Project name: Query1

Chain sequence(s)	A: QNSSQSMDLYILQNQRQYDAKIKQLADELANFKQLFQKQINALDVQADSMQLKLEQASAHLDPIILIDSWSKQCVQNYSVTIPTITVARDSIIKCKESISGILNAPESTYNTLNNYYKNNVKNGLAQCLKLHPTAQLNYTLCVTKVIGDANKYTITTQNTFNTNLKSSECTADNRIRNSWQCSFGQVYSITSKVELALQLIDSCISNKVICGSFEEQSCPNKSYVSLSEINPRNDTIRNPFKFVTNAMSCVEVLISS
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]                                                (00:00:00)
[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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:38)

• Minimal score value: -3.7932
• Maximal score value: 2.474
• Average score: -0.8602
• Total score value: -221.0807

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
22	Q	A	-2.1034
23	N	A	-2.5164
24	S	A	-1.8276
25	S	A	-1.7035
26	Q	A	-1.6001
27	S	A	-0.7370
28	M	A	0.0000
29	D	A	-0.8917
30	L	A	0.8455
31	Y	A	0.6315
32	I	A	0.1220
33	L	A	0.2397
34	Q	A	-1.3970
35	N	A	-1.5987
36	Q	A	-2.0101
37	R	A	-3.1134
38	Q	A	-3.0283
39	Y	A	0.0000
40	D	A	-2.8028
41	A	A	-2.3978
42	K	A	-2.3306
43	I	A	0.0000
44	K	A	-3.2161
45	Q	A	-2.9774
46	L	A	0.0000
47	A	A	-2.3599
48	D	A	-3.1884
49	E	A	-2.7151
50	L	A	0.0000
51	A	A	-1.5591
52	N	A	-1.7355
53	F	A	-1.1460
54	K	A	-1.5742
55	Q	A	-1.6927
56	L	A	-0.3592
57	F	A	0.0000
58	Q	A	-2.4464
59	K	A	-2.7085
60	Q	A	-2.1798
61	I	A	0.0000
62	N	A	-2.4384
63	A	A	-1.2677
64	L	A	0.0000
65	D	A	-1.5965
66	V	A	0.0421
67	Q	A	-0.3404
68	A	A	0.0000
69	D	A	-1.4560
70	S	A	-0.6958
71	M	A	0.0000
72	Q	A	-0.4076
73	L	A	0.0042
74	K	A	-0.8817
75	L	A	0.0000
76	E	A	-1.3310
77	Q	A	-1.9426
78	A	A	0.0000
79	S	A	-1.6237
80	A	A	-1.8070
81	H	A	-1.8031
82	L	A	0.0000
83	D	A	-1.7393
84	P	A	-0.2549
85	I	A	0.1451
86	I	A	-0.0451
87	L	A	1.7571
88	I	A	1.9407
89	D	A	0.0327
90	S	A	-0.6189
91	W	A	-0.5224
92	S	A	0.0000
93	K	A	-1.8371
94	Q	A	-2.1537
95	C	A	0.0000
96	V	A	0.0000
97	Q	A	-1.7956
98	N	A	-1.2434
99	Y	A	-0.2458
100	S	A	0.3867
101	V	A	1.2945
102	T	A	0.6992
103	I	A	0.7715
104	P	A	0.8166
105	T	A	0.8097
106	I	A	0.4436
107	T	A	0.3733
108	V	A	1.2064
109	A	A	0.0000
110	R	A	-1.3607
111	D	A	-1.5874
112	S	A	-0.8339
113	I	A	0.0000
114	I	A	-1.5042
115	K	A	-2.3941
116	C	A	0.0000
117	K	A	-2.3947
118	E	A	-2.4248
119	S	A	-1.0777
120	I	A	-0.7667
121	S	A	-0.7812
122	G	A	-0.9228
123	I	A	0.0000
124	L	A	0.0000
125	N	A	-1.7737
126	A	A	-1.2234
127	P	A	0.0000
128	E	A	-1.6730
129	S	A	-1.4047
130	T	A	-1.3129
131	Y	A	-1.3451
132	N	A	-1.8442
133	T	A	-1.3369
134	L	A	0.0000
135	N	A	-2.1398
136	N	A	-2.5951
137	Y	A	-2.2455
138	Y	A	0.0000
139	K	A	-3.6359
140	N	A	-3.7932
141	N	A	-3.3250
142	V	A	0.0000
143	K	A	-3.6312
144	N	A	-3.1441
145	G	A	-2.1159
146	L	A	-1.1033
147	A	A	-1.1357
148	Q	A	-1.0460
149	C	A	0.0000
150	L	A	0.1309
151	K	A	-0.7334
152	L	A	0.6337
153	H	A	-0.0219
154	P	A	-0.3995
155	T	A	-0.3252
156	A	A	-0.2132
157	Q	A	-0.5831
158	L	A	0.7868
159	N	A	0.0501
160	Y	A	0.0771
161	T	A	0.3371
162	L	A	0.6349
163	C	A	0.2118
164	V	A	0.0000
165	T	A	-0.6087
166	K	A	-1.8503
167	V	A	-1.7310
168	I	A	0.0000
169	G	A	-2.2003
170	D	A	-2.9953
171	A	A	0.0000
172	N	A	-2.1757
173	K	A	-2.1587
174	Y	A	-0.8157
175	T	A	0.0000
176	I	A	0.4057
177	T	A	-0.2813
178	T	A	0.0000
179	Q	A	-0.7216
180	N	A	-1.2895
181	T	A	-0.9641
182	F	A	0.0000
183	N	A	-1.7058
184	T	A	-1.6078
185	N	A	-1.8146
186	L	A	0.0000
187	K	A	-2.4024
188	S	A	-1.4779
189	S	A	0.0000
190	E	A	-2.6243
191	C	A	-1.5069
192	T	A	-1.7279
193	A	A	0.0000
194	D	A	-3.3835
195	N	A	-3.3072
196	R	A	-2.9857
197	I	A	-2.6524
198	R	A	-3.4257
199	N	A	-2.9624
200	S	A	0.0000
201	W	A	-0.7410
202	Q	A	-0.9973
203	C	A	-0.3339
204	S	A	0.0000
205	F	A	1.4499
206	G	A	0.7114
207	Q	A	0.5936
208	V	A	0.9245
209	Y	A	1.4582
210	S	A	0.3956
211	I	A	0.0000
212	T	A	-0.2238
213	S	A	-0.3399
214	K	A	-0.5626
215	V	A	0.0000
216	E	A	-1.4855
217	L	A	-0.2907
218	A	A	0.0000
219	L	A	-1.0088
220	Q	A	-1.5645
221	L	A	-0.7491
222	I	A	0.0000
223	D	A	-2.1994
224	S	A	-1.3008
225	C	A	0.0000
226	I	A	-1.2892
227	S	A	-1.6204
228	N	A	-2.1750
229	K	A	-1.5883
230	V	A	0.3097
231	I	A	1.9089
232	C	A	1.3362
233	G	A	0.8247
234	S	A	0.4203
235	F	A	0.4911
236	E	A	-2.3506
237	E	A	-2.8017
238	Q	A	-2.3941
239	S	A	-1.8830
240	C	A	-1.1933
241	P	A	-1.0420
242	N	A	-0.9679
243	K	A	-1.2600
244	S	A	0.4615
245	Y	A	1.6319
246	V	A	0.0000
247	S	A	0.5961
248	L	A	0.6115
249	S	A	-0.8132
250	E	A	-1.7749
251	I	A	-1.3212
252	N	A	-2.5305
253	P	A	-2.3837
254	R	A	-3.2776
255	N	A	-3.1087
256	D	A	-2.9651
257	T	A	-1.7012
258	I	A	-1.2653
259	R	A	-2.3894
260	N	A	-1.8324
261	P	A	-0.3305
262	F	A	0.4516
263	K	A	-0.7731
264	F	A	0.9494
265	V	A	1.1072
266	T	A	0.0150
267	N	A	-0.9113
268	A	A	-0.3775
269	M	A	0.0672
270	S	A	-0.0668
271	C	A	0.0543
272	V	A	0.0962
273	E	A	-0.4715
274	V	A	0.6998
275	L	A	1.3888
276	I	A	2.4740
277	S	A	1.2771
278	S	A	0.5303