Project name: AF-P76561_f92d5dda1145344

Chain sequence(s)	A: MKHDHFVVQSPDKPAQQLLLLFHGVGDNPVAMGEIGNWFAPLFPDALVVSVGGAEPSGNPAGRQWFSVQGITEDNRQARVDAIMPTFIETVRYWQKQSGVGANATALIGFSQGAIMVLESIKAEPGLASRVIAFNGRYASLPETASTATTIHLIHGGEDPVIDLAHAVAAQEALISAGGDVTLDIVEDLGHAIDNRSMQFALDHLRYTIPKHYFDEALSGGKPGDDDVIEMM
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	VE30A,ME232A,VE7A,YE213A,IR175A,IQ209A,VE161A,FR214A,YE207A,LD218A,ID229A,VE228A
Energy difference between WT (input) and mutated protein (by FoldX)	3.41526 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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]       FoldX:    Building mutant model                                                       (00:02:30)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:07:54)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:09:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:32)

• Minimal score value: -5.0606
• Maximal score value: 0.4142
• Average score: -1.0664
• Total score value: -247.3977

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	-0.2499
2	K	A	-1.6124
3	H	A	-1.5447
4	D	A	-2.0110
5	H	A	-1.6858
6	F	A	-1.3021
7	E	A	-1.5208	mutated: VE7A
8	V	A	-1.1595
9	Q	A	-1.0564
10	S	A	-1.3982
11	P	A	-2.0019
12	D	A	-2.7596
13	K	A	-2.7301
14	P	A	-1.8367
15	A	A	-1.8478
16	Q	A	-1.8844
17	Q	A	-1.3001
18	L	A	0.0000
19	L	A	0.0000
20	L	A	0.0000
21	L	A	0.0000
22	F	A	0.0000
23	H	A	0.0000
24	G	A	0.0000
25	V	A	0.1728
26	G	A	-0.9520
27	D	A	-1.3711
28	N	A	-1.4488
29	P	A	0.0000
30	E	A	-2.5663	mutated: VE30A
31	A	A	-1.5415
32	M	A	0.0000
33	G	A	0.0000
34	E	A	-2.1286
35	I	A	-0.7554
36	G	A	0.0000
37	N	A	-1.0679
38	W	A	-0.1157
39	F	A	0.0000
40	A	A	-0.2258
41	P	A	-0.2001
42	L	A	-0.0529
43	F	A	0.0000
44	P	A	-0.9411
45	D	A	-1.8121
46	A	A	0.0000
47	L	A	0.0000
48	V	A	0.0000
49	V	A	0.0000
50	S	A	0.0000
51	V	A	0.0000
52	G	A	0.0000
53	G	A	0.0000
54	A	A	-1.3721
55	E	A	-2.3019
56	P	A	-1.7787
57	S	A	-1.4441
58	G	A	-1.3999
59	N	A	-1.4826
60	P	A	-0.8886
61	A	A	-0.9589
62	G	A	0.0000
63	R	A	-1.7109
64	Q	A	-0.9542
65	W	A	0.0000
66	F	A	0.0000
67	S	A	-0.5067
68	V	A	0.2620
69	Q	A	-0.8953
70	G	A	-0.6776
71	I	A	-0.7546
72	T	A	-1.6113
73	E	A	-2.8076
74	D	A	-2.8528
75	N	A	-1.9009
76	R	A	-1.7540
77	Q	A	-1.6673
78	A	A	-1.4465
79	R	A	-0.9089
80	V	A	0.0000
81	D	A	-1.9275
82	A	A	-0.8991
83	I	A	-0.4140
84	M	A	0.0000
85	P	A	-0.9852
86	T	A	-0.7566
87	F	A	0.0000
88	I	A	-0.8277
89	E	A	-1.6941
90	T	A	0.0000
91	V	A	0.0000
92	R	A	-1.5027
93	Y	A	-1.1700
94	W	A	0.0000
95	Q	A	0.0000
96	K	A	-2.5022
97	Q	A	-2.1444
98	S	A	-1.6429
99	G	A	-1.6870
100	V	A	0.0000
101	G	A	-1.3070
102	A	A	-0.8485
103	N	A	-2.0711
104	A	A	-1.4205
105	T	A	0.0000
106	A	A	0.0000
107	L	A	0.0000
108	I	A	0.0000
109	G	A	0.0000
110	F	A	0.4142
111	S	A	0.0000
112	Q	A	0.0000
113	G	A	0.0000
114	A	A	0.0000
115	I	A	0.0000
116	M	A	0.0000
117	V	A	0.0000
118	L	A	0.0000
119	E	A	0.0000
120	S	A	0.0000
121	I	A	0.0000
122	K	A	-0.7988
123	A	A	-0.7896
124	E	A	-0.9219
125	P	A	-0.7834
126	G	A	-0.7508
127	L	A	0.0000
128	A	A	0.0000
129	S	A	-0.5755
130	R	A	0.0000
131	V	A	0.0000
132	I	A	0.0000
133	A	A	0.0000
134	F	A	0.0000
135	N	A	0.0000
136	G	A	0.0000
137	R	A	0.0000
138	Y	A	0.0000
139	A	A	0.0000
140	S	A	-0.5473
141	L	A	0.0619
142	P	A	0.0000
143	E	A	-1.7243
144	T	A	-1.2187
145	A	A	-1.0102
146	S	A	-0.4539
147	T	A	-0.7571
148	A	A	-0.6082
149	T	A	0.0000
150	T	A	0.0000
151	I	A	0.0000
152	H	A	0.0000
153	L	A	0.0000
154	I	A	0.0000
155	H	A	0.0000
156	G	A	0.0000
157	G	A	-2.1482
158	E	A	-3.2923
159	D	A	0.0000
160	P	A	-2.1509
161	E	A	-2.6604	mutated: VE161A
162	I	A	0.0000
163	D	A	-2.5805
164	L	A	-0.9979
165	A	A	-0.3556
166	H	A	-0.6091
167	A	A	0.0000
168	V	A	0.0683
169	A	A	-0.4478
170	A	A	0.0000
171	Q	A	-1.3129
172	E	A	-2.3667
173	A	A	-1.7053
174	L	A	0.0000
175	R	A	-2.7833	mutated: IR175A
176	S	A	-1.9993
177	A	A	-1.6515
178	G	A	-1.2752
179	G	A	0.0000
180	D	A	-0.9455
181	V	A	0.0000
182	T	A	-0.2242
183	L	A	0.3597
184	D	A	0.3066
185	I	A	0.3254
186	V	A	0.0000
187	E	A	-2.9100
188	D	A	-3.1240
189	L	A	0.0000
190	G	A	-2.1506
191	H	A	-1.2679
192	A	A	-0.1890
193	I	A	-0.1738
194	D	A	-1.1429
195	N	A	-1.7164
196	R	A	-1.4815
197	S	A	0.0000
198	M	A	0.0000
199	Q	A	-1.2489
200	F	A	-0.3721
201	A	A	0.0000
202	L	A	0.0000
203	D	A	-1.8192
204	H	A	-1.4883
205	L	A	0.0000
206	R	A	-2.5110
207	E	A	-3.2090	mutated: YE207A
208	T	A	-1.9263
209	Q	A	-2.6136	mutated: IQ209A
210	P	A	0.0000
211	K	A	-2.5515
212	H	A	-2.9616
213	E	A	-3.9950	mutated: YE213A
214	R	A	-4.4842	mutated: FR214A
215	D	A	-4.3427
216	E	A	-4.6027
217	A	A	-3.6678
218	D	A	-3.7762	mutated: LD218A
219	S	A	-2.9969
220	G	A	-2.3744
221	G	A	-2.8992
222	K	A	-2.8915
223	P	A	-2.7315
224	G	A	-2.9502
225	D	A	-3.9615
226	D	A	-4.3562
227	D	A	-4.9755
228	E	A	-5.0606	mutated: VE228A
229	D	A	-4.8549	mutated: ID229A
230	E	A	-4.3395
231	M	A	-2.9607
232	E	A	-2.8869	mutated: ME232A