Project name: C168F_C129G [mutate: CF129A]

Chain sequence(s)	A: APPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCT
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
pH calculations	No
alphaCutter usage	No
Dynamic mode	No
Automated mutations	No
Mutated residues	CF129A
Energy difference between WT (input) and mutated protein (by FoldX)	8.46053 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 minimization                                          (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:01:15)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:01:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:20)

• Minimal score value: -2.9604
• Maximal score value: 1.5124
• Average score: -1.0007
• Total score value: -233.1681

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	A	A	-0.0060
2	P	A	-0.7317
3	P	A	-0.9516
4	C	A	-0.4377
5	L	A	0.5135
6	D	A	-1.3322
7	G	A	-0.9631
8	S	A	-1.1140
9	P	A	-1.1609
10	C	A	-1.6164
11	A	A	-1.5664
12	N	A	-1.7291
13	G	A	-1.3319
14	G	A	-1.4033
15	R	A	-1.6676
16	C	A	-0.6514
17	T	A	-0.7601
18	Q	A	-1.4974
19	L	A	-1.0446
20	P	A	-1.1604
21	S	A	-1.6945
22	R	A	-2.9357
23	E	A	-2.8411
24	A	A	-1.7072
25	A	A	-1.2214
26	C	A	-0.7471
27	L	A	0.4456
28	C	A	-0.2951
29	P	A	-0.2144
30	P	A	-0.5540
31	G	A	-1.0169
32	W	A	-0.9736
33	V	A	-1.0084
34	G	A	-1.2701
35	E	A	-2.4264
36	R	A	-2.8039
37	C	A	0.0000
38	Q	A	-2.0029
39	L	A	-1.6142
40	E	A	-2.3355
41	D	A	-1.6186
42	P	A	-1.3286
43	C	A	-0.9019
44	H	A	-1.6230
45	S	A	-1.1375
46	G	A	-0.9071
47	P	A	-0.5051
48	C	A	-0.6589
49	A	A	-0.4757
50	G	A	-0.8893
51	R	A	-1.6217
52	G	A	-0.9586
53	V	A	0.4924
54	C	A	-0.0683
55	Q	A	-0.5026
56	S	A	-0.6224
57	S	A	-0.0557
58	V	A	0.6957
59	V	A	1.5124
60	A	A	0.6337
61	G	A	-0.2099
62	T	A	-0.0849
63	A	A	-0.5587
64	R	A	-1.3140
65	F	A	-0.3813
66	S	A	-0.6148
67	C	A	-0.7628
68	R	A	-1.7120
69	C	A	-1.0273
70	P	A	-1.2336
71	R	A	-1.8335
72	G	A	-0.5259
73	F	A	-0.3442
74	R	A	-0.7098
75	G	A	-0.5518
76	P	A	-0.7794
77	D	A	-0.6762
78	C	A	0.0000
79	S	A	-0.2505
80	L	A	0.4056
81	P	A	-0.2893
82	D	A	-0.5519
83	P	A	-0.1672
84	C	A	0.0196
85	L	A	0.3241
86	S	A	0.0597
87	S	A	-0.2280
88	P	A	-0.4442
89	C	A	-1.1453
90	A	A	-1.6136
91	H	A	-1.6148
92	G	A	-1.2819
93	A	A	-1.4185
94	R	A	-1.8427
95	C	A	-0.2732
96	S	A	-0.1372
97	V	A	0.1186
98	G	A	0.0000
99	P	A	-1.0482
100	D	A	-1.9504
101	G	A	-1.4116
102	R	A	-1.9397
103	F	A	-0.6218
104	L	A	0.0129
105	C	A	-0.7325
106	S	A	-0.9174
107	C	A	-1.2616
108	P	A	-0.7983
109	P	A	-0.6764
110	G	A	-1.0716
111	Y	A	-1.7755
112	Q	A	-2.4501
113	G	A	-2.4836
114	R	A	-2.4222
115	S	A	-1.9226
116	C	A	0.0000
117	R	A	-2.9604
118	S	A	-2.4673
119	D	A	-2.2461
120	V	A	-1.5856
121	D	A	-1.7265
122	E	A	-1.7043
123	C	A	0.0000
124	R	A	-1.9311
125	V	A	0.0527
126	G	A	-0.9844
127	E	A	-2.2055
128	P	A	-1.5067
129	F	A	-1.5762	mutated: CF129A
130	R	A	-2.5369
131	H	A	-1.8605
132	G	A	-1.5607
133	G	A	0.0000
134	T	A	-1.1827
135	C	A	-1.4602
136	L	A	-0.8210
137	N	A	-1.5878
138	T	A	-1.0311
139	P	A	-0.8505
140	G	A	-1.2703
141	S	A	-1.0281
142	F	A	-1.0111
143	R	A	-1.9105
144	C	A	-1.3777
145	Q	A	-1.5159
146	C	A	-1.0434
147	P	A	-0.5667
148	A	A	0.0182
149	G	A	0.1472
150	Y	A	-0.2660
151	T	A	-0.5517
152	G	A	-0.7900
153	P	A	-0.9251
154	L	A	-1.0725
155	C	A	0.0000
156	E	A	-1.4293
157	N	A	-1.2722
158	P	A	-0.3874
159	A	A	0.4958
160	V	A	1.3428
161	P	A	-0.0872
162	C	A	-0.2351
163	A	A	0.3705
164	P	A	0.0709
165	S	A	-0.5132
166	P	A	-1.0541
167	C	A	0.0000
168	R	A	-2.9029
169	N	A	-2.1681
170	G	A	-1.2391
171	G	A	-1.5495
172	T	A	-1.0846
173	C	A	0.0000
174	R	A	-2.9456
175	Q	A	-2.4298
176	S	A	-1.8838
177	G	A	-1.4082
178	D	A	-1.3739
179	L	A	0.2563
180	T	A	-0.7667
181	Y	A	-1.7090
182	D	A	-2.7889
183	C	A	-2.1273
184	A	A	-0.8904
185	C	A	-0.8368
186	L	A	0.1545
187	P	A	-0.0353
188	G	A	-0.3915
189	F	A	-1.0964
190	E	A	-2.1383
191	G	A	-1.9089
192	Q	A	-2.3569
193	N	A	-2.3592
194	C	A	0.0000
195	E	A	-2.1306
196	V	A	-0.9475
197	N	A	-0.9131
198	V	A	-0.9283
199	D	A	-1.7385
200	D	A	-1.6120
201	C	A	-1.5709
202	P	A	-1.3022
203	G	A	-1.2578
204	H	A	-1.6177
205	R	A	-2.1249
206	C	A	-1.1259
207	L	A	0.0646
208	N	A	-0.8118
209	G	A	-0.5889
210	G	A	-0.8751
211	T	A	-0.7827
212	C	A	-0.7960
213	V	A	-0.6714
214	D	A	-1.3010
215	G	A	-0.4596
216	V	A	0.6986
217	N	A	-0.7178
218	T	A	-0.7119
219	Y	A	-1.3719
220	N	A	-1.9138
221	C	A	0.0000
222	Q	A	-1.4594
223	C	A	-1.1196
224	P	A	-0.9660
225	P	A	-1.1367
226	E	A	-1.8430
227	W	A	-0.9308
228	T	A	-0.9365
229	G	A	-1.0170
230	Q	A	-1.7416
231	F	A	-1.1428
232	C	A	0.0000
233	T	A	-0.3001