Project name: MUT6

Chain sequence(s)	A: QCIQPGTGYNNGYFYSYWNDGHGGVTYCNGPGGQFSVNWSNSGNFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWTRNPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYQTQRVNQPSIIGTATFYQYWSVRRNHRSSGTVNTANHFNAWAALGLTLGTMDYQIVAVEGYFSSGSADITVS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
pH calculations	No
alphaCutter usage	No
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:02)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:02:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:36)

• Minimal score value: -2.5947
• Maximal score value: 1.9146
• Average score: -0.4485
• Total score value: -85.2237

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	Q	A	-0.7336
2	C	A	0.2120
3	I	A	-0.0205
4	Q	A	-0.8284
5	P	A	-0.6957
6	G	A	-0.4644
7	T	A	0.0127
8	G	A	0.4435
9	Y	A	0.8460
10	N	A	-0.4848
11	N	A	-1.4143
12	G	A	-0.7539
13	Y	A	-0.1903
14	F	A	0.0000
15	Y	A	0.2520
16	S	A	0.2178
17	Y	A	0.0000
18	W	A	-0.1797
19	N	A	-0.9311
20	D	A	-1.4507
21	G	A	-1.5513
22	H	A	-1.7789
23	G	A	-1.6029
24	G	A	-1.2067
25	V	A	-1.0772
26	T	A	-0.4218
27	Y	A	0.0000
28	C	A	-0.2463
29	N	A	0.0000
30	G	A	-0.8629
31	P	A	-1.0421
32	G	A	-1.0848
33	G	A	0.0000
34	Q	A	-0.9100
35	F	A	0.0000
36	S	A	-0.7922
37	V	A	0.0000
38	N	A	-1.5390
39	W	A	0.0000
40	S	A	-1.1733
41	N	A	-1.1550
42	S	A	0.0000
43	G	A	0.0000
44	N	A	0.0083
45	F	A	0.0000
46	V	A	0.2927
47	G	A	0.0000
48	G	A	0.0000
49	K	A	0.0000
50	G	A	0.0000
51	W	A	0.0323
52	Q	A	-0.2558
53	P	A	-0.4472
54	G	A	-0.7054
55	T	A	-1.0707
56	K	A	-1.9095
57	N	A	-2.0872
58	K	A	-1.1505
59	V	A	-0.1640
60	I	A	0.0000
61	N	A	-0.7929
62	F	A	0.0000
63	S	A	-0.7444
64	G	A	-0.7600
65	S	A	-0.9486
66	Y	A	-1.0652
67	N	A	-1.8446
68	P	A	-1.5532
69	N	A	-1.7443
70	G	A	-0.5830
71	N	A	0.1864
72	S	A	0.0000
73	Y	A	0.1665
74	L	A	0.0000
75	S	A	0.0000
76	V	A	0.0000
77	Y	A	0.0000
78	G	A	0.0000
79	W	A	0.0000
80	T	A	0.0000
81	R	A	-1.3273
82	N	A	-1.8094
83	P	A	-1.0805
84	L	A	-0.2507
85	I	A	0.0000
86	E	A	0.0000
87	Y	A	0.0000
88	Y	A	0.0000
89	I	A	0.0000
90	V	A	0.0000
91	E	A	0.0000
92	N	A	-0.8805
93	F	A	-0.2952
94	G	A	-0.6425
95	T	A	-0.2539
96	Y	A	0.3774
97	N	A	-0.2639
98	P	A	-0.1507
99	S	A	0.0000
100	T	A	-0.5245
101	G	A	-0.8161
102	A	A	-0.8005
103	T	A	-1.0019
104	K	A	-1.8999
105	L	A	-0.6430
106	G	A	-1.0288
107	E	A	-1.7932
108	V	A	-0.9273
109	T	A	-0.4946
110	S	A	0.0000
111	D	A	-0.8784
112	G	A	-0.8631
113	S	A	0.0000
114	V	A	-0.8875
115	Y	A	0.0000
116	D	A	-1.3849
117	I	A	0.0000
118	Y	A	0.0000
119	Q	A	-0.5275
120	T	A	-0.4756
121	Q	A	-0.4649
122	R	A	-0.5308
123	V	A	0.4693
124	N	A	-1.1267
125	Q	A	-1.2449
126	P	A	-0.5455
127	S	A	0.2178
128	I	A	1.1756
129	I	A	1.9146
130	G	A	0.3899
131	T	A	-0.2871
132	A	A	-0.1281
133	T	A	-0.1920
134	F	A	0.0000
135	Y	A	0.4971
136	Q	A	0.0000
137	Y	A	0.0000
138	W	A	0.0000
139	S	A	0.0000
140	V	A	0.0000
141	R	A	0.0000
142	R	A	-2.5947
143	N	A	-2.5463
144	H	A	-1.9410
145	R	A	-1.2625
146	S	A	-0.7597
147	S	A	-0.6511
148	G	A	-0.6660
149	T	A	-0.5103
150	V	A	0.0000
151	N	A	-0.8428
152	T	A	0.0000
153	A	A	-1.5034
154	N	A	-1.3647
155	H	A	0.0000
156	F	A	0.0000
157	N	A	-1.6023
158	A	A	-0.8803
159	W	A	0.0000
160	A	A	-0.2936
161	A	A	-0.0712
162	L	A	0.2656
163	G	A	-0.1556
164	L	A	0.0000
165	T	A	-0.3104
166	L	A	-0.5738
167	G	A	-0.9368
168	T	A	-0.8570
169	M	A	-0.6678
170	D	A	0.0000
171	Y	A	0.0000
172	Q	A	0.0000
173	I	A	0.0000
174	V	A	0.0000
175	A	A	0.0000
176	V	A	0.0000
177	E	A	0.0000
178	G	A	0.0000
179	Y	A	1.5741
180	F	A	1.5855
181	S	A	0.0000
182	S	A	-1.0283
183	G	A	-1.5673
184	S	A	-1.4195
185	A	A	0.0000
186	D	A	-1.3480
187	I	A	0.0000
188	T	A	-0.7501
189	V	A	0.0000
190	S	A	-0.4166