Project name: XAP205 [mutate: QQ34A, RQ33A, RQ35A, VQ36A, PI72A]

Chain sequence(s)	A: SMANKPMQPITSTANKIVWSDPTRLSTTFSASLLRQRVKVGELNNVSGQYVSVYKRPAPMPNENQSIRTVISGSAENLATLKAEWETHKRNVDTLFASGNAGLGFLDPTAAIVSSDTT
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	RQ33A,PI72A,VQ36A,RQ35A,QQ34A
Energy difference between WT (input) and mutated protein (by FoldX)	2.87552 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                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:01:12)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:57)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:36)

• Minimal score value: -2.0736
• Maximal score value: 2.1385
• Average score: -0.167
• Total score value: -19.7016

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	S	A	-0.0177
0	M	A	1.0247
1	A	A	0.0082
2	N	A	-1.4826
3	K	A	-1.4893
4	P	A	-0.4156
5	M	A	0.0545
6	Q	A	-1.0336
7	P	A	0.0170
8	I	A	1.6884
9	T	A	0.2371
10	S	A	-0.1628
11	T	A	-0.0907
12	A	A	-0.1891
13	N	A	-1.3917
14	K	A	-0.8385
15	I	A	0.4411
16	V	A	0.4121
17	W	A	0.2922
18	S	A	0.0000
19	D	A	0.0000
20	P	A	-0.2256
21	T	A	-0.2484
22	R	A	-0.4774
23	L	A	1.3905
24	S	A	0.2018
25	T	A	0.0165
26	T	A	0.1395
27	F	A	0.7993
28	S	A	0.1679
29	A	A	0.0423
30	S	A	-0.0540
31	L	A	0.7782
32	L	A	1.1330
33	Q	A	-1.0190	mutated: RQ33A
34	Q	A	-1.0506	mutated: QQ34A
35	Q	A	-1.4920	mutated: RQ35A
36	Q	A	-1.2577	mutated: VQ36A
37	K	A	-1.7514
38	V	A	1.3717
39	G	A	-0.1413
42	E	A	-1.9894
43	L	A	-0.0408
44	N	A	-0.4830
45	N	A	0.0000
46	V	A	0.2542
47	S	A	0.0244
48	G	A	0.0000
49	Q	A	-0.4416
50	Y	A	0.3575
51	V	A	0.1257
52	S	A	0.1270
53	V	A	0.2658
54	Y	A	0.2534
55	K	A	-1.0763
56	R	A	-1.4660
57	P	A	-0.5854
58	A	A	-0.0846
59	P	A	-0.2536
71	M	A	1.4172
72	I	A	2.0666	mutated: PI72A
73	N	A	-0.8560
74	E	A	-2.0736
75	N	A	-1.8386
76	Q	A	-1.1729
77	S	A	0.1532
78	I	A	1.6673
79	R	A	-1.4447
80	T	A	-0.0752
81	V	A	1.4415
82	I	A	0.5320
83	S	A	-0.1679
84	G	A	-0.1212
85	S	A	-0.0338
86	A	A	-0.1912
87	E	A	-1.8998
88	N	A	-1.4135
89	L	A	0.6631
90	A	A	0.1968
91	T	A	-0.0138
92	L	A	-0.1535
93	K	A	-1.6517
94	A	A	-0.5494
95	E	A	-1.3140
96	W	A	-0.2316
97	E	A	-1.7445
98	T	A	-0.5551
99	H	A	-0.9353
100	K	A	-1.6439
101	R	A	-1.1497
102	N	A	-0.1744
103	V	A	0.3725
104	D	A	-1.5921
105	T	A	-0.2761
106	L	A	0.5277
107	F	A	1.8848
108	A	A	0.1295
109	S	A	-0.2389
110	G	A	-0.4498
111	N	A	-1.3095
112	A	A	0.0608
113	G	A	-0.1856
114	L	A	1.3796
115	G	A	0.1718
116	F	A	2.1385
117	L	A	1.5932
118	D	A	-1.4224
119	P	A	-0.5729
120	T	A	-0.1145
121	A	A	0.0109
122	A	A	0.4141
123	I	A	2.0984
124	V	A	1.3866
125	S	A	-0.0353
126	S	A	-0.4663
127	D	A	-1.8206
128	T	A	-0.4092
129	T	A	-0.0835