Project name: ca3d8d3b41d15ac

Chain sequence(s)	A: GKILYEDRGFQGRYECSSDPNLQPYLSRCNSARVDSGCWMLYEQPNYSGLQYFLRRGDYADQQWMGLSDSVRSCRLIPSGSRIRLYEREDYRGQMIEFTEDCSCLQDRFRFNEISLNVLEGSWVLYELSNYRGRQYLLMPGDYRRYQDWGATNARVGSLRRVIDFS
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                                          (00:01:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:44)

• Minimal score value: -4.3643
• Maximal score value: 1.0389
• Average score: -1.1962
• Total score value: -198.5664

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	-1.4177
2	K	A	-2.3482
3	I	A	0.0000
5	L	A	0.0000
6	Y	A	-1.6123
7	E	A	0.0000
8	D	A	-2.6502
9	R	A	-2.7746
10	G	A	-1.7554
11	F	A	-1.5804
12	Q	A	-2.3881
13	G	A	-2.3010
14	R	A	-2.1152
16	Y	A	-0.1737
17	E	A	-1.7290
18	C	A	-1.4063
19	S	A	-1.6335
20	S	A	-1.6013
21	D	A	-2.2405
23	P	A	-2.1357
24	N	A	-2.3251
25	L	A	0.0000
26	Q	A	-1.6279
27	P	A	-0.4614
28	Y	A	0.4097
29	L	A	0.0000
30	S	A	-0.9995
31	R	A	-1.6865
32	C	A	0.0000
33	N	A	-1.9840
34	S	A	0.0000
35	A	A	0.0000
36	R	A	-3.0128
37	V	A	0.0000
38	D	A	-2.8277
39	S	A	-1.7752
40	G	A	-1.0571
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	-1.6703
47	Q	A	-2.2091
48	P	A	-2.0984
49	N	A	-2.0131
50	Y	A	-1.2969
51	S	A	-1.0907
52	G	A	-1.0695
53	L	A	-0.2482
54	Q	A	0.0000
55	Y	A	0.0000
56	F	A	0.2532
57	L	A	0.0000
58	R	A	-1.4596
59	R	A	-2.3133
60	G	A	-2.3453
61	D	A	-2.9921
62	Y	A	-2.0420
63	A	A	-1.9168
64	D	A	-1.8418
66	Q	A	-1.6176
67	Q	A	-1.6755
68	W	A	0.0000
69	M	A	0.2216
70	G	A	0.0559
71	L	A	1.0389
72	S	A	-0.5465
73	D	A	-1.9598
74	S	A	0.0000
75	V	A	0.0000
76	R	A	-2.1679
77	S	A	0.0000
78	C	A	0.0000
79	R	A	-1.0857
80	L	A	-0.6497
81	I	A	0.0000
82	P	A	-0.3070
84	S	A	-0.8550
85	G	A	-0.9338
86	S	A	-1.3804
88	R	A	-3.1559
89	I	A	0.0000
90	R	A	-1.3493
91	L	A	0.0000
92	Y	A	-2.0994
93	E	A	-2.4297
94	R	A	-4.0485
95	E	A	-4.3643
96	D	A	-4.1201
97	Y	A	-2.9902
98	R	A	-3.3507
99	G	A	-2.2853
100	Q	A	-1.1233
101	M	A	-0.5952
102	I	A	-0.9152
103	E	A	-2.5526
104	F	A	0.0000
105	T	A	-2.5279
106	E	A	-2.9992
107	D	A	-2.2101
108	C	A	0.0000
109	S	A	-1.5185
110	C	A	-1.5805
111	L	A	0.0000
112	Q	A	-3.1277
113	D	A	-3.5577
114	R	A	-3.5358
115	F	A	0.0000
116	R	A	-2.9971
117	F	A	-1.6890
118	N	A	-2.0008
119	E	A	-2.7579
120	I	A	0.0000
122	S	A	0.0000
123	L	A	0.0000
124	N	A	0.0000
125	V	A	0.0000
126	L	A	-1.2548
127	E	A	-1.9210
128	G	A	-1.2494
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	-1.3096
135	L	A	-0.6387
136	S	A	-1.1129
137	N	A	-1.5420
138	Y	A	-1.2749
139	R	A	-1.8630
140	G	A	-1.0875
141	R	A	-1.3717
142	Q	A	-0.7680
143	Y	A	-0.1060
144	L	A	0.2609
145	L	A	0.0000
146	M	A	-0.1993
147	P	A	-0.9776
148	G	A	-1.3279
149	D	A	-2.2945
150	Y	A	-2.4747
151	R	A	-4.0178
152	R	A	-3.3748
153	Y	A	-1.8228
154	Q	A	-1.9985
155	D	A	-2.0223
156	W	A	0.0000
157	G	A	-1.1317
158	A	A	0.0000
159	T	A	-0.6276
160	N	A	-1.2247
161	A	A	-1.9365
162	R	A	-1.7495
163	V	A	0.0000
164	G	A	0.0000
165	S	A	0.0000
166	L	A	0.0000
167	R	A	-1.3322
168	R	A	-1.5765
169	V	A	0.0000
170	I	A	-0.1746
171	D	A	-0.6869
172	F	A	0.6504
173	S	A	0.2811