Project name: 1d4de4a631db1ee [mutate: WY275A] [mutate: YA275A]

Chain sequence(s)	A: SMPLGVVTNSTLEVTEIDQLVCKDHLASTDQLKSVGLNLEGSGVSTDIPSATKRWGFRSGVPPKVVSYEAGEWAENCYNLEIKKPDGSECLPPPPDGVRGFPRCRYVHKAQGTGPCPGDYAFHKDGAFFLYDRLASTVIYRGVNFAEGVIAFLILAKPKETYYATSYLEYEIENFGAQHSTTLFKIDNNTFVRLDRPHTPQFLFQLNDTIHLHQQLSNTTGRLIYTLDANINADIGE
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	YA275A
Energy difference between WT (input) and mutated protein (by FoldX)	2.33262 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                                                       (00:01:14)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:22)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:32)

• Minimal score value: -3.4064
• Maximal score value: 1.7082
• Average score: -0.7865
• Total score value: -186.3918

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
32	S	A	-0.1832
33	M	A	0.6869
34	P	A	0.7722
35	L	A	0.0000
36	G	A	0.8407
37	V	A	0.0000
38	V	A	-0.1965
39	T	A	-1.1027
40	N	A	-1.7189
41	S	A	-0.9442
42	T	A	-0.1487
43	L	A	0.9032
44	E	A	-0.1648
45	V	A	1.1447
46	T	A	0.2928
47	E	A	-0.1542
48	I	A	0.8277
49	D	A	-1.2120
50	Q	A	-0.8992
51	L	A	0.7179
52	V	A	1.5660
53	C	A	0.3567
54	K	A	-1.6110
55	D	A	-1.6426
56	H	A	-1.6379
57	L	A	-0.1981
58	A	A	-0.3297
59	S	A	-0.4800
60	T	A	-0.5625
61	D	A	-1.6188
62	Q	A	0.0000
63	L	A	0.3200
64	K	A	-0.4719
65	S	A	-0.2672
66	V	A	-0.2410
67	G	A	0.0000
68	L	A	0.4973
69	N	A	0.0000
70	L	A	0.1322
71	E	A	-1.0990
72	G	A	-1.2990
73	S	A	-0.5958
74	G	A	-0.8091
75	V	A	-0.2420
76	S	A	-0.4468
77	T	A	-0.9374
78	D	A	-0.5954
79	I	A	0.0000
80	P	A	-1.0241
81	S	A	-0.9328
82	A	A	0.0000
83	T	A	0.0000
84	K	A	-1.9765
85	R	A	-1.7991
86	W	A	0.0000
87	G	A	-1.1761
88	F	A	-1.3257
89	R	A	-2.3118
90	S	A	-1.7404
91	G	A	-1.0665
92	V	A	-0.7009
93	P	A	-0.9053
94	P	A	-0.6604
95	K	A	-0.5739
96	V	A	0.9733
97	V	A	1.1558
98	S	A	-0.2030
99	Y	A	0.0000
100	E	A	-2.3194
101	A	A	-1.5721
102	G	A	-1.4096
103	E	A	-1.4387
104	W	A	-0.9945
105	A	A	0.0000
106	E	A	-2.3687
107	N	A	0.0000
108	C	A	0.0000
109	Y	A	0.0000
110	N	A	-1.1614
111	L	A	0.0000
112	E	A	-2.8350
113	I	A	0.0000
114	K	A	-2.6430
115	K	A	-2.1546
116	P	A	-1.8523
117	D	A	-2.6036
118	G	A	-1.9780
119	S	A	-1.8302
120	E	A	-2.2686
121	C	A	-1.5319
122	L	A	0.0000
123	P	A	-0.8439
124	P	A	-1.0149
125	P	A	-1.3072
126	P	A	-1.5332
127	D	A	-2.3702
128	G	A	-1.9165
129	V	A	0.0000
130	R	A	-2.6834
131	G	A	-1.7238
132	F	A	0.0000
133	P	A	-1.5728
134	R	A	-1.6974
135	C	A	0.0000
136	R	A	-1.2137
137	Y	A	-0.7723
138	V	A	0.0000
139	H	A	0.0000
140	K	A	-1.6149
141	A	A	0.0000
142	Q	A	-2.7539
143	G	A	0.0000
144	T	A	-2.1238
145	G	A	0.0000
146	P	A	-1.1433
147	C	A	0.0000
148	P	A	-1.1369
149	G	A	-1.8969
150	D	A	-2.2405
151	Y	A	-1.0474
152	A	A	0.0000
153	F	A	-0.9141
154	H	A	0.0000
155	K	A	-2.8837
156	D	A	-2.7981
157	G	A	-1.6927
158	A	A	-0.5814
159	F	A	0.3676
160	F	A	0.0000
161	L	A	0.0000
162	Y	A	0.0000
163	D	A	-2.2434
164	R	A	-2.5525
165	L	A	-0.7323
166	A	A	0.0000
167	S	A	0.0000
168	T	A	0.1678
169	V	A	0.0000
170	I	A	0.0000
171	Y	A	0.0000
172	R	A	-1.3737
173	G	A	-1.5229
174	V	A	0.0000
175	N	A	-1.0606
176	F	A	0.0000
177	A	A	0.0000
178	E	A	0.0000
179	G	A	0.0000
180	V	A	1.1712
181	I	A	1.0555
182	A	A	0.9520
183	F	A	1.3527
184	L	A	1.0157
185	I	A	0.0000
186	L	A	-0.9705
187	A	A	-1.5684
188	K	A	-2.6632
189	P	A	-2.6342
190	K	A	-3.4064
191	E	A	-3.0904
192	T	A	-1.6965
212	Y	A	1.7082
213	Y	A	1.6571
214	A	A	0.5835
215	T	A	-0.2120
216	S	A	0.4415
217	Y	A	0.8043
218	L	A	0.0000
219	E	A	-1.2010
220	Y	A	0.0000
221	E	A	-2.3002
222	I	A	0.0000
223	E	A	-2.6454
224	N	A	-2.0333
225	F	A	-1.4274
226	G	A	-1.2149
227	A	A	-1.5611
228	Q	A	-2.1101
229	H	A	-2.0915
230	S	A	-1.9626
231	T	A	-1.8604
232	T	A	0.0000
233	L	A	-1.2070
234	F	A	0.0000
235	K	A	-1.0211
236	I	A	-0.6575
237	D	A	-1.2616
238	N	A	-1.7033
239	N	A	-1.5215
240	T	A	0.0000
241	F	A	-0.3034
242	V	A	0.0000
243	R	A	-1.8784
244	L	A	-1.8877
245	D	A	-2.7082
246	R	A	-2.5306
247	P	A	-1.6114
248	H	A	-1.3702
249	T	A	-0.7883
250	P	A	0.0000
251	Q	A	-0.4850
252	F	A	0.0775
253	L	A	0.0000
254	F	A	-0.0110
255	Q	A	-1.2483
256	L	A	-0.7775
257	N	A	-1.1337
258	D	A	-1.9667
259	T	A	-1.1711
260	I	A	-1.1218
261	H	A	-1.0467
262	L	A	0.0509
263	H	A	-1.2508
264	Q	A	-1.4850
265	Q	A	-1.0185
266	L	A	-1.0151
267	S	A	-1.4531
268	N	A	-1.9203
269	T	A	-1.1122
270	T	A	-0.8400
271	G	A	-0.8494
272	R	A	-0.9028
273	L	A	0.2926
274	I	A	0.5874
275	A	A	0.1168	mutated: YA275A
276	T	A	0.0041
277	L	A	0.0383
278	D	A	-1.1541
279	A	A	-1.0502
280	N	A	-1.3917
281	I	A	-1.2940
282	N	A	-1.6087
283	A	A	-1.3703
284	D	A	-1.3572
285	I	A	0.3394
286	G	A	-1.0082
287	E	A	-2.0902