Project name: raul

Chain sequence(s)	A: MRPPQFTRAQWFAIQHISLNPPRCTIAMRAINNYRWRCKNQNTFLRTTFANVVNVCGNQSIRCPHNRTLNNCHRSRFRVPLLHCDLINPGAQNISNCRYADRPGRRFYVVACDNRDPRDSPRYPVVPVHLDTTI
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:06)

• Minimal score value: -2.1999
• Maximal score value: 1.9696
• Average score: -0.3664
• Total score value: -49.0963

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
0	M	A	0.9240
1	R	A	-0.4955
2	P	A	0.0000
3	P	A	-0.4734
4	Q	A	-1.1807
5	F	A	0.1330
6	T	A	0.0000
7	R	A	-0.8618
8	A	A	0.0000
9	Q	A	-0.7145
10	W	A	-0.0090
11	F	A	0.0000
12	A	A	0.1805
13	I	A	0.7562
14	Q	A	0.0071
15	H	A	0.0000
16	I	A	0.2224
17	S	A	0.2804
18	L	A	1.1821
19	N	A	-0.9917
20	P	A	-0.3056
21	P	A	-0.5300
22	R	A	-1.8780
23	C	A	0.0000
24	T	A	0.1750
25	I	A	1.0007
26	A	A	0.1911
27	M	A	0.0000
28	R	A	-1.8350
29	A	A	-0.2903
30	I	A	0.0000
31	N	A	-0.5215
32	N	A	-1.1700
33	Y	A	0.2864
34	R	A	-0.7548
35	W	A	0.7513
36	R	A	-1.0430
37	C	A	0.0000
38	K	A	-0.5068
39	N	A	-1.5274
40	Q	A	-1.3478
41	N	A	0.0000
42	T	A	-0.0250
43	F	A	0.0000
44	L	A	0.0000
45	R	A	-0.5492
46	T	A	0.0000
47	T	A	0.0648
48	F	A	0.4740
49	A	A	-0.0487
50	N	A	-0.8926
51	V	A	0.0000
52	V	A	-0.0505
53	N	A	-1.2398
54	V	A	0.0000
55	C	A	0.0000
56	G	A	-0.6054
57	N	A	-1.0537
58	Q	A	-1.3591
59	S	A	-0.2064
60	I	A	0.3596
61	R	A	-1.9170
62	C	A	0.0000
63	P	A	-0.2699
64	H	A	-1.1498
65	N	A	-1.3174
66	R	A	-2.0056
67	T	A	-0.2821
68	L	A	0.4422
69	N	A	-1.5284
70	N	A	-0.6902
71	C	A	0.0000
72	H	A	0.0000
73	R	A	-0.6925
74	S	A	0.0000
75	R	A	-1.7342
76	F	A	-0.1004
77	R	A	-1.9315
78	V	A	0.0000
79	P	A	-0.4299
80	L	A	0.0000
81	L	A	0.1096
82	H	A	-0.2396
83	C	A	0.0000
84	D	A	-0.3660
85	L	A	0.4998
86	I	A	1.9696
87	N	A	0.1660
88	P	A	-0.3680
89	G	A	-0.5029
90	A	A	-0.1889
91	Q	A	-1.1048
92	N	A	-1.2376
93	I	A	0.7707
94	S	A	-0.2531
95	N	A	-1.2979
96	C	A	-0.5009
97	R	A	-1.8297
98	Y	A	0.0000
99	A	A	-0.0413
100	D	A	-0.6179
101	R	A	-1.3510
102	P	A	-0.4861
103	G	A	-0.5436
104	R	A	-2.1999
105	R	A	-2.1934
106	F	A	-0.3294
107	Y	A	0.0000
108	V	A	0.0000
109	V	A	0.0000
110	A	A	0.0000
111	C	A	0.0000
112	D	A	-1.0713
113	N	A	-1.3882
114	R	A	-0.6357
115	D	A	-0.5219
116	P	A	-0.6632
117	R	A	-1.9228
118	D	A	-0.5350
119	S	A	-0.1826
120	P	A	-0.6164
121	R	A	-1.8128
122	Y	A	0.0528
123	P	A	-0.0322
124	V	A	0.5744
125	V	A	0.0000
126	P	A	0.0000
127	V	A	0.0823
128	H	A	-0.9069
129	L	A	-0.0363
130	D	A	-0.2087
131	T	A	-0.0591
132	T	A	0.2989
133	I	A	1.7100