Project name: 44f73ae7ce9fda4

Chain sequence(s)	A: MDYPFEPRRQIEHCRQRCQDRSQGFRETRECLETCEKRAGFDDEPSKEVDSYTTDTRSRDPQQEFRQCRHRCQTQEEGGRQQRKCEQRCEKQLERQQGYDDEEFGQGRSNIGAPVRNYDDCTEMCGGSPLCALFCE
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                                          (00:03:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:28)

• Minimal score value: -5.0585
• Maximal score value: 2.704
• Average score: -2.3335
• Total score value: -317.3583

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	0.4644
2	D	A	-0.3718
3	Y	A	1.1212
4	P	A	0.8593
5	F	A	0.9739
6	E	A	-0.6447
7	P	A	-1.8226
8	R	A	-3.2804
9	R	A	-3.8147
10	Q	A	-3.5735
11	I	A	-3.6727
12	E	A	-4.1466
13	H	A	-3.8841
14	C	A	-3.3631
15	R	A	-3.9304
16	Q	A	-4.1764
17	R	A	-4.3824
18	C	A	0.0000
19	Q	A	-3.9049
20	D	A	-4.3473
21	R	A	-4.2810
22	S	A	-3.6511
23	Q	A	-2.5182
24	G	A	-1.7829
25	F	A	-1.0266
26	R	A	-3.0912
27	E	A	-4.0901
28	T	A	-3.6584
29	R	A	-3.5221
30	E	A	-3.8913
31	C	A	-3.2043
32	L	A	-3.4043
33	E	A	-3.9027
34	T	A	-2.9046
35	C	A	0.0000
36	E	A	-3.5281
37	K	A	-3.6437
38	R	A	-3.4524
39	A	A	-2.8114
40	G	A	-2.0645
41	F	A	-1.9447
42	D	A	-3.4082
43	D	A	-3.4118
44	E	A	-3.3574
45	P	A	-2.6484
46	S	A	-2.3001
47	K	A	-2.7959
48	E	A	-2.4565
49	V	A	-0.4190
50	D	A	-1.5236
51	S	A	-0.3294
52	Y	A	0.7444
53	T	A	-0.2787
54	T	A	-0.9218
55	D	A	-2.6202
56	T	A	-2.3211
57	R	A	-3.1153
58	S	A	-2.6128
59	R	A	-3.8236
60	D	A	-2.9941
61	P	A	-3.2745
62	Q	A	-3.0351
63	Q	A	-3.6120
64	E	A	-3.9484
65	F	A	-3.9906
66	R	A	-4.1884
67	Q	A	-3.8506
68	C	A	-3.9960
69	R	A	-5.0585
70	H	A	-4.2190
71	R	A	-4.2011
72	C	A	0.0000
73	Q	A	-3.9853
74	T	A	-2.7959
75	Q	A	-3.1749
76	E	A	-3.4546
77	E	A	-3.0287
78	G	A	-2.7126
79	G	A	-2.8627
80	R	A	-3.7780
81	Q	A	-4.1141
82	Q	A	-4.9032
83	R	A	-4.8353
84	K	A	-4.3915
85	C	A	-4.5056
86	E	A	-4.9206
87	Q	A	-4.2368
88	R	A	-4.4732
89	C	A	0.0000
90	E	A	-4.2604
91	K	A	-4.4661
92	Q	A	-4.3318
93	L	A	0.0000
94	E	A	-3.9936
95	R	A	-4.2350
96	Q	A	-3.8733
97	Q	A	-2.6120
98	G	A	-2.3229
99	Y	A	-2.0437
100	D	A	-3.9808
101	D	A	-3.7900
102	E	A	-3.7970
103	E	A	-2.7355
104	F	A	-0.2908
105	G	A	-0.9135
106	Q	A	-1.6966
107	G	A	-2.2577
108	R	A	-2.5484
109	S	A	-1.4135
110	N	A	-1.0833
111	I	A	0.8262
112	G	A	0.2541
113	A	A	-0.1454
114	P	A	-0.4896
115	V	A	-1.0591
116	R	A	-2.2836
117	N	A	-2.1718
118	Y	A	-1.2702
119	D	A	-2.7548
120	D	A	-2.9657
121	C	A	-1.2427
122	T	A	-1.5697
123	E	A	-2.3503
124	M	A	-0.6491
125	C	A	-0.0994
126	G	A	-0.8715
127	G	A	-0.6639
128	S	A	0.2807
129	P	A	0.8570
130	L	A	2.3539
131	C	A	1.9598
132	A	A	1.7844
133	L	A	2.6413
134	F	A	2.7040
135	C	A	1.0278
136	E	A	-0.4037