Project name: 821507b1ec7ffc2

Chain sequence(s)	A: GKITLYEDRGFQGRHYECSSDHPNLQPYLSRCNSARVDSGCWMLYEQPDYSGLQYFLRRGDYADHQQWMGLSDSVRSCRLIPHSGSHRIRLYEREDYRGQMIEFTEDCSCLQDRFRFNEIHSLNVLEGSWVLYELSNYRGRQYLLMPGDYRRYQDWGATNARVGSLRRVIDFS
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                                          (00:01:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:51)

• Minimal score value: -3.591
• Maximal score value: 1.0275
• Average score: -1.1163
• Total score value: -193.126

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	-1.2647
2	K	A	-1.7148
3	I	A	0.0000
4	T	A	0.0000
5	L	A	0.0000
6	Y	A	-1.7521
7	E	A	-2.0329
8	D	A	-2.6286
9	R	A	-2.6569
10	G	A	-1.6845
11	F	A	-1.6677
12	Q	A	-2.4454
13	G	A	-2.1869
14	R	A	-2.0274
15	H	A	-1.8619
16	Y	A	-0.9282
17	E	A	-1.5707
18	C	A	0.0000
19	S	A	-1.1260
20	S	A	-1.0119
21	D	A	-1.0326
22	H	A	-1.1513
23	P	A	-1.6949
24	N	A	-1.6580
25	L	A	0.0000
26	Q	A	-1.5355
27	P	A	-0.5728
28	Y	A	-0.5167
29	L	A	0.0000
30	S	A	-1.3083
31	R	A	-1.9652
32	C	A	0.0000
33	N	A	-2.1464
34	S	A	0.0000
35	A	A	0.0000
36	R	A	-1.8883
37	V	A	0.0000
38	D	A	-2.1298
39	S	A	-1.2586
40	G	A	-0.8576
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	-1.1317
47	Q	A	-1.6662
48	P	A	-1.8591
49	D	A	-2.2247
50	Y	A	-1.2727
51	S	A	-1.1496
52	G	A	-0.9749
53	L	A	-0.1342
54	Q	A	0.0000
55	Y	A	0.0000
56	F	A	0.0000
57	L	A	0.0000
58	R	A	-0.9511
59	R	A	-1.7269
60	G	A	-1.8926
61	D	A	-2.4666
62	Y	A	-1.8003
63	A	A	-1.7555
64	D	A	-1.8507
65	H	A	-1.6159
66	Q	A	-1.6858
67	Q	A	-1.9503
68	W	A	0.0000
69	M	A	-0.3635
70	G	A	-0.2851
71	L	A	0.8746
72	S	A	-0.4954
73	D	A	-1.8758
74	S	A	0.0000
75	V	A	0.0000
76	R	A	-1.7095
77	S	A	0.0000
78	C	A	0.0000
79	R	A	-0.8068
80	L	A	-0.5752
81	I	A	0.0000
82	P	A	-0.6902
83	H	A	-1.0482
84	S	A	-1.0991
85	G	A	-1.3332
86	S	A	-1.3413
87	H	A	0.0000
88	R	A	-2.2671
89	I	A	0.0000
90	R	A	-0.9825
91	L	A	0.0000
92	Y	A	-1.6298
93	E	A	-2.2594
94	R	A	-3.2684
95	E	A	-3.0913
96	D	A	-2.9661
97	Y	A	-2.4714
98	R	A	-3.2306
99	G	A	-2.4346
100	Q	A	-1.8350
101	M	A	-0.8545
102	I	A	-0.5752
103	E	A	-1.0244
104	F	A	-1.3432
105	T	A	-2.0858
106	E	A	-2.7647
107	D	A	-2.0328
108	C	A	0.0000
109	S	A	-1.5344
110	C	A	-1.5444
111	L	A	0.0000
112	Q	A	-3.2850
113	D	A	-3.5910
114	R	A	-3.3778
115	F	A	0.0000
116	R	A	-2.8935
117	F	A	-1.9882
118	N	A	-2.0452
119	E	A	-2.3372
120	I	A	0.0000
121	H	A	-2.5018
122	S	A	0.0000
123	L	A	0.0000
124	N	A	-1.6776
125	V	A	0.0000
126	L	A	-1.0988
127	E	A	-1.7061
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	-1.1165
135	L	A	-0.4277
136	S	A	-0.8983
137	N	A	-1.5628
138	Y	A	-1.1479
139	R	A	-1.6747
140	G	A	-0.8318
141	R	A	-0.6638
142	Q	A	0.0000
143	Y	A	0.0000
144	L	A	0.0000
145	L	A	0.0000
146	M	A	-0.3545
147	P	A	-0.9935
148	G	A	-1.3440
149	D	A	-2.5414
150	Y	A	-2.5141
151	R	A	-3.3425
152	R	A	-3.2121
153	Y	A	-2.3927
154	Q	A	-2.7940
155	D	A	-3.1676
156	W	A	0.0000
157	G	A	-1.7530
158	A	A	0.0000
159	T	A	-1.3104
160	N	A	-1.9574
161	A	A	0.0000
162	R	A	-1.6892
163	V	A	0.0000
164	G	A	0.0000
165	S	A	0.0000
166	L	A	0.0000
167	R	A	-1.3960
168	R	A	-1.5253
169	V	A	0.0000
170	I	A	-0.0533
171	D	A	-0.1400
172	F	A	1.0275
173	S	A	0.4829