Project name: AF-P76561_a524ff44751429c

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	IN209A
Energy difference between WT (input) and mutated protein (by FoldX)	0.855272 kcal/mol

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                                                       (00:02:13)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:21)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:40)

• Minimal score value: -3.534
• Maximal score value: 1.467
• Average score: -0.5725
• Total score value: -132.822

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	-0.2456
2	K	A	-1.6056
3	H	A	-1.5291
4	D	A	-1.5571
5	H	A	-0.3965
6	F	A	1.0399
7	V	A	1.4670
8	V	A	0.5655
9	Q	A	-0.2680
10	S	A	-0.8215
11	P	A	-1.9564
12	D	A	-2.7468
13	K	A	-2.7155
14	P	A	-1.8064
15	A	A	-1.7775
16	Q	A	-1.4483
17	Q	A	-0.9226
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	0.3604
26	G	A	-0.8602
27	D	A	-0.8081
28	N	A	-0.3126
29	P	A	0.0000
30	V	A	1.3933
31	A	A	0.2063
32	M	A	0.0000
33	G	A	0.0000
34	E	A	-1.3071
35	I	A	-0.3191
36	G	A	0.0000
37	N	A	-1.0629
38	W	A	-0.1139
39	F	A	0.0000
40	A	A	-0.2010
41	P	A	-0.1985
42	L	A	0.3711
43	F	A	0.0000
44	P	A	-0.9087
45	D	A	-1.7582
46	A	A	0.0000
47	L	A	-0.6719
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	-1.3689
55	E	A	-2.3025
56	P	A	-1.7614
57	S	A	-1.4079
58	G	A	-1.4027
59	N	A	-1.4834
60	P	A	-0.8912
61	A	A	-0.5832
62	G	A	0.0000
63	R	A	-1.6747
64	Q	A	-0.8899
65	W	A	0.0000
66	F	A	0.0000
67	S	A	-0.4816
68	V	A	0.2920
69	Q	A	-0.8953
70	G	A	-0.6795
71	I	A	-0.7591
72	T	A	-1.6164
73	E	A	-2.8130
74	D	A	-2.8574
75	N	A	-1.9087
76	R	A	-1.7701
77	Q	A	-1.6742
78	A	A	-1.4510
79	R	A	-0.9140
80	V	A	0.0000
81	D	A	-1.9294
82	A	A	-0.8989
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	-2.1287
98	S	A	-1.6012
99	G	A	-1.6777
100	V	A	0.0000
101	G	A	-1.2975
102	A	A	-0.8412
103	N	A	-1.3031
104	A	A	0.0000
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	0.4363
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	-0.7976
123	A	A	-0.7896
124	E	A	-0.9219
125	P	A	-0.7805
126	G	A	-0.7448
127	L	A	0.0000
128	A	A	0.0000
129	S	A	0.0000
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	-0.5444
141	L	A	0.0679
142	P	A	0.0000
143	E	A	-1.7221
144	T	A	-0.8122
145	A	A	-0.4271
146	S	A	-0.4680
147	T	A	-0.6395
148	A	A	-0.4381
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	-2.1243
158	E	A	-2.8396
159	D	A	0.0000
160	P	A	-0.4321
161	V	A	0.9288
162	I	A	0.0000
163	D	A	-1.6635
164	L	A	-0.5896
165	A	A	-0.3830
166	H	A	-0.6330
167	A	A	0.0000
168	V	A	-0.0295
169	A	A	-0.1048
170	A	A	0.0000
171	Q	A	-0.2687
172	E	A	-1.0632
173	A	A	-0.5038
174	L	A	0.0000
175	I	A	1.1108
176	S	A	-0.1463
177	A	A	-0.4062
178	G	A	0.1026
179	G	A	0.0000
180	D	A	-0.0367
181	V	A	0.1679
182	T	A	0.3123
183	L	A	0.3905
184	D	A	0.3008
185	I	A	0.3145
186	V	A	0.0000
187	E	A	-2.9022
188	D	A	-3.1171
189	L	A	0.0000
190	G	A	-1.5668
191	H	A	-0.3329
192	A	A	0.1805
193	I	A	-0.1556
194	D	A	-1.1338
195	N	A	-1.7104
196	R	A	-1.4759
197	S	A	0.0000
198	M	A	0.0000
199	Q	A	-1.1814
200	F	A	-0.2611
201	A	A	0.0000
202	L	A	0.0000
203	D	A	-0.5459
204	H	A	-0.3246
205	L	A	0.0000
206	R	A	-0.0006
207	Y	A	0.5158
208	T	A	-0.3737
209	N	A	-1.0205	mutated: IN209A
210	P	A	0.0000
211	K	A	-1.0762
212	H	A	-0.8646
213	Y	A	0.1026
214	F	A	0.6508
215	D	A	-1.4412
216	E	A	-2.0258
217	A	A	-0.4688
218	L	A	0.6421
219	S	A	-0.8182
220	G	A	-1.3781
221	G	A	-2.3836
222	K	A	-2.8915
223	P	A	-2.3716
224	G	A	-2.5283
225	D	A	-3.5340
226	D	A	-3.1354
227	D	A	-2.3917
228	V	A	0.0489
229	I	A	0.0282
230	E	A	-0.7286
231	M	A	0.1801
232	M	A	0.8867