Project name: db79a563e7cf5b6

Chain sequence(s)	A: MVAKEIKSGIGNKGKIPWPRINTDMNFLETMTKKTRNKTKQNAAIMGRLTWESIPAKYRPLPERFNIVLSSKKFEDIAPGAHMVCSSLSFAMEKLRAPPLSDQIENVWIFGGAGVYEESMKHPDCDKLYVTEVLQEFPCDAFCPPIDSDIYKLIDHSDDPDVPKGEFVENGVKFKFEVYQR
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                                          (00:02:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:34)

• Minimal score value: -3.4591
• Maximal score value: 0.7731
• Average score: -0.9423
• Total score value: -170.5503

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	0.0000
2	V	A	0.0000
3	A	A	0.1288
4	K	A	0.0000
5	E	A	0.0000
6	I	A	-0.3319
7	K	A	-1.4784
8	S	A	-0.2952
9	G	A	0.0000
10	I	A	0.1362
11	G	A	-0.9714
12	N	A	-1.9073
13	K	A	-2.7604
14	G	A	-2.0079
15	K	A	-2.0295
16	I	A	-0.7534
17	P	A	-1.0063
18	W	A	0.0000
19	P	A	-1.3763
20	R	A	-2.1948
21	I	A	0.0000
22	N	A	-1.7646
23	T	A	-0.7629
24	D	A	0.0000
25	M	A	-0.9889
26	N	A	-1.4441
27	F	A	-0.6126
28	L	A	-0.5213
29	E	A	-1.6160
30	T	A	-1.3849
31	M	A	-1.1146
32	T	A	0.0000
33	K	A	-2.4320
34	K	A	-3.0360
35	T	A	-2.9149
36	R	A	-3.3286
37	N	A	-3.3747
38	K	A	-3.0212
39	T	A	-2.0903
40	K	A	-2.8440
41	Q	A	-2.4881
42	N	A	0.0000
43	A	A	0.0000
44	A	A	0.0000
45	I	A	0.0000
46	M	A	0.0000
47	G	A	-0.0848
48	R	A	-0.6618
49	L	A	0.5123
50	T	A	-0.0969
51	W	A	0.0000
52	E	A	-0.7634
53	S	A	-0.5614
54	I	A	-0.2687
55	P	A	-0.4990
56	A	A	-0.7985
57	K	A	-1.2227
58	Y	A	0.1784
59	R	A	-0.6671
60	P	A	-0.7469
61	L	A	0.0000
62	P	A	-1.1340
63	E	A	-2.4599
64	R	A	0.0000
65	F	A	-0.5150
66	N	A	0.0000
67	I	A	0.0000
68	V	A	0.0000
69	L	A	0.2516
70	S	A	0.0000
71	S	A	-0.9142
72	K	A	-1.8677
73	K	A	-1.1828
74	F	A	-0.1227
75	E	A	-1.8108
76	D	A	-1.9385
77	I	A	-0.2650
78	A	A	0.0000
79	P	A	-0.5633
80	G	A	-0.4326
81	A	A	-0.2371
82	H	A	-0.2787
83	M	A	-0.2614
84	V	A	0.0282
85	C	A	0.0000
86	S	A	-0.1211
87	S	A	-0.2061
88	L	A	0.0000
89	S	A	-0.5103
90	F	A	0.2715
91	A	A	0.0000
92	M	A	-0.9048
93	E	A	-2.1963
94	K	A	-1.5629
95	L	A	0.0000
96	R	A	-2.6153
97	A	A	-1.6107
98	P	A	-1.2391
99	P	A	-1.0828
100	L	A	-1.4143
101	S	A	-1.8627
102	D	A	-2.5481
103	Q	A	-2.1509
104	I	A	0.0000
105	E	A	-1.9212
106	N	A	-0.8336
107	V	A	0.7731
108	W	A	0.0000
109	I	A	0.5869
110	F	A	0.5872
111	G	A	0.0000
112	G	A	-0.0722
113	A	A	-0.5637
114	G	A	-1.3617
115	V	A	-1.4145
116	Y	A	-1.5094
117	E	A	-3.1149
118	E	A	-3.4591
119	S	A	-2.1931
120	M	A	-2.4712
121	K	A	-3.3115
122	H	A	-2.6187
123	P	A	-1.7785
124	D	A	-2.0795
125	C	A	-0.8140
126	D	A	-1.2333
127	K	A	-0.8627
128	L	A	-0.3160
129	Y	A	0.0306
130	V	A	0.0000
131	T	A	0.0000
132	E	A	-0.5847
133	V	A	0.0000
134	L	A	-0.6499
135	Q	A	-1.5750
136	E	A	-2.0969
137	F	A	-0.8433
138	P	A	-0.9824
139	C	A	-1.4124
140	D	A	-2.1031
141	A	A	-0.5273
142	F	A	0.2748
143	C	A	0.0000
144	P	A	-0.3677
145	P	A	-0.4428
146	I	A	-0.3641
147	D	A	-1.3907
148	S	A	-1.4122
149	D	A	-1.8502
150	I	A	-0.1996
151	Y	A	0.0000
152	K	A	-1.9014
153	L	A	-0.5007
154	I	A	-0.9292
155	D	A	-2.0181
156	H	A	-2.0125
157	S	A	-1.9061
158	D	A	-2.7463
159	D	A	-2.6852
160	P	A	-1.4139
161	D	A	-1.1595
162	V	A	-0.5122
163	P	A	-1.1528
164	K	A	-2.2384
165	G	A	-1.3936
166	E	A	-1.7453
167	F	A	0.1587
168	V	A	0.7074
169	E	A	-0.6061
170	N	A	-1.7049
171	G	A	-0.8311
172	V	A	-0.5914
173	K	A	-1.1087
174	F	A	0.0000
175	K	A	-0.9825
176	F	A	0.0000
177	E	A	-0.4621
178	V	A	0.0000
179	Y	A	-0.5318
180	Q	A	-0.8292
181	R	A	-1.2491