Project name: 6a_mono

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

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)                                                   (00:00:02)
[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 minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:49)

• Minimal score value: -3.568
• Maximal score value: 2.3214
• Average score: -0.8061
• Total score value: -220.0616

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	M	A	1.6134
2	I	A	0.0000
3	K	A	-0.1694
4	S	A	0.0000
5	C	A	0.0000
6	A	A	0.0000
7	T	A	0.0000
8	I	A	0.0000
9	A	A	0.0000
10	L	A	-0.8003
11	A	A	0.0000
12	P	A	-1.5930
13	E	A	-2.0549
14	I	A	-1.3248
15	E	A	-2.2900
16	T	A	-1.0699
17	G	A	-0.6079
18	P	A	0.0023
19	W	A	0.0000
20	I	A	0.0000
21	Y	A	0.0000
22	W	A	-0.7712
23	E	A	-1.2267
24	R	A	-1.9597
25	P	A	0.0000
26	D	A	-1.3530
27	I	A	-0.3058
28	S	A	0.0000
29	I	A	0.0000
30	P	A	-0.9428
31	K	A	-1.1324
32	A	A	0.0000
33	A	A	-1.7140
34	K	A	-1.9135
35	L	A	-1.5353
36	G	A	-1.3873
37	F	A	0.0000
38	D	A	-1.5459
39	A	A	0.0000
40	V	A	0.0000
41	E	A	0.0000
42	L	A	0.0000
43	F	A	0.0000
44	T	A	0.0000
45	G	A	-0.5653
46	S	A	-0.8999
47	A	A	-1.3339
48	D	A	-1.9699
49	A	A	-0.7287
50	V	A	-1.0285
51	A	A	-1.4689
52	P	A	-2.3897
53	E	A	-3.3599
54	Q	A	-2.8336
55	L	A	0.0000
56	E	A	-3.5680
57	Q	A	-3.0509
58	L	A	-1.9315
59	C	A	-2.0076
60	A	A	-1.6058
61	A	A	-1.0608
62	N	A	-1.8484
63	K	A	-2.2267
64	I	A	0.0000
65	D	A	-1.5943
66	I	A	0.0000
67	A	A	0.0000
68	A	A	0.0000
69	V	A	0.0000
70	G	A	0.0000
71	T	A	0.0000
72	G	A	-0.1638
73	A	A	0.0000
74	G	A	0.0000
75	K	A	-0.8369
76	V	A	0.4264
77	L	A	-0.3218
78	K	A	-1.6099
79	G	A	-1.1135
80	W	A	-1.1593
81	T	A	-0.8538
82	L	A	0.0000
83	T	A	0.0000
84	S	A	-1.4033
85	P	A	-1.6651
86	D	A	-2.4539
87	K	A	-3.1869
88	H	A	-2.7095
89	V	A	-2.1403
90	R	A	-2.0917
91	Q	A	-2.4897
92	K	A	-2.0670
93	A	A	0.0000
94	V	A	-1.1169
95	A	A	-0.9028
96	F	A	-0.7944
97	I	A	0.0000
98	S	A	-1.1498
99	E	A	-2.0334
100	M	A	0.0000
101	I	A	0.0000
102	A	A	-1.5690
103	F	A	0.0000
104	G	A	0.0000
105	A	A	-1.8095
106	R	A	-2.4408
107	F	A	-1.3328
108	G	A	-1.1978
109	A	A	0.0000
110	P	A	-0.5049
111	A	A	0.0000
112	I	A	0.0000
113	I	A	0.0000
114	G	A	-0.4315
115	S	A	-0.5958
116	M	A	0.0000
117	Q	A	0.0000
118	G	A	0.0000
119	N	A	-1.4103
120	V	A	-1.6714
121	E	A	-2.0214
122	P	A	-1.4532
123	G	A	-1.4228
124	T	A	-1.9895
125	E	A	-2.7654
126	R	A	-2.3800
127	P	A	-1.3315
128	Q	A	-1.3027
129	A	A	0.0000
130	V	A	-0.6146
131	A	A	-0.6067
132	W	A	-0.9079
133	L	A	0.0000
134	T	A	-1.2676
135	E	A	-2.2392
136	G	A	0.0000
137	L	A	0.0000
138	N	A	-2.0631
139	E	A	-1.9001
140	L	A	0.0000
141	G	A	0.0000
142	A	A	-2.1760
143	R	A	-2.3875
144	A	A	0.0000
145	Q	A	-2.8904
146	E	A	-3.0877
147	Q	A	-2.6493
148	G	A	-2.1804
149	V	A	-1.5683
150	N	A	-1.3788
151	L	A	0.0000
152	I	A	0.0000
153	Y	A	0.0000
154	E	A	0.0000
155	P	A	0.0000
156	L	A	0.0000
157	N	A	0.0000
158	R	A	-2.0598
159	Y	A	-0.5960
160	E	A	-2.0425
161	T	A	0.0000
162	N	A	-1.9151
163	M	A	0.0000
164	F	A	-0.8009
165	N	A	-1.2027
166	Q	A	-1.0738
167	L	A	0.0000
168	S	A	-0.8919
169	A	A	-0.8670
170	G	A	0.0000
171	A	A	0.0000
172	E	A	-2.4379
173	F	A	0.0000
174	L	A	0.0000
175	K	A	-2.8008
176	T	A	-1.8560
177	L	A	0.0000
178	D	A	-2.7805
179	T	A	-2.1939
180	Q	A	-2.1773
181	N	A	-1.6956
182	V	A	0.0000
183	L	A	-0.3682
184	L	A	0.0000
185	L	A	0.0000
186	A	A	0.0000
187	D	A	0.0000
188	L	A	0.0000
189	F	A	0.0220
190	H	A	0.0000
191	M	A	0.0000
192	N	A	-0.5397
193	I	A	-0.1651
194	E	A	-0.9755
195	E	A	-1.3120
196	E	A	-2.0218
197	S	A	-1.3133
198	L	A	-0.9831
199	A	A	0.0000
200	G	A	-1.2672
201	A	A	-1.1579
202	I	A	0.0000
203	R	A	-2.0812
204	A	A	-1.0133
205	N	A	-1.0591
206	A	A	-1.0225
207	S	A	-0.5911
208	Q	A	-0.5556
209	I	A	0.0000
210	G	A	-0.1867
211	H	A	0.0000
212	L	A	0.0000
213	H	A	0.0000
214	F	A	0.0000
215	A	A	0.0000
216	D	A	0.0000
217	S	A	-1.0249
218	N	A	-0.9048
219	R	A	-0.4651
220	R	A	-0.5437
221	P	A	0.0000
222	V	A	0.0000
223	G	A	-1.1657
224	M	A	-0.5973
225	G	A	-1.3544
226	H	A	-1.7467
227	T	A	-1.5013
228	D	A	-1.9700
229	M	A	0.0000
230	M	A	-0.4666
231	D	A	-0.9376
232	I	A	0.0000
233	A	A	0.0000
234	R	A	-1.0358
235	V	A	0.0000
236	L	A	0.0000
237	M	A	-0.2128
238	E	A	-1.9575
239	V	A	-1.0629
240	G	A	-0.4206
241	Y	A	0.0000
242	A	A	0.5457
243	G	A	0.0360
244	Y	A	-0.0359
245	A	A	0.0000
246	S	A	0.0000
247	A	A	0.0000
248	E	A	0.0000
249	V	A	0.0000
250	F	A	0.4231
251	P	A	-0.1679
252	W	A	-0.0553
253	P	A	-0.5410
254	D	A	-1.2200
255	P	A	-1.0716
256	D	A	-1.6412
257	A	A	-1.2367
258	A	A	0.0000
259	A	A	0.0000
260	E	A	-1.9743
261	Q	A	-1.5045
262	T	A	0.0000
263	M	A	0.0000
264	R	A	-2.9621
265	A	A	0.0000
266	F	A	0.0000
267	K	A	-2.4999
268	E	A	-2.6150
269	C	A	0.0000
270	F	A	0.0000
271	S	A	0.3380
272	V	A	2.0899
273	V	A	2.3214