Project name: 87fe9995fa61832

Chain sequence(s)	X: GKITLYEDRGFQGRHYECSSDHPNLQPYLSRCNSPRVDSGCWMLYEQPNYSGLQYFLRRGDYADHQQWMGLSDSVRSCRLIPHSGSHRIRLYEREDYRGQMIEFTEDCSCLQDRFRFNEIHSLNVLEGSWVLYELSNYRGRQYLLMPGDYRRYQDWGATNARVGSLRRVIDFS
Selected Chain(s)	X
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 X chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:34)

• Minimal score value: -4.6714
• Maximal score value: 1.553
• Average score: -1.2193
• Total score value: -210.9314

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	X	-1.9914
2	K	X	-3.1276
3	I	X	0.0000
4	T	X	-2.0537
5	L	X	0.0000
6	Y	X	-2.1084
7	E	X	0.0000
8	D	X	-2.8347
9	R	X	-2.8049
10	G	X	-1.8569
11	F	X	-1.8952
12	Q	X	-2.4899
13	G	X	-2.3321
14	R	X	-2.1343
15	H	X	-2.1328
16	Y	X	-1.1470
17	E	X	-2.3819
18	C	X	0.0000
19	S	X	-1.8407
20	S	X	-1.4020
21	D	X	-1.5524
22	H	X	-1.4722
23	P	X	-1.5709
24	N	X	-1.5262
25	L	X	0.0000
26	Q	X	-1.2678
27	P	X	-0.4765
28	Y	X	-0.3931
29	L	X	0.0000
30	S	X	-1.1407
31	R	X	-1.6511
32	C	X	0.0000
33	N	X	0.0000
34	S	X	0.0000
35	P	X	0.0000
36	R	X	-2.8273
37	V	X	0.0000
38	D	X	-3.4098
39	S	X	-2.0505
40	G	X	0.0000
41	C	X	0.0000
42	W	X	0.0000
43	M	X	0.0000
44	L	X	0.0000
45	Y	X	0.0000
46	E	X	-1.2147
47	Q	X	-1.6208
48	P	X	-1.6570
49	N	X	-1.8985
50	Y	X	-1.1339
51	S	X	-0.9470
52	G	X	-0.8702
53	L	X	-0.4306
54	Q	X	-0.5165
55	Y	X	0.0000
56	F	X	-0.0749
57	L	X	0.0000
58	R	X	-2.1459
59	R	X	-2.5192
60	G	X	-2.4053
61	D	X	-2.9534
62	Y	X	0.0000
63	A	X	-1.9965
64	D	X	-2.1534
65	H	X	-1.4951
66	Q	X	-1.5597
67	Q	X	-2.0209
68	W	X	0.0000
69	M	X	-0.5389
70	G	X	0.0000
71	L	X	1.0870
72	S	X	-0.1703
73	D	X	-1.3998
74	S	X	-1.0541
75	V	X	0.0000
76	R	X	-1.8753
77	S	X	0.0000
78	C	X	0.0000
79	R	X	-0.8489
80	L	X	-0.8656
81	I	X	0.0000
82	P	X	-0.5708
83	H	X	-1.1427
84	S	X	-1.1349
85	G	X	-0.9454
87	S	X	-1.2814
88	H	X	0.0000
89	R	X	-1.9991
90	I	X	0.0000
91	R	X	-1.0995
92	L	X	0.0000
93	Y	X	0.0000
94	E	X	-2.7414
95	R	X	-4.1467
96	E	X	-4.0582
97	D	X	-3.9481
98	Y	X	-3.2195
99	R	X	-3.7547
100	G	X	-2.7935
101	Q	X	-2.1156
102	M	X	-1.1203
103	I	X	-0.6780
104	E	X	-1.2285
105	F	X	0.0000
106	T	X	-1.9275
107	E	X	-2.5418
108	D	X	-1.6760
109	C	X	0.0000
110	S	X	-1.4273
111	C	X	-1.0610
112	L	X	0.0000
113	Q	X	-2.5501
114	D	X	-3.0392
115	R	X	-3.0857
116	F	X	0.0000
117	R	X	-3.0611
118	F	X	-2.2645
119	N	X	-2.3657
120	E	X	-2.6665
121	I	X	0.0000
122	H	X	-3.3688
123	S	X	0.0000
124	L	X	0.0000
125	N	X	-1.7135
126	V	X	0.0000
127	L	X	-0.8394
128	E	X	-1.6360
129	G	X	0.0000
130	S	X	0.0000
131	W	X	0.0000
132	V	X	0.0000
133	L	X	0.0000
134	Y	X	0.0000
135	E	X	-1.9746
136	L	X	-1.2038
137	S	X	-1.0203
138	N	X	-1.6215
139	Y	X	-1.4114
140	R	X	-1.9930
141	G	X	-1.5411
142	R	X	-1.9075
143	Q	X	0.0000
144	Y	X	0.0000
145	L	X	0.0000
146	L	X	0.0000
147	M	X	-0.3340
148	P	X	-0.9383
149	G	X	-1.4104
150	D	X	-2.9098
151	Y	X	-3.1783
152	R	X	-4.6714
153	R	X	-4.3305
154	Y	X	-3.0625
155	Q	X	-3.0745
156	D	X	-3.5082
157	W	X	0.0000
158	G	X	-1.7742
159	A	X	0.0000
160	T	X	-1.4351
161	N	X	-2.2838
162	A	X	0.0000
163	R	X	-2.6054
164	V	X	0.0000
165	G	X	0.0000
166	S	X	0.0000
167	L	X	0.0000
168	R	X	-1.3799
169	R	X	-1.3220
170	V	X	0.0000
171	I	X	0.0568
172	D	X	0.1052
173	F	X	1.5530
174	S	X	0.5989