Project name: 8e550b83b008968 [mutate: IA1A] [mutate: YF4A] [mutate: FW4A] [mutate: YF67A] [mutate: FH67A] [mutate: YF123A] [mutate: FL123A] [mutate: LW123A] [mutate: WA123A] [mutate: VA150A, IA148A, GA151A] [mutate: HY67A] [mutate: YF67A]

Chain sequence(s)	A: APEWVDWRQKGAVTPVKNQGSCGSCWAFSAVVTIEGIIKIRTGNLNQYSEQELLDCDRRSYGCNGGYPWSALQLVAQYGIHYRNTYPYEGVQRYCRSREKGPYAAKTDGVRQVQPYNQGALLASIANQPVSVVLQAAGKDFQLYRGGAFAAPCGNKVDHAVAAVGYGPNYILIKNSWGTGWGENGYIRIKRGTGNSYGVCGLYTSSFYPVKN
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	YF67A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.0493305 kcal/mol

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                                                       (00:00:46)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:49)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:39)

• Minimal score value: -3.5602
• Maximal score value: 0.8475
• Average score: -0.763
• Total score value: -161.7466

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	A	A	-0.4355
2	P	A	-0.8068
3	E	A	-1.5171
4	W	A	-0.1361
5	V	A	0.0000
6	D	A	-1.7112
7	W	A	-1.7953
8	R	A	-2.4984
9	Q	A	-2.7807
10	K	A	-2.8517
11	G	A	-1.8086
12	A	A	0.0000
13	V	A	-0.7804
14	T	A	0.0000
15	P	A	-0.3435
16	V	A	-0.4343
17	K	A	-0.8435
18	N	A	-1.5610
19	Q	A	-1.1706
20	G	A	-1.1991
21	S	A	-0.6802
22	C	A	0.0000
23	G	A	-0.7430
24	S	A	0.0000
25	C	A	-0.3767
26	W	A	0.0000
27	A	A	0.0000
28	F	A	0.0000
29	S	A	0.0000
30	A	A	0.0000
31	V	A	0.0000
32	V	A	0.0000
33	T	A	0.0000
34	I	A	0.0000
35	E	A	0.0000
36	G	A	0.0000
37	I	A	0.0000
38	I	A	0.0000
39	K	A	-1.3221
40	I	A	-1.2565
41	R	A	-2.3501
42	T	A	-1.6542
43	G	A	-1.5596
44	N	A	-1.6160
45	L	A	-0.3495
46	N	A	-0.4706
47	Q	A	-0.6781
48	Y	A	0.0000
49	S	A	0.0000
50	E	A	0.0000
51	Q	A	0.0000
52	E	A	0.0000
53	L	A	0.0000
54	L	A	0.0000
55	D	A	0.0000
56	C	A	0.0000
57	D	A	0.0000
58	R	A	-2.3448
59	R	A	-2.3298
60	S	A	0.0000
61	Y	A	-0.0643
62	G	A	0.0000
63	C	A	-0.6460
64	N	A	-1.0753
65	G	A	-0.5879
66	G	A	-0.2188
67	F	A	0.8475	mutated: YF67A
68	P	A	0.0000
69	W	A	0.2433
70	S	A	0.0000
71	A	A	0.0000
72	L	A	0.0000
73	Q	A	-0.9968
74	L	A	0.0000
75	V	A	0.0000
76	A	A	-1.5077
77	Q	A	-1.5006
78	Y	A	-0.4921
79	G	A	0.0000
80	I	A	0.0000
81	H	A	0.0000
82	Y	A	-0.1603
83	R	A	-0.9135
84	N	A	-1.3934
85	T	A	-0.8721
86	Y	A	0.0000
87	P	A	-1.1775
88	Y	A	-1.3148
89	E	A	-1.9862
90	G	A	-1.2834
91	V	A	-0.7780
92	Q	A	-1.4104
93	R	A	-1.6028
94	Y	A	-0.0181
95	C	A	-1.0683
96	R	A	-2.3020
97	S	A	0.0000
98	R	A	-3.2376
99	E	A	-3.5602
100	K	A	-2.7765
101	G	A	-1.9835
102	P	A	-0.9285
103	Y	A	-0.2180
104	A	A	-0.0062
105	A	A	0.0000
106	K	A	-1.6049
107	T	A	0.0000
108	D	A	-2.4949
109	G	A	-1.7020
110	V	A	-1.2021
111	R	A	-2.2177
112	Q	A	-2.1494
113	V	A	-1.4976
114	Q	A	-1.8027
115	P	A	-0.7459
116	Y	A	-0.2172
117	N	A	-1.1866
118	Q	A	-1.0718
119	G	A	-0.9097
120	A	A	-0.6903
121	L	A	0.0000
122	L	A	-0.3124
123	A	A	-0.3271
124	S	A	0.0000
125	I	A	0.0000
126	A	A	-0.5867
127	N	A	-1.2206
128	Q	A	-0.5965
129	P	A	0.0000
130	V	A	0.0000
131	S	A	0.0000
132	V	A	0.0000
133	V	A	0.0000
134	L	A	0.0000
135	Q	A	-1.2706
136	A	A	0.0000
137	A	A	-1.1780
138	G	A	-1.7343
139	K	A	-2.3974
140	D	A	-2.2340
141	F	A	0.0000
142	Q	A	-1.6913
143	L	A	-0.8151
144	Y	A	0.0000
145	R	A	-2.8794
146	G	A	-2.3288
147	G	A	-1.4484
148	A	A	-0.7869
149	F	A	0.0000
150	A	A	-0.4279
151	A	A	-0.5582
152	P	A	-0.6048
153	C	A	-0.9282
154	G	A	-1.0882
155	N	A	-1.9996
156	K	A	-2.4422
157	V	A	-1.3780
158	D	A	-1.5792
159	H	A	0.0000
160	A	A	0.0000
161	V	A	0.0000
162	A	A	0.0000
163	A	A	0.0000
164	V	A	0.0000
165	G	A	0.0000
166	Y	A	0.0000
167	G	A	0.0000
168	P	A	-1.1890
169	N	A	-1.8526
170	Y	A	-1.0819
171	I	A	0.0000
172	L	A	0.0000
173	I	A	0.0000
174	K	A	0.0000
175	N	A	0.0000
176	S	A	0.0000
177	W	A	-0.8438
178	G	A	-1.0691
179	T	A	-1.6296
180	G	A	-1.6263
181	W	A	0.0000
182	G	A	-2.5255
183	E	A	-3.3959
184	N	A	-2.6310
185	G	A	0.0000
186	Y	A	0.0000
187	I	A	0.0000
188	R	A	-1.4711
189	I	A	0.0000
190	K	A	-1.5772
191	R	A	-1.6090
192	G	A	-1.5070
193	T	A	-1.1864
194	G	A	-1.0878
195	N	A	-1.1675
196	S	A	-0.6013
197	Y	A	-0.0043
198	G	A	0.0000
199	V	A	-0.4570
200	C	A	0.0000
201	G	A	0.0000
202	L	A	0.0000
203	Y	A	0.0000
204	T	A	-0.2696
205	S	A	-0.2171
206	S	A	0.0000
207	F	A	0.0000
208	Y	A	0.0000
209	P	A	0.0000
210	V	A	-1.1183
211	K	A	-1.8283
212	N	A	-2.0984