Project name: a11d7fc1885e4ef

Chain sequence(s)	A: GKITLYEDRGFQGRYECSSDPNLQPYLSRCNSARVDSGCWMLYEQPNYSGLQYFLRRGDYADQQWMGLSDSVRCRLIPSGSRIRLYEREDYRGQMIEFTEDCSCLQDRFRFNEISLNVLEGSWVLYELSNYRGRQYLLMPGDYRRYQDWGATNARVGSLRRVIDFS
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                                          (00:01:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:58)

• Minimal score value: -4.4901
• Maximal score value: 0.8144
• Average score: -1.3544
• Total score value: -224.8261

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	-1.4723
2	K	A	-2.1206
3	I	A	0.0000
4	T	A	-1.4002
5	L	A	0.0000
6	Y	A	-2.0125
7	E	A	-2.4215
8	D	A	-3.6102
9	R	A	-3.1594
10	G	A	-1.9893
11	F	A	-2.0274
12	Q	A	-2.8389
13	G	A	-2.7432
14	R	A	-2.3856
16	Y	A	-0.3127
17	E	A	-1.5907
18	C	A	-1.2770
19	S	A	-1.5468
20	S	A	-1.3265
21	D	A	-1.6126
23	P	A	-1.8684
24	N	A	-2.5697
25	L	A	0.0000
26	Q	A	-1.9736
27	P	A	-0.6126
28	Y	A	-0.3425
29	L	A	0.0000
30	S	A	-1.5034
31	R	A	-2.2795
32	C	A	0.0000
33	N	A	-2.3132
34	S	A	0.0000
35	A	A	0.0000
36	R	A	-2.5464
37	V	A	0.0000
38	D	A	-2.9632
39	S	A	-1.9077
40	G	A	-1.1906
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	-2.2439
47	Q	A	-2.4424
48	P	A	-2.1307
49	N	A	-2.0799
50	Y	A	-1.4823
51	S	A	-1.3141
52	G	A	-0.9949
53	L	A	-0.3339
54	Q	A	0.0000
55	Y	A	0.0657
56	F	A	0.0000
57	L	A	0.0000
58	R	A	-1.0531
59	R	A	-2.0267
60	G	A	-1.8086
61	D	A	-2.6105
62	Y	A	-1.9195
63	A	A	-1.9826
64	D	A	-2.1521
66	Q	A	-1.2981
67	Q	A	-1.6309
68	W	A	0.0000
69	M	A	-0.2186
70	G	A	-0.1449
71	L	A	0.6283
72	S	A	-0.5873
73	D	A	-2.0821
74	S	A	-1.7891
75	V	A	0.0000
76	R	A	-3.2686
78	C	A	-1.2091
79	R	A	-0.7992
80	L	A	-0.5670
81	I	A	-0.1159
82	P	A	-0.4178
84	S	A	-0.7855
85	G	A	-0.7182
86	S	A	-1.2964
88	R	A	-2.9374
89	I	A	0.0000
90	R	A	-1.4802
91	L	A	0.0000
92	Y	A	-2.3922
93	E	A	-2.7879
94	R	A	-4.3641
95	E	A	-4.1590
96	D	A	-3.8252
97	Y	A	-3.0351
98	R	A	-3.7133
99	G	A	-2.7489
100	Q	A	-2.0031
101	M	A	-1.2999
102	I	A	-1.3347
103	E	A	-2.5949
104	F	A	0.0000
105	T	A	-2.5127
106	E	A	-2.9093
107	D	A	-1.9853
108	C	A	0.0000
109	S	A	-1.5687
110	C	A	-1.3880
111	L	A	0.0000
112	Q	A	-3.1685
113	D	A	-3.5106
114	R	A	-3.4917
115	F	A	0.0000
116	R	A	-2.9023
117	F	A	-1.8120
118	N	A	-1.9376
119	E	A	-2.9717
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	-0.8871
127	E	A	-1.3971
128	G	A	-1.0152
129	S	A	-0.4859
130	W	A	0.0000
131	V	A	0.0000
132	L	A	0.0000
133	Y	A	0.0000
134	E	A	-1.8550
135	L	A	-1.1132
136	S	A	-1.2480
137	N	A	-1.6972
138	Y	A	-1.5159
139	R	A	-2.3992
140	G	A	-1.7944
141	R	A	-2.1897
142	Q	A	0.0000
143	Y	A	0.0000
144	L	A	0.2775
145	L	A	0.0000
146	M	A	-0.0598
147	P	A	-0.7964
148	G	A	-1.1257
149	D	A	-2.5547
150	Y	A	-2.9750
151	R	A	-4.4901
152	R	A	-4.3492
153	Y	A	-2.8169
154	Q	A	-3.0398
155	D	A	-3.4586
156	W	A	0.0000
157	G	A	-1.8191
158	A	A	0.0000
159	T	A	-1.0991
160	N	A	-2.0558
161	A	A	-2.3675
162	R	A	-2.1904
163	V	A	0.0000
164	G	A	0.0000
165	S	A	0.0000
166	L	A	0.0000
167	R	A	-1.1875
168	R	A	-1.4387
169	V	A	0.0000
170	I	A	-0.1996
171	D	A	-0.9558
172	F	A	0.8144
173	S	A	0.2220