Project name: a1e9f153f6f43f8

Chain sequence(s)	A: QCIQPGTGYNNGYFYSYWNDGHGGVTYCNGPGGQFSVNWSNSGNFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSRNPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQQGLTLGTMDYQIVAVEGYFSSGSASITVS
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                                          (00:02:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:18)

• Minimal score value: -2.4909
• Maximal score value: 1.9557
• Average score: -0.4825
• Total score value: -91.6833

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	-0.7514
2	C	A	0.1858
3	I	A	-0.0689
4	Q	A	-0.8466
5	P	A	-0.7234
6	G	A	-0.4608
7	T	A	0.0206
8	G	A	0.4494
9	Y	A	0.8575
10	N	A	-0.4621
11	N	A	-1.3876
12	G	A	-0.7198
13	Y	A	-0.1576
14	F	A	0.0000
15	Y	A	0.2601
16	S	A	0.2286
17	Y	A	0.0000
18	W	A	-0.1334
19	N	A	-0.9091
20	D	A	-1.3863
21	G	A	-1.4934
22	H	A	-1.6752
23	G	A	-1.5581
24	G	A	-1.2024
25	V	A	-1.0740
26	T	A	-0.4658
27	Y	A	0.0000
28	C	A	-0.2071
29	N	A	0.0000
30	G	A	-0.8223
31	P	A	-1.0420
32	G	A	-1.0330
33	G	A	0.0000
34	Q	A	-0.8434
35	F	A	0.0000
36	S	A	-0.5307
37	V	A	0.0000
38	N	A	-1.5349
39	W	A	0.0000
40	S	A	-1.1939
41	N	A	-1.1651
42	S	A	0.0000
43	G	A	0.0000
44	N	A	-0.0209
45	F	A	0.0000
46	V	A	0.1956
47	G	A	0.0000
48	G	A	0.0000
49	K	A	0.0000
50	G	A	0.0000
51	W	A	0.0329
52	Q	A	-0.2876
53	P	A	-0.4562
54	G	A	0.0000
55	T	A	-1.0239
56	K	A	-1.8653
57	N	A	-2.0274
58	K	A	-1.0675
59	V	A	0.0063
60	I	A	0.0000
61	N	A	-1.0199
62	F	A	0.0000
63	S	A	-0.7740
64	G	A	-0.5909
65	S	A	-0.7291
66	Y	A	-0.9331
67	N	A	-1.8032
68	P	A	-1.6083
69	N	A	-1.7355
70	G	A	-0.6214
71	N	A	0.0991
72	S	A	0.0000
73	Y	A	0.0000
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	S	A	0.0000
81	R	A	-0.9672
82	N	A	-1.6315
83	P	A	-0.9965
84	L	A	-0.1795
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	-1.0651
93	F	A	-0.4252
94	G	A	-0.7061
95	T	A	-0.2987
96	Y	A	0.2696
97	N	A	-0.3348
98	P	A	0.0000
99	S	A	0.0000
100	T	A	-0.5333
101	G	A	-0.8607
102	A	A	-0.9332
103	T	A	-1.1589
104	K	A	-1.9988
105	L	A	-1.0589
106	G	A	-1.4142
107	E	A	-1.8746
108	V	A	-0.8855
109	T	A	-0.4744
110	S	A	0.0000
111	D	A	-0.9379
112	G	A	-0.8932
113	S	A	0.0000
114	V	A	-0.8046
115	Y	A	0.0000
116	D	A	0.0000
117	I	A	0.0000
118	Y	A	0.0000
119	R	A	-1.1184
120	T	A	-0.8257
121	Q	A	-0.7854
122	R	A	-0.7358
123	V	A	0.3823
124	N	A	-1.1185
125	Q	A	-1.2037
126	P	A	-0.4308
127	S	A	0.2192
128	I	A	1.2094
129	I	A	1.9557
130	G	A	0.4051
131	T	A	-0.2716
132	A	A	-0.0902
133	T	A	-0.2894
134	F	A	0.0000
135	Y	A	-0.0181
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	-2.4016
143	N	A	-2.4909
144	H	A	-1.9576
145	R	A	-1.2883
146	S	A	-0.7190
147	S	A	-0.7475
148	G	A	-0.7970
149	S	A	-0.6196
150	V	A	0.0000
151	N	A	-0.7999
152	T	A	0.0000
153	A	A	-1.4631
154	N	A	-1.3438
155	H	A	0.0000
156	F	A	0.0000
157	N	A	-2.1001
158	A	A	-1.6307
159	W	A	0.0000
160	A	A	-1.3396
161	Q	A	-1.9417
162	Q	A	-1.6856
163	G	A	-1.1780
164	L	A	0.0000
165	T	A	-0.6883
166	L	A	-0.5370
167	G	A	-0.8210
168	T	A	-0.7244
169	M	A	-0.5761
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	0.0628
178	G	A	0.0000
179	Y	A	1.3463
180	F	A	1.5230
181	S	A	0.0000
182	S	A	-1.0662
183	G	A	-1.5888
184	S	A	-1.3091
185	A	A	0.0000
186	S	A	-0.6781
187	I	A	0.0000
188	T	A	-0.6886
189	V	A	0.0000
190	S	A	-0.4781