Project name: AF-P76561_4ae95395a2765c2

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	VE7A
Energy difference between WT (input) and mutated protein (by FoldX)	0.725729 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                                        (00:02:19)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:31)

• Minimal score value: -3.534
• Maximal score value: 2.3396
• Average score: -0.5541
• Total score value: -128.544

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	-0.2484
2	K	A	-1.6087
3	H	A	-1.5366
4	D	A	-1.5315
5	H	A	-0.8605
6	F	A	0.0734
7	E	A	-0.9059	mutated: VE7A
8	V	A	-0.6109
9	Q	A	-1.0366
10	S	A	-1.4050
11	P	A	-1.9955
12	D	A	-2.7626
13	K	A	-2.7306
14	P	A	-1.8266
15	A	A	-1.8224
16	Q	A	-1.4354
17	Q	A	-0.9293
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	0.3657
26	G	A	-0.8531
27	D	A	-0.8128
28	N	A	-0.3021
29	P	A	0.0000
30	V	A	1.0466
31	A	A	0.1971
32	M	A	0.0000
33	G	A	0.0000
34	E	A	-1.3308
35	I	A	-0.3582
36	G	A	0.0000
37	N	A	-1.1553
38	W	A	-0.1583
39	F	A	0.0000
40	A	A	-0.2534
41	P	A	-0.2169
42	L	A	0.3606
43	F	A	0.0000
44	P	A	-0.9318
45	D	A	-1.7918
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	-1.3693
55	E	A	-2.3002
56	P	A	-1.7558
57	S	A	-1.4010
58	G	A	-1.3999
59	N	A	-1.4804
60	P	A	-0.8886
61	A	A	-0.5873
62	G	A	0.0000
63	R	A	-1.6568
64	Q	A	-0.8798
65	W	A	0.0000
66	F	A	0.0000
67	S	A	-0.4794
68	V	A	0.2923
69	Q	A	-0.8953
70	G	A	-0.6793
71	I	A	-0.7585
72	T	A	-1.6157
73	E	A	-2.8122
74	D	A	-2.8567
75	N	A	-1.9076
76	R	A	-1.7678
77	Q	A	-1.6731
78	A	A	-1.4503
79	R	A	-0.9133
80	V	A	0.0000
81	D	A	-1.9291
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	-2.1444
98	S	A	-1.6334
99	G	A	-1.6777
100	V	A	0.0000
101	G	A	-1.2975
102	A	A	-0.8665
103	N	A	-1.2922
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	-0.7988
123	A	A	-0.7896
124	E	A	-0.9219
125	P	A	-0.7805
126	G	A	-0.7659
127	L	A	0.0000
128	A	A	0.0000
129	S	A	0.0000
130	R	A	-0.4436
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	-0.5501
141	L	A	0.0567
142	P	A	0.0000
143	E	A	-1.7243
144	T	A	-0.8134
145	A	A	-0.4271
146	S	A	-0.4697
147	T	A	-0.5534
148	A	A	-0.3900
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	-2.1532
158	E	A	-2.8535
159	D	A	0.0000
160	P	A	-0.4356
161	V	A	0.9288
162	I	A	0.0000
163	D	A	-1.6722
164	L	A	-0.6024
165	A	A	-0.3937
166	H	A	-0.6494
167	A	A	0.0000
168	V	A	-0.0343
169	A	A	-0.1118
170	A	A	0.0000
171	Q	A	-0.2719
172	E	A	-1.0658
173	A	A	-0.5062
174	L	A	0.0000
175	I	A	1.1108
176	S	A	-0.1463
177	A	A	-0.4063
178	G	A	0.1025
179	G	A	0.0000
180	D	A	-0.0400
181	V	A	0.1830
182	T	A	0.3125
183	L	A	0.3905
184	D	A	0.2974
185	I	A	0.3059
186	V	A	0.0000
187	E	A	-2.9127
188	D	A	-3.1252
189	L	A	0.0000
190	G	A	-1.5735
191	H	A	-0.3365
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	-0.5455
204	H	A	0.1135
205	L	A	0.0000
206	R	A	0.4510
207	Y	A	1.3473
208	T	A	1.2272
209	I	A	2.3396
210	P	A	0.0000
211	K	A	-0.1953
212	H	A	-0.2767
213	Y	A	1.2054
214	F	A	0.9567
215	D	A	-1.4846
216	E	A	-1.9587
217	A	A	-0.4707
218	L	A	0.5854
219	S	A	-0.8224
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	-3.0987
227	D	A	-2.3027
228	V	A	0.2811
229	I	A	0.3209
230	E	A	-0.1871
231	M	A	0.6568
232	M	A	0.9285