
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:25)

• Minimal score value: -4.1148
• Maximal score value: 0.8251
• Average score: -1.1497
• Total score value: -163.2568

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	P	A	-0.3079
2	L	A	0.8251
3	G	A	-0.3778
4	L	A	0.0000
5	R	A	-2.2970
6	N	A	-1.4515
7	F	A	0.0000
8	C	A	0.0000
9	F	A	0.0000
10	A	A	0.0000
11	G	A	-0.9014
12	D	A	0.0000
13	D	A	-2.1175
14	R	A	-2.6401
15	G	A	-2.0702
16	H	A	-1.7424
17	T	A	0.0000
18	R	A	-2.6867
19	D	A	-2.2876
20	I	A	0.0000
21	A	A	0.0000
22	D	A	-2.5019
23	R	A	-1.9356
24	L	A	0.0000
25	A	A	-1.0547
26	A	A	-0.8749
27	A	A	-0.8606
28	A	A	0.0000
29	P	A	-1.2580
30	E	A	-2.0648
31	L	A	-1.4716
32	T	A	-0.8069
33	V	A	-0.9805
34	H	A	-1.1474
35	R	A	-2.1755
36	V	A	0.0000
37	P	A	-0.6720
38	Y	A	0.1068
39	S	A	0.1962
40	L	A	0.1875
41	G	A	-0.4878
42	P	A	-1.0266
43	D	A	-1.9205
44	A	A	-1.0974
45	Y	A	0.0000
46	L	A	-1.2405
47	Q	A	-1.6163
48	A	A	-1.4558
49	I	A	0.0000
50	R	A	-2.0169
51	D	A	-2.1011
52	A	A	0.0000
53	A	A	0.0000
54	A	A	-1.1187
55	A	A	-0.7182
56	G	A	-0.8074
57	A	A	0.0000
58	D	A	-1.5127
59	V	A	0.0000
60	V	A	0.0000
61	V	A	0.0000
62	L	A	0.0000
63	G	A	0.0135
64	G	A	0.0000
65	S	A	-1.0732
66	W	A	0.0947
67	P	A	-0.4059
68	S	A	-0.4039
69	V	A	0.0000
70	Y	A	-1.3745
71	D	A	-1.8666
72	E	A	0.0000
73	A	A	0.0000
74	R	A	-1.7969
75	A	A	0.0000
76	A	A	0.0000
77	L	A	-1.8901
78	D	A	-2.4367
79	G	A	-2.0201
80	G	A	-1.7696
81	A	A	0.0000
82	K	A	-2.2503
83	R	A	-1.9510
84	V	A	0.0000
85	I	A	0.0000
86	G	A	0.0000
87	I	A	0.0000
88	A	A	0.0000
89	G	A	-1.7042
90	P	A	-1.8021
91	D	A	-3.6634
92	R	A	-3.6210
93	I	A	0.0000
94	E	A	-4.1148
95	D	A	-3.4617
96	P	A	-1.8196
97	A	A	-1.0370
98	T	A	0.0000
99	R	A	-2.5790
100	A	A	-1.5184
101	A	A	0.0000
102	V	A	0.0000
103	D	A	-2.4114
104	R	A	-3.0217
105	V	A	0.0000
106	K	A	-3.6283
107	R	A	-3.7911
108	E	A	-3.1546
109	L	A	-2.1964
110	P	A	-1.9586
111	E	A	-2.0156
112	F	A	0.0000
113	S	A	-0.8914
114	L	A	-0.1116
115	Q	A	-0.0850
116	F	A	0.0532
117	F	A	0.0000
118	A	A	-2.1315
119	D	A	-3.1985
120	E	A	-3.3761
121	G	A	-2.4322
122	A	A	-1.9999
123	A	A	-2.5707
124	R	A	-3.6884
125	D	A	-3.8125
126	R	A	-3.4396
127	D	A	-2.4501
128	I	A	0.0000
129	D	A	-3.1354
130	A	A	-1.9330
131	F	A	0.0000
132	V	A	0.0000
133	A	A	-1.1966
134	Q	A	-1.3690
135	L	A	0.0000
136	L	A	0.0000
137	A	A	-1.0071
138	W	A	-0.5297
139	A	A	0.0000
140	G	A	-1.5152
141	R	A	-2.1596
142	S	A	-1.1586