Project name: f405cd41a2e116c

Chain sequence(s)	I: MDVTIQHPWFKRTLGPFYPSRLFDQFFGEGLFEYDLLPFLSSTISPYYRQSLFRTVLDSGISEVRSDRDKFVIFLDVKHFSPEDLTVKVQDDFVEIHGKHNERQDDHGYISREFHRRYRLPSNVDQSALSCSLSADGMLTFCGPKIQTGLDATHAERAIPVSREEKPTSAPSS
Selected Chain(s)	I
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 I 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                                          (00:01:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:30)

• Minimal score value: -4.0187
• Maximal score value: 1.9037
• Average score: -0.6832
• Total score value: -118.191

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	M	I	1.0353
2	D	I	0.5608
3	V	I	1.3435
4	T	I	1.2491
5	I	I	1.5562
6	Q	I	0.0000
7	H	I	-0.3355
8	P	I	-0.4887
9	W	I	-0.0704
10	F	I	0.0000
11	K	I	-2.3672
12	R	I	-2.5311
13	T	I	0.0000
14	L	I	-0.5086
15	G	I	-0.8999
16	P	I	-0.1919
17	F	I	0.0000
18	Y	I	1.1979
19	P	I	0.1711
20	S	I	-0.1005
21	R	I	-1.7747
22	L	I	-0.3689
23	F	I	0.0000
24	D	I	-1.2484
25	Q	I	-1.2997
26	F	I	0.2926
27	F	I	0.3761
28	G	I	-0.5072
29	E	I	-0.8897
30	G	I	-0.4515
31	L	I	0.5555
32	F	I	1.3306
33	E	I	-0.4332
34	Y	I	0.7013
35	D	I	-0.4415
36	L	I	1.3155
37	L	I	1.1197
38	P	I	0.7299
39	F	I	0.8568
40	L	I	1.0204
41	S	I	0.7887
42	S	I	0.7456
43	T	I	1.0578
44	I	I	1.9037
45	S	I	0.9135
46	P	I	0.0000
47	Y	I	0.4824
48	Y	I	0.0000
49	R	I	-1.8927
50	Q	I	0.0000
51	S	I	-0.4722
52	L	I	1.3560
53	F	I	0.0000
54	R	I	0.0000
55	T	I	0.0652
56	V	I	1.2438
57	L	I	0.0000
58	D	I	-0.9242
59	S	I	-0.3023
60	G	I	0.0139
61	I	I	1.1158
62	S	I	0.0000
63	E	I	-1.2575
64	V	I	0.0000
65	R	I	-1.9052
66	S	I	0.0000
67	D	I	-2.5101
68	R	I	-3.1882
69	D	I	-2.8438
70	K	I	-2.1584
71	F	I	0.0000
72	V	I	0.0000
73	I	I	0.0000
74	F	I	-0.8939
75	L	I	0.0000
76	D	I	-1.6418
77	V	I	0.0000
78	K	I	-2.3214
79	H	I	0.0000
80	F	I	0.0000
81	S	I	-1.1566
82	P	I	0.0000
83	E	I	-2.3446
84	D	I	-2.1798
85	L	I	0.0000
86	T	I	-0.8592
87	V	I	0.0000
88	K	I	-1.8337
89	V	I	0.0000
90	Q	I	-2.7867
91	D	I	-2.6986
92	D	I	-1.5003
93	F	I	-1.5811
94	V	I	0.0000
95	E	I	0.0000
96	I	I	0.0000
97	H	I	-1.7681
98	G	I	0.0000
99	K	I	-4.0187
100	H	I	-3.2686
101	N	I	-3.0080
102	E	I	-2.5798
103	R	I	-2.5769
104	Q	I	-2.9400
105	D	I	-3.5098
106	D	I	-3.3904
107	H	I	-2.4285
108	G	I	-1.6889
109	Y	I	-0.5597
110	I	I	-0.7923
111	S	I	-2.3969
112	R	I	-3.6635
113	E	I	-3.9107
114	F	I	-2.0720
115	H	I	-2.0105
116	R	I	0.0000
117	R	I	-2.2425
118	Y	I	-0.8682
119	R	I	-0.9913
120	L	I	0.0000
121	P	I	0.0000
122	S	I	0.0000
123	N	I	0.0000
124	V	I	0.0000
125	D	I	-0.7469
126	Q	I	0.0000
127	S	I	-0.9775
128	A	I	0.0000
129	L	I	0.0000
130	S	I	-0.6132
131	C	I	0.0000
132	S	I	0.0000
133	L	I	-1.2810
134	S	I	-0.9391
135	A	I	-1.0715
136	D	I	-2.1535
137	G	I	-1.6843
138	M	I	0.0000
139	L	I	0.0000
140	T	I	0.0000
141	F	I	0.0000
142	C	I	0.0000
143	G	I	0.0000
144	P	I	-0.6961
145	K	I	-0.8560
146	I	I	0.4162
147	Q	I	-0.8645
148	T	I	-0.8421
149	G	I	-0.2773
150	L	I	-0.0813
151	D	I	-0.4090
152	A	I	-0.3861
153	T	I	-0.4875
154	H	I	0.0000
155	A	I	-1.6591
156	E	I	-3.1619
157	R	I	-3.0285
158	A	I	-1.4919
159	I	I	-0.6735
160	P	I	-0.6878
161	V	I	-0.6753
162	S	I	-1.3834
163	R	I	-2.6861
164	E	I	0.0000
165	E	I	-2.8209
166	K	I	-2.0976
167	P	I	-1.2600
168	T	I	-1.3497
169	S	I	-0.6493
170	A	I	0.0718
171	P	I	-0.0982
172	S	I	-0.4327
173	S	I	-0.4087