Project name: raul mut [mutate: HA15A]

Chain sequence(s)	A: MRPPQFTRAQWFAIQHISLNPPRCTIAMRAINNYRWRCKNQNTFLRTTFANVVNVCGNQSIRCPHNRTLNNCHRSRFRVPLLHCDLINPGAQNISNCRYADRPGRRFYVVACDNRDPRDSPRYPVVPVHLDTTI
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	HA15A
Energy difference between WT (input) and mutated protein (by FoldX)	1.53255 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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]       FoldX:    Building mutant model                                                       (00:02:05)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:32)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:29)

• Minimal score value: -2.0025
• Maximal score value: 2.0103
• Average score: -0.3448
• Total score value: -46.2041

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	0.9170
1	R	A	-0.5326
2	P	A	0.0000
3	P	A	-0.4734
4	Q	A	-1.1787
5	F	A	0.1442
6	T	A	0.0000
7	R	A	-0.7806
8	A	A	0.0000
9	Q	A	-0.7136
10	W	A	-0.0043
11	F	A	0.0000
12	A	A	0.1797
13	I	A	0.7415
14	Q	A	-0.0506
15	A	A	0.0000	mutated: HA15A
16	I	A	0.2222
17	S	A	0.2483
18	L	A	1.0137
19	N	A	-1.0238
20	P	A	-0.3105
21	P	A	-0.5281
22	R	A	-1.8775
23	C	A	0.0000
24	T	A	0.1761
25	I	A	1.0059
26	A	A	0.1921
27	M	A	0.0000
28	R	A	-1.8350
29	A	A	-0.2906
30	I	A	0.0000
31	N	A	-0.5238
32	N	A	-1.1691
33	Y	A	0.2847
34	R	A	-0.7829
35	W	A	0.7348
36	R	A	-1.1036
37	C	A	0.0000
38	K	A	-0.5258
39	N	A	-1.5175
40	Q	A	-1.2770
41	N	A	0.0000
42	T	A	-0.0085
43	F	A	0.0000
44	L	A	0.0000
45	R	A	-0.5788
46	T	A	0.0000
47	T	A	0.0650
48	F	A	0.4741
49	A	A	-0.0521
50	N	A	-0.9115
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	-0.5219
57	N	A	-0.6092
58	Q	A	-1.2759
59	S	A	-0.2081
60	I	A	0.3629
61	R	A	-1.9163
62	C	A	0.0000
63	P	A	-0.2654
64	H	A	-1.1460
65	N	A	-1.3011
66	R	A	-2.0025
67	T	A	-0.2834
68	L	A	0.4350
69	N	A	-1.5333
70	N	A	-0.7095
71	C	A	0.0000
72	H	A	0.0000
73	R	A	-0.6853
74	S	A	0.0000
75	R	A	-1.6899
76	F	A	0.1356
77	R	A	-1.7271
78	V	A	0.0000
79	P	A	-0.4139
80	L	A	0.0000
81	L	A	0.1341
82	H	A	0.0000
83	C	A	0.0000
84	D	A	-0.3539
85	L	A	0.4289
86	I	A	1.5579
87	N	A	-0.0477
88	P	A	-0.3941
89	G	A	-0.5029
90	A	A	-0.1475
91	Q	A	-0.8784
92	N	A	-1.1876
93	I	A	0.8154
94	S	A	-0.2450
95	N	A	-1.2972
96	C	A	-0.4901
97	R	A	-1.7910
98	Y	A	0.0000
99	A	A	-0.0417
100	D	A	-0.6203
101	R	A	-1.3489
102	P	A	-0.4817
103	G	A	-0.5077
104	R	A	-1.9797
105	R	A	-1.0584
106	F	A	-0.1138
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	-1.0844
113	N	A	-1.3893
114	R	A	-0.6336
115	D	A	-0.5194
116	P	A	-0.6628
117	R	A	-1.9226
118	D	A	-0.5336
119	S	A	-0.1798
120	P	A	-0.6160
121	R	A	-1.8136
122	Y	A	0.0483
123	P	A	-0.0315
124	V	A	0.5826
125	V	A	0.0000
126	P	A	0.0000
127	V	A	0.0796
128	H	A	-0.8853
129	L	A	0.0841
130	D	A	-0.1862
131	T	A	-0.0587
132	T	A	0.3553
133	I	A	2.0103