Project name: April_A3D

Chain sequence(s)	A: QEQNQEQPIRCEKDERFFSDKIAKYIPIQYVLSRYPSYGLNYYQQKPVALINNQFLPYPYYAKPAAVRSPAQILQWQVLSNTVPAKSCQAQPTTMARHPHPHLSFMAIPPKKNQDKTEIPTINTIASGEPTSTPTTEAVESTVATLEDSPEVIESPPEINTVQVTSTAV
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                                          (00:00:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)

• Minimal score value: -4.313
• Maximal score value: 2.877
• Average score: -0.2087
• Total score value: -35.2654

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	Q	A	-2.3355
2	E	A	-3.4655
3	Q	A	-3.2815
4	N	A	-3.3436
5	Q	A	-3.4985
6	E	A	-3.1015
7	Q	A	-2.1749
8	P	A	-0.6357
9	I	A	0.4699
10	R	A	-1.4512
11	C	A	-1.1833
12	E	A	-3.2445
13	K	A	-4.3130
14	D	A	-4.2202
15	E	A	-3.5548
16	R	A	-2.1489
17	F	A	0.9499
18	F	A	1.5173
19	S	A	0.0737
20	D	A	-1.2896
21	K	A	-1.5255
22	I	A	0.7318
23	A	A	0.2033
24	K	A	-0.2632
25	Y	A	1.9597
26	I	A	2.4419
27	P	A	1.6595
28	I	A	2.7359
29	Q	A	1.3717
30	Y	A	2.6114
31	V	A	2.6460
32	L	A	2.0195
33	S	A	0.7131
34	R	A	-0.6936
35	Y	A	0.5423
36	P	A	0.0241
37	S	A	0.5707
38	Y	A	1.2966
39	G	A	0.6196
40	L	A	1.4812
41	N	A	0.1408
42	Y	A	1.2426
43	Y	A	0.5237
44	Q	A	-1.4712
45	Q	A	-1.8954
46	K	A	-2.0881
47	P	A	-0.5337
48	V	A	1.6453
49	A	A	1.8754
50	L	A	2.2331
51	I	A	1.9109
52	N	A	-0.4415
53	N	A	-0.6811
54	Q	A	-0.6314
55	F	A	1.6355
56	L	A	2.1140
57	P	A	1.6439
58	Y	A	2.3316
59	P	A	1.4514
60	Y	A	2.0108
61	Y	A	1.5888
62	A	A	0.0491
63	K	A	-1.2964
64	P	A	-0.6189
65	A	A	-0.2642
66	A	A	0.0327
67	V	A	0.8194
68	R	A	-1.1353
69	S	A	-0.8837
70	P	A	-0.6207
71	A	A	-0.2054
72	Q	A	-0.0426
73	I	A	1.9543
74	L	A	1.7735
75	Q	A	0.3876
76	W	A	1.4831
77	Q	A	0.5084
78	V	A	1.8907
79	L	A	1.7240
80	S	A	0.4379
81	N	A	-0.3178
82	T	A	0.2725
83	V	A	1.1055
84	P	A	-0.0591
85	A	A	-0.3774
86	K	A	-1.5835
87	S	A	-1.0446
88	C	A	-0.5868
89	Q	A	-1.4434
90	A	A	-1.0827
91	Q	A	-1.5720
92	P	A	-0.9024
93	T	A	-0.2865
94	T	A	-0.0903
95	M	A	0.3292
96	A	A	-0.6716
97	R	A	-2.2183
98	H	A	-2.1531
99	P	A	-1.8833
100	H	A	-1.8237
101	P	A	-1.0575
102	H	A	-0.4848
103	L	A	1.4184
104	S	A	1.4464
105	F	A	2.8770
106	M	A	2.6329
107	A	A	1.9177
108	I	A	2.0922
109	P	A	0.0701
110	P	A	-1.3102
111	K	A	-2.9943
112	K	A	-3.7418
113	N	A	-4.0060
114	Q	A	-3.9268
115	D	A	-4.0988
116	K	A	-3.4948
117	T	A	-1.9733
118	E	A	-1.7673
119	I	A	0.9963
120	P	A	0.5671
121	T	A	0.6706
122	I	A	1.7612
123	N	A	0.0116
124	T	A	0.7900
125	I	A	1.9248
126	A	A	0.8283
127	S	A	-0.4173
128	G	A	-1.4928
129	E	A	-2.2282
130	P	A	-1.2994
131	T	A	-0.7292
132	S	A	-0.3968
133	T	A	-0.3736
134	P	A	-0.4003
135	T	A	-0.6582
136	T	A	-1.0446
137	E	A	-1.6287
138	A	A	-0.4915
139	V	A	0.4570
140	E	A	-1.2644
141	S	A	-0.3914
142	T	A	0.3110
143	V	A	1.8642
144	A	A	1.3074
145	T	A	0.6936
146	L	A	0.4460
147	E	A	-2.0301
148	D	A	-2.5297
149	S	A	-1.8137
150	P	A	-1.2581
151	E	A	-0.8425
152	V	A	1.3141
153	I	A	1.4834
154	E	A	-0.7822
155	S	A	-0.9413
156	P	A	-1.1002
157	P	A	-0.9583
158	E	A	-1.3618
159	I	A	0.4468
160	N	A	-0.4969
161	T	A	0.3358
162	V	A	1.2698
163	Q	A	0.3251
164	V	A	1.5521
165	T	A	0.5729
166	S	A	0.1422
167	T	A	0.2369
168	A	A	0.8487
169	V	A	1.7856