Project name: 9d47ed983c43986

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

• Minimal score value: -3.9863
• Maximal score value: 0.9625
• Average score: -1.1758
• Total score value: -203.4149

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	G	A	-1.4540
2	K	A	-2.4528
3	I	A	0.0000
4	T	A	-1.9052
5	L	A	0.0000
6	Y	A	-2.2523
7	E	A	0.0000
8	D	A	-2.8986
9	R	A	-1.8418
10	G	A	-1.4463
11	F	A	-1.5860
12	Q	A	-2.5105
13	G	A	-2.7637
14	R	A	-3.1203
15	H	A	-2.4959
16	Y	A	-1.4351
17	E	A	-2.3631
18	C	A	0.0000
19	S	A	-1.7762
20	S	A	-1.6246
21	D	A	-2.0019
22	H	A	-1.5572
23	P	A	-1.7317
24	D	A	-1.6521
25	L	A	0.0000
26	Q	A	-1.3430
27	P	A	-0.5713
28	Y	A	-0.5580
29	L	A	0.0000
30	S	A	-1.6329
31	R	A	-2.9002
32	C	A	0.0000
33	N	A	-2.2028
34	S	A	0.0000
35	A	A	0.0000
36	R	A	-2.4192
37	V	A	0.0000
38	D	A	-2.9409
39	S	A	-1.5719
40	G	A	-0.9856
41	C	A	0.0000
42	W	A	0.0000
43	M	A	0.0000
44	L	A	0.0000
45	Y	A	0.0000
46	E	A	-1.3636
47	Q	A	-1.6693
48	P	A	-1.6617
49	N	A	-1.8117
50	Y	A	-1.1282
51	S	A	-0.9387
52	G	A	-0.9348
53	L	A	-0.1333
54	Q	A	-0.1687
55	Y	A	0.0000
56	F	A	0.0000
57	L	A	0.0000
58	R	A	-1.0046
59	R	A	-1.8673
60	G	A	-2.0824
61	D	A	-2.7275
62	Y	A	-1.7945
63	A	A	-1.6315
64	D	A	-1.7263
65	H	A	0.0000
66	Q	A	-1.8113
67	Q	A	-1.9906
68	W	A	0.0000
69	M	A	-0.8156
70	G	A	-0.6930
71	L	A	0.3031
72	S	A	-0.7055
73	D	A	-2.2417
74	S	A	-1.8239
75	V	A	0.0000
76	R	A	-2.0827
77	S	A	0.0000
78	C	A	0.0000
79	R	A	-1.1547
80	L	A	-0.6731
81	I	A	0.0000
82	P	A	-0.6187
83	H	A	-1.0478
84	S	A	-1.0955
85	G	A	-0.8228
86	S	A	-1.5094
87	H	A	0.0000
88	R	A	-2.8553
89	I	A	0.0000
90	R	A	-1.3824
91	L	A	0.0000
92	Y	A	-1.6003
93	E	A	0.0000
94	R	A	-3.0799
95	E	A	-3.3178
96	D	A	-3.0321
97	Y	A	-2.2396
98	R	A	-2.9744
99	G	A	-2.1904
100	Q	A	-1.6738
101	M	A	-0.5924
102	I	A	-0.4724
103	E	A	-1.7453
104	F	A	-1.7444
105	T	A	-2.2944
106	E	A	-2.8023
107	D	A	-1.8941
108	C	A	0.0000
109	S	A	-1.3815
110	C	A	-1.0369
111	L	A	0.0000
112	Q	A	-2.2654
113	D	A	-2.7098
114	R	A	-2.2903
115	F	A	-2.0033
116	R	A	-2.7787
117	F	A	-2.0491
118	N	A	-2.0718
119	E	A	-2.0684
120	I	A	0.0000
121	H	A	-2.5874
122	S	A	0.0000
123	L	A	0.0000
124	N	A	-1.6748
125	V	A	0.0000
126	L	A	-0.9442
127	E	A	-1.8681
128	G	A	0.0000
129	S	A	0.0000
130	W	A	0.0000
131	V	A	0.0000
132	L	A	0.0000
133	Y	A	0.0000
134	E	A	-1.4376
135	L	A	-0.9501
136	S	A	-1.1737
137	N	A	-1.6445
138	Y	A	-1.3904
139	R	A	-2.2139
140	G	A	-1.3039
141	R	A	-1.2824
142	Q	A	0.0000
143	Y	A	-0.0463
144	L	A	0.2269
145	L	A	0.0000
146	M	A	-0.0712
147	P	A	-0.8565
148	G	A	-1.2573
149	D	A	-2.5151
150	Y	A	-2.5720
151	R	A	-3.9863
152	R	A	-3.5688
153	Y	A	-2.3030
154	Q	A	-2.1923
155	D	A	-2.2383
156	W	A	0.0000
157	G	A	-1.2859
158	A	A	0.0000
159	T	A	-1.3044
160	N	A	-1.7983
161	A	A	0.0000
162	R	A	-1.7449
163	V	A	0.0000
164	G	A	0.0000
165	S	A	0.0000
166	L	A	0.0000
167	R	A	-1.2639
168	R	A	-1.3715
169	V	A	0.0000
170	I	A	-0.1623
171	D	A	-0.0006
172	F	A	0.9625
173	S	A	0.3745