Project name: 63e19feeecea27e

Chain sequence(s)	A: GKITLYEDRGFQGRYECSSDPNLQPYLSRCNSARVDSGCWMLYEQPNYSGLQYFLRRGDYADQQWMGLSDSVRSCRLIPSGSRIRLYEREDYRGQMIEFTEDCSCLQDRFRFNEISLNVLEGSWVLYELSNYRGRQYLLMPGDYRRYQDWGATNARVGLRRVIDFS
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                                          (00:01:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:35)

• Minimal score value: -4.2514
• Maximal score value: 1.3617
• Average score: -1.139
• Total score value: -189.0805

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	-1.2874
2	K	A	-2.0793
3	I	A	0.0000
4	T	A	-1.5279
5	L	A	0.0000
6	Y	A	-1.5275
7	E	A	0.0000
8	D	A	-2.6892
9	R	A	-2.9251
10	G	A	-1.6950
11	F	A	-1.6038
12	Q	A	-2.5170
13	G	A	-2.3654
14	R	A	-2.1624
16	Y	A	-0.3793
17	E	A	-1.6105
18	C	A	-1.4151
19	S	A	-1.4046
20	S	A	-1.5617
21	D	A	-2.1670
23	P	A	-2.0646
24	N	A	-2.2615
25	L	A	0.0000
26	Q	A	-1.7584
27	P	A	-0.7296
28	Y	A	-0.2180
29	L	A	0.0000
30	S	A	-1.2197
31	R	A	-1.8525
32	C	A	0.0000
33	N	A	-2.0505
34	S	A	0.0000
35	A	A	0.0000
36	R	A	-2.6281
37	V	A	0.0000
38	D	A	-2.9533
39	S	A	-1.5330
40	G	A	-0.6726
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	-1.1592
47	Q	A	-1.5833
48	P	A	-1.8771
49	N	A	-1.9600
50	Y	A	-1.3322
51	S	A	-0.9812
52	G	A	-0.9234
53	L	A	-0.2033
54	Q	A	-0.2079
55	Y	A	0.0000
56	F	A	0.0000
57	L	A	0.0000
58	R	A	-1.0761
59	R	A	-1.8007
60	G	A	-2.2517
61	D	A	-2.9138
62	Y	A	-2.0536
63	A	A	-2.0056
64	D	A	-2.3343
66	Q	A	-1.7754
67	Q	A	-2.0143
68	W	A	0.0000
69	M	A	-0.4891
70	G	A	-0.4404
71	L	A	0.7087
72	S	A	-0.5537
73	D	A	-1.8145
74	S	A	0.0000
75	V	A	0.0000
76	R	A	-1.9958
77	S	A	0.0000
78	C	A	0.0000
79	R	A	-1.2341
80	L	A	-0.5534
81	I	A	-0.0289
82	P	A	-0.1875
84	S	A	-0.7773
85	G	A	-0.7882
86	S	A	-1.1843
88	R	A	-2.3490
89	I	A	0.0000
90	R	A	-1.3633
91	L	A	0.0000
92	Y	A	0.0000
93	E	A	-2.6475
94	R	A	-3.7357
95	E	A	-4.2514
96	D	A	-4.1249
97	Y	A	-3.1195
98	R	A	-3.6727
99	G	A	-2.6232
100	Q	A	-1.7273
101	M	A	-0.8774
102	I	A	-0.6691
103	E	A	-1.7389
104	F	A	0.0000
105	T	A	-2.2353
106	E	A	-2.9414
107	D	A	-2.3864
108	C	A	0.0000
109	S	A	-1.3538
110	C	A	-1.4598
111	L	A	0.0000
112	Q	A	-2.6407
113	D	A	-3.2926
114	R	A	-3.1271
115	F	A	0.0000
116	R	A	-3.0631
117	F	A	-2.1668
118	N	A	-1.8635
119	E	A	-2.3263
120	I	A	0.0000
122	S	A	0.0000
123	L	A	0.0000
124	N	A	-1.6417
125	V	A	0.0000
126	L	A	-0.7482
127	E	A	-1.7046
128	G	A	-1.1298
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	-1.2698
135	L	A	-0.2262
136	S	A	-0.5945
137	N	A	-1.0835
138	Y	A	-0.6337
139	R	A	-1.0236
140	G	A	-0.4973
141	R	A	-0.6658
142	Q	A	0.0000
143	Y	A	-0.0827
144	L	A	0.1686
145	L	A	0.0000
146	M	A	0.0102
147	P	A	-0.7767
148	G	A	-1.1218
149	D	A	-2.4259
150	Y	A	-2.2813
151	R	A	-3.5553
152	R	A	-3.3611
153	Y	A	-2.0854
154	Q	A	-1.9883
155	D	A	-1.9636
156	W	A	0.0000
157	G	A	-1.2248
158	A	A	0.0000
159	T	A	-0.7530
160	N	A	-1.4516
161	A	A	-2.0198
162	R	A	-2.0403
163	V	A	0.0000
164	G	A	0.0000
166	L	A	0.0000
167	R	A	-1.4014
168	R	A	-1.5822
169	V	A	0.0000
170	I	A	0.3011
171	D	A	0.2414
172	F	A	1.3617
173	S	A	0.5787