Project name: 5f8748f13a3d9ba

Chain sequence(s)	A: GKITLYEDRGFQGRHYECSSDHPNLQPYLSRCNSARVDSGCWMLYEQPNYSGLQYFLRRGDYADHQQWMGLSDSVRSCRLIPHSGSHRIRLYEREDYRGEMIEFTEDCSCLQDRFRFNEIHSLNVLEGSWVLYELSNYRGRQYLLMPGDYRRYQDWGATNARVGSLRRVIDFS
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                                          (00:02:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:03)

• Minimal score value: -3.4267
• Maximal score value: 1.308
• Average score: -1.1724
• Total score value: -202.8279

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	-1.5848
2	K	A	-2.3627
3	I	A	0.0000
4	T	A	-1.6650
5	L	A	0.0000
6	Y	A	-1.9048
7	E	A	0.0000
8	D	A	-2.2859
9	R	A	-1.7240
10	G	A	-1.4399
11	F	A	-1.5978
12	Q	A	-2.3015
13	G	A	-2.3289
14	R	A	-2.5209
15	H	A	-2.0501
16	Y	A	-1.1604
17	E	A	-1.8943
18	C	A	0.0000
19	S	A	-1.5650
20	S	A	-1.3876
21	D	A	-1.8332
22	H	A	-1.5470
23	P	A	-1.8192
24	N	A	-1.9890
25	L	A	0.0000
26	Q	A	-1.8880
27	P	A	-0.7400
28	Y	A	-0.8097
29	L	A	0.0000
30	S	A	-1.2086
31	R	A	-1.9100
32	C	A	0.0000
33	N	A	-1.8404
34	S	A	0.0000
35	A	A	0.0000
36	R	A	-2.6984
37	V	A	0.0000
38	D	A	-3.3103
39	S	A	-1.9539
40	G	A	-1.1937
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	-1.3427
47	Q	A	-1.7451
48	P	A	-1.8809
49	N	A	-1.8916
50	Y	A	-0.9955
51	S	A	-0.9888
52	G	A	-0.9038
53	L	A	-0.2334
54	Q	A	-0.2562
55	Y	A	0.0000
56	F	A	0.0000
57	L	A	0.0000
58	R	A	-1.8554
59	R	A	-3.1675
60	G	A	-2.6576
61	D	A	-2.9779
62	Y	A	-1.9252
63	A	A	-1.7520
64	D	A	-1.8751
65	H	A	-1.6971
66	Q	A	-1.9237
67	Q	A	-2.0407
68	W	A	0.0000
69	M	A	-0.7017
70	G	A	0.0000
71	L	A	0.1648
72	S	A	-0.6721
73	D	A	-2.1492
74	S	A	0.0000
75	V	A	0.0000
76	R	A	-2.1985
77	S	A	0.0000
78	C	A	0.0000
79	R	A	-1.1246
80	L	A	-0.6515
81	I	A	0.0000
82	P	A	-0.6524
83	H	A	-1.0155
84	S	A	-1.1117
85	G	A	-0.7536
86	S	A	-1.5143
87	H	A	0.0000
88	R	A	-3.2086
89	I	A	0.0000
90	R	A	-1.6731
91	L	A	0.0000
92	Y	A	0.0000
93	E	A	-2.6218
94	R	A	-3.0633
95	E	A	-2.6125
96	D	A	-3.3506
97	Y	A	-2.7135
98	R	A	-3.4267
99	G	A	-2.6472
100	E	A	-2.1787
101	M	A	-1.6365
102	I	A	-1.4192
103	E	A	-2.4731
104	F	A	0.0000
105	T	A	-2.6737
106	E	A	-3.0071
107	D	A	-2.2430
108	C	A	0.0000
109	S	A	-1.3183
110	C	A	-1.0782
111	L	A	0.0000
112	Q	A	-2.6325
113	D	A	-3.1399
114	R	A	-3.1128
115	F	A	0.0000
116	R	A	-2.9699
117	F	A	-2.2374
118	N	A	-2.3883
119	E	A	-2.5233
120	I	A	0.0000
121	H	A	-2.2447
122	S	A	0.0000
123	L	A	0.0000
124	N	A	-1.7787
125	V	A	0.0000
126	L	A	-1.0509
127	E	A	-1.8456
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	-1.2641
135	L	A	-0.3692
136	S	A	-0.7852
137	N	A	-1.1942
138	Y	A	-0.9795
139	R	A	-1.6742
140	G	A	-0.7816
141	R	A	-1.0569
142	Q	A	0.0000
143	Y	A	0.0000
144	L	A	0.1412
145	L	A	0.0000
146	M	A	-0.1230
147	P	A	-0.9716
148	G	A	-1.4340
149	D	A	-2.5127
150	Y	A	-2.3643
151	R	A	-3.0430
152	R	A	-2.3405
153	Y	A	-1.6764
154	Q	A	-2.3288
155	D	A	-2.9312
156	W	A	0.0000
157	G	A	-1.4369
158	A	A	0.0000
159	T	A	-0.8265
160	N	A	-1.2004
161	A	A	0.0000
162	R	A	-2.4839
163	V	A	0.0000
164	G	A	0.0000
165	S	A	0.0000
166	L	A	0.0000
167	R	A	-1.2120
168	R	A	-1.4133
169	V	A	0.0000
170	I	A	-0.1385
171	D	A	-0.1033
172	F	A	1.3080
173	S	A	0.6427