Project name: 744a121af67e5c5

Chain sequence(s)	A: MDVTIQHPWFKRTLGPFYPSRLFDQFFGEGLFEYDLLPFLSSTISPYYRQSLFRTVLDSGISEVRSDRDKFVIFLDVKHFSPEDLTVKVQDDFVEIHGKHNERQDDHGYISREFHRRYRLPSNVDQSALSCSLSADGMLTFCGPKIQTGLDATHAERAIPVSREEKPTSAPSS
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]                                                (00:00:07)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:07)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:07)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:07)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:07)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:56)

• Minimal score value: -4.2482
• Maximal score value: 2.1412
• Average score: -0.7226
• Total score value: -125.0076

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	A	0.9620
2	D	A	-0.2734
3	V	A	1.4591
4	T	A	0.9176
5	I	A	1.5109
6	Q	A	-0.3651
7	H	A	-0.2000
8	P	A	-0.1091
9	W	A	0.1469
10	F	A	-0.4791
11	K	A	-1.2934
12	R	A	-1.7289
13	T	A	-0.2921
14	L	A	0.2844
15	G	A	-0.0285
16	P	A	0.4625
17	F	A	1.9673
18	Y	A	1.0312
19	P	A	0.0670
20	S	A	-0.5737
21	R	A	-1.9895
22	L	A	-0.1212
23	F	A	0.4650
24	D	A	-0.6847
25	Q	A	0.0000
26	F	A	0.0000
27	F	A	0.6901
28	G	A	-0.2424
29	E	A	-1.4047
30	G	A	-0.6180
31	L	A	1.3430
32	F	A	1.4605
33	E	A	-0.5782
34	Y	A	0.6159
35	D	A	-0.3168
36	L	A	1.2285
37	L	A	1.2536
38	P	A	1.1150
39	F	A	2.1412
40	L	A	0.7665
41	S	A	0.6057
42	S	A	0.8676
43	T	A	1.1086
44	I	A	1.8878
45	S	A	1.1899
46	P	A	0.8277
47	Y	A	0.4185
48	Y	A	0.2998
49	R	A	-0.2905
50	Q	A	-0.7914
51	S	A	0.0000
52	L	A	0.6639
53	F	A	0.9597
54	R	A	0.0862
55	T	A	0.2478
56	V	A	1.3185
57	L	A	0.1711
58	D	A	-1.2116
59	S	A	-0.8393
60	G	A	-0.4054
61	I	A	1.1685
62	S	A	-0.3950
63	E	A	-1.6398
64	V	A	0.0000
65	R	A	-1.8229
66	S	A	-2.1244
67	D	A	-3.0617
68	R	A	-3.2434
69	D	A	-1.9591
70	K	A	-1.7394
71	F	A	0.0000
72	V	A	-0.0015
73	I	A	0.0000
74	F	A	-0.4415
75	L	A	0.0000
76	D	A	-2.5644
77	V	A	0.0000
78	K	A	-2.5069
79	H	A	-2.4767
80	F	A	0.0000
81	S	A	0.0000
82	P	A	0.0000
83	E	A	-2.1256
84	D	A	0.0000
85	L	A	0.0000
86	T	A	-0.9868
87	V	A	0.0000
88	K	A	-1.9661
89	V	A	0.0000
90	Q	A	-2.8973
91	D	A	-3.2769
92	D	A	-3.1929
93	F	A	-1.6189
94	V	A	0.0000
95	E	A	-2.0592
96	I	A	0.0000
97	H	A	-2.2729
98	G	A	0.0000
99	K	A	-3.3836
100	H	A	-2.8018
101	N	A	-2.7861
102	E	A	-2.8584
103	R	A	-3.1605
104	Q	A	-3.5271
105	D	A	-3.8879
106	D	A	-3.4723
107	H	A	-2.1956
108	G	A	-0.6601
109	Y	A	0.5918
110	I	A	1.5165
111	S	A	-0.7864
112	R	A	-1.9865
113	E	A	-2.9747
114	F	A	-2.0830
115	H	A	-2.3317
116	R	A	-1.7181
117	R	A	-1.9501
118	Y	A	-0.7676
119	R	A	-1.0716
120	L	A	-0.2821
121	P	A	-0.2426
122	S	A	-0.6059
123	N	A	0.0000
124	V	A	0.0000
125	D	A	-0.8394
126	Q	A	0.0000
127	S	A	-0.6144
128	A	A	-0.3135
129	L	A	-0.2870
130	S	A	-0.3540
131	C	A	0.0000
132	S	A	-1.0130
133	L	A	-0.5568
134	S	A	-0.0257
135	A	A	-0.3381
136	D	A	-1.7756
137	G	A	-1.4052
138	M	A	0.0000
139	L	A	0.0000
140	T	A	0.0159
141	F	A	0.0000
142	C	A	-0.2342
143	G	A	0.0000
144	P	A	-0.7869
145	K	A	-1.2129
146	I	A	0.3883
147	Q	A	-0.7863
148	T	A	-0.4866
149	G	A	-0.2887
150	L	A	0.2644
151	D	A	-1.4304
152	A	A	-0.6255
153	T	A	-0.6868
154	H	A	-2.1054
155	A	A	-2.1229
156	E	A	-3.2006
157	R	A	-2.4931
158	A	A	-1.3132
159	I	A	-0.5363
160	P	A	-0.6860
161	V	A	-0.7916
162	S	A	-1.8888
163	R	A	-3.7150
164	E	A	-4.1022
165	E	A	-4.2482
166	K	A	-3.5186
167	P	A	-1.7711
168	T	A	-1.1111
169	S	A	-1.7390
170	A	A	-0.8782
171	P	A	-1.1142
172	S	A	-1.6797
173	S	A	-1.6738