Project name: 1c89c2af35a4cf8 [mutate: AA167A, VA185A] [mutate: NQ236A, DQ194A, LG165A]

Chain sequence(s)	A: GSVIQYSDYELDESSPFAGGAAWIEGEYVPAAEARISLFDTGFGHSDLTYTVAHVWHGNIFRLKDHIDRVFDGAQKLRLQSPLTKAEVEDITKRCVSLSQLRESFVNITITRGYGARKGEKDLSKLTSQIYIYAIPYLWAFPPEEQIFGTSAIVPRHVRRAGRNTVDPTVKNYQWGDLTAASFEAKDRGARTAILLDADNCVAEGPGFNVVMVKDGKLSSPSRNALPGITRLTVMEMADEMGIEFTLRDITSRELYEADELIAVTTAGGITPITSLDGEPLGDGTPGPVTVAIRDRFWAMMDEPSSLVEAIEY
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	LG165A,NQ236A,DQ194A
Energy difference between WT (input) and mutated protein (by FoldX)	5.07414 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                                                       (00:05:54)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:05:58)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:09:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:20)
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:04)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:04)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:04)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:04)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:04)
[INFO]       FoldX:    Building mutant model                                                       (00:06:10)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:07:12)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:10:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:41)

• Minimal score value: -2.1854
• Maximal score value: 2.2239
• Average score: -0.29
• Total score value: -90.7633

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
28	G	A	-0.4902
29	S	A	-0.0991
30	V	A	0.6564
31	I	A	0.1268
32	Q	A	-0.7593
33	Y	A	0.9668
34	S	A	-0.1520
35	D	A	-1.6761
36	Y	A	-0.0078
37	E	A	-1.6391
38	L	A	-0.3307
39	D	A	-2.0637
40	E	A	-2.1854
41	S	A	-0.5511
42	S	A	-0.1767
43	P	A	-0.1986
44	F	A	0.3513
45	A	A	0.0549
46	G	A	-0.1372
47	G	A	0.0000
48	A	A	0.0000
49	A	A	0.0000
50	W	A	0.2018
51	I	A	0.1671
52	E	A	-0.4514
53	G	A	-0.8717
54	E	A	-1.8628
55	Y	A	-0.0404
56	V	A	0.2978
57	P	A	0.0688
58	A	A	0.0297
59	A	A	-0.2671
60	E	A	-1.8055
61	A	A	-0.6453
62	R	A	-1.6475
63	I	A	0.7228
64	S	A	0.4247
65	L	A	1.8929
66	F	A	2.2239
67	D	A	0.0000
68	T	A	-0.0796
69	G	A	0.0000
70	F	A	1.8571
71	G	A	-0.3000
72	H	A	-1.0835
73	S	A	-0.2774
74	D	A	-0.3110
75	L	A	0.0000
76	T	A	0.0000
77	Y	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	A	A	0.0000
81	H	A	0.0000
82	V	A	0.0000
83	W	A	0.0000
84	H	A	-0.2595
85	G	A	0.0000
86	N	A	-0.1749
87	I	A	0.0000
88	F	A	0.0000
89	R	A	0.0000
90	L	A	0.0000
91	K	A	-1.4424
92	D	A	-1.0438
93	H	A	0.0000
94	I	A	0.0000
95	D	A	-1.2971
96	R	A	-0.4567
97	V	A	0.0000
98	F	A	0.0833
99	D	A	-1.7242
100	G	A	-0.3680
101	A	A	0.0000
102	Q	A	-1.5538
103	K	A	-1.0848
104	L	A	-0.1849
105	R	A	-1.9088
106	L	A	0.0000
107	Q	A	-1.2107
108	S	A	-0.3008
109	P	A	-0.0394
110	L	A	0.2588
111	T	A	-0.1481
112	K	A	-0.7071
113	A	A	-0.2758
114	E	A	-1.1221
115	V	A	0.0000
116	E	A	-0.5141
117	D	A	-1.8239
118	I	A	0.0000
119	T	A	0.0000
120	K	A	-0.6130
121	R	A	-1.4738
122	C	A	0.0000
123	V	A	0.0000
124	S	A	0.0237
125	L	A	0.3729
126	S	A	0.0000
127	Q	A	-0.4033
128	L	A	0.0000
129	R	A	-0.6573
130	E	A	0.0000
131	S	A	0.0000
132	F	A	0.2959
133	V	A	0.0000
134	N	A	0.0000
135	I	A	0.0000
136	T	A	0.0000
137	I	A	0.0000
138	T	A	0.0000
139	R	A	-0.5985
140	G	A	0.0000
141	Y	A	0.2027
142	G	A	-0.1889
143	A	A	-0.0781
144	R	A	-0.7981
145	K	A	-1.8741
146	G	A	-0.8245
147	E	A	-0.6984
148	K	A	-2.0803
149	D	A	-1.8014
150	L	A	1.1873
151	S	A	-0.2488
152	K	A	-1.6086
153	L	A	0.3956
154	T	A	0.1077
155	S	A	0.0000
156	Q	A	0.0000
157	I	A	0.0000
158	Y	A	0.1274
159	I	A	0.0000
160	Y	A	0.3907
161	A	A	0.0000
162	I	A	0.5976
163	P	A	-0.1253
164	Y	A	0.0000
165	G	A	-0.1079	mutated: LG165A
166	W	A	0.2034
167	A	A	0.0545
168	F	A	0.0000
169	P	A	-0.1328
170	P	A	-0.4163
171	E	A	-1.8911
172	E	A	-0.4608
173	Q	A	0.0000
174	I	A	0.7178
175	F	A	1.9599
176	G	A	0.2479
177	T	A	0.0000
178	S	A	-0.1051
179	A	A	0.0000
180	I	A	0.0000
181	V	A	0.0000
182	P	A	0.0000
183	R	A	-2.0238
184	H	A	-1.2753
185	V	A	-0.0839
186	R	A	-0.9269
187	R	A	0.0000
188	A	A	-0.0149
189	G	A	-0.4908
190	R	A	-2.1350
191	N	A	-1.6222
192	T	A	-0.2270
193	V	A	0.3754
194	Q	A	-0.4099	mutated: DQ194A
195	P	A	0.0000
196	T	A	-0.0286
197	V	A	0.0000
198	K	A	-0.3251
199	N	A	-0.0558
200	Y	A	0.5671
201	Q	A	-0.3705
202	W	A	0.1686
203	G	A	-0.4450
204	D	A	-0.3171
205	L	A	0.0000
206	T	A	-0.0281
207	A	A	0.0144
208	A	A	0.0000
209	S	A	0.3094
210	F	A	1.9330
211	E	A	0.0000
212	A	A	0.0000
213	K	A	-2.0266
214	D	A	-2.1851
215	R	A	-0.8848
216	G	A	-0.5518
217	A	A	-0.3334
218	R	A	-1.3980
219	T	A	0.0000
220	A	A	0.0000
221	I	A	0.0000
222	L	A	0.0000
223	L	A	0.1555
224	D	A	0.0000
225	A	A	-0.2637
226	D	A	-2.0036
227	N	A	-1.5739
228	C	A	-0.1532
229	V	A	0.0000
230	A	A	0.0000
231	E	A	0.0000
232	G	A	0.0000
233	P	A	-0.0746
234	G	A	-0.2221
235	F	A	0.0000
236	Q	A	0.0000	mutated: NQ236A
237	V	A	0.0000
238	V	A	0.0000
239	M	A	0.0000
240	V	A	0.0000
241	K	A	-1.1706
242	D	A	-1.9844
243	G	A	-0.7188
244	K	A	-1.1396
245	L	A	0.0000
246	S	A	0.0000
247	S	A	0.0000
248	P	A	0.0000
249	S	A	-0.3614
250	R	A	-0.4370
251	N	A	-0.1998
252	A	A	0.0000
253	L	A	0.0000
254	P	A	-0.1079
255	G	A	0.0000
256	I	A	0.0000
257	T	A	0.0000
258	R	A	0.0000
259	L	A	0.5049
260	T	A	0.0000
261	V	A	0.0000
262	M	A	0.0000
263	E	A	-1.4246
264	M	A	0.0000
265	A	A	0.0000
266	D	A	-2.1314
267	E	A	-2.0689
268	M	A	-0.0352
269	G	A	-0.5334
270	I	A	-0.3307
271	E	A	-1.6529
272	F	A	0.9074
273	T	A	0.3401
274	L	A	0.5732
275	R	A	-0.8938
276	D	A	-1.2539
277	I	A	0.0000
278	T	A	-0.0598
279	S	A	-0.4851
280	R	A	-1.9511
281	E	A	-0.7839
282	L	A	0.0000
283	Y	A	0.9969
284	E	A	-1.5057
285	A	A	0.0000
286	D	A	-1.1532
287	E	A	0.0000
288	L	A	0.0000
289	I	A	0.0000
290	A	A	0.0000
291	V	A	0.0000
292	T	A	-0.0085
293	T	A	-0.0081
294	A	A	0.0318
295	G	A	0.0000
296	G	A	0.0000
297	I	A	0.0000
298	T	A	0.0000
299	P	A	0.0000
300	I	A	0.0000
301	T	A	-0.0305
302	S	A	-0.0957
303	L	A	0.0000
304	D	A	-1.3654
305	G	A	-0.9349
306	E	A	-1.4473
307	P	A	-0.5124
308	L	A	0.0000
309	G	A	-0.9290
310	D	A	-1.9003
311	G	A	-0.5054
312	T	A	-0.1076
313	P	A	-0.0856
314	G	A	-0.1218
315	P	A	-0.2155
316	V	A	0.2338
317	T	A	0.0000
318	V	A	0.5700
319	A	A	0.1387
320	I	A	0.0000
321	R	A	0.0000
322	D	A	-0.6998
323	R	A	-0.5706
324	F	A	0.0000
325	W	A	0.0000
326	A	A	0.0476
327	M	A	0.1126
328	M	A	0.0000
329	D	A	-2.0303
330	E	A	-1.7106
331	P	A	-0.5222
332	S	A	-0.2508
333	S	A	-0.1936
334	L	A	0.2746
335	V	A	0.0576
336	E	A	-1.1525
337	A	A	-0.1881
338	I	A	0.0000
339	E	A	-1.6387
340	Y	A	0.6507