Project name: 676c2b0d526873

Chain sequence(s)	A: YKLTNDALGVGISGKVVTCYRVTDGKKCALKVLGNHEKARREVDLHWRANNCPHIVNIYDIYENNNLVTKKNHLLVVMECMEGGELFNRIQKRADKAFTEREAAQIVYEISSAIKFLHDMDIAHRDLKPENLLYTEDGSNGKLKLTDFGFAKEVHTTKILQTPCYTPYYVAPEVLGPEKYDKSCDLWSLGVITYILLCGYPPFFSQNGQPISPGMKKRIRNGEYTFPKSEWANVSTNAKDLITNMLVTDPEKRLTINQVMDHPWIH
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)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:06:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:36)

• Minimal score value: -3.5739
• Maximal score value: 1.9988
• Average score: -0.8588
• Total score value: -228.4414

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	Y	A	0.3300
2	K	A	-0.4083
3	L	A	0.4996
4	T	A	-0.7361
5	N	A	-1.6669
6	D	A	-1.8677
7	A	A	-0.4956
8	L	A	0.5398
9	G	A	0.6720
10	V	A	1.7348
11	G	A	0.9830
12	I	A	1.9988
13	S	A	0.7901
14	G	A	0.3248
15	K	A	-0.0543
16	V	A	0.2105
17	V	A	0.0000
18	T	A	0.0000
19	C	A	0.0000
20	Y	A	-0.4584
21	R	A	-0.6609
22	V	A	0.5707
23	T	A	-0.3893
24	D	A	-1.9913
25	G	A	-1.6180
26	K	A	-1.7375
27	K	A	-1.5802
28	C	A	0.0000
29	A	A	0.0000
30	L	A	0.0000
31	K	A	0.0000
32	V	A	0.1574
33	L	A	0.0000
34	G	A	-1.7810
35	N	A	-2.6187
36	H	A	-2.4045
37	E	A	-3.0473
38	K	A	-2.5182
39	A	A	0.0000
40	R	A	-2.9769
41	R	A	-2.5293
42	E	A	0.0000
43	V	A	0.0000
44	D	A	-2.3022
45	L	A	0.0000
46	H	A	0.0000
47	W	A	-0.5348
48	R	A	-1.2104
49	A	A	0.0000
50	N	A	-0.9196
51	N	A	-1.4778
52	C	A	0.0000
53	P	A	-0.7920
54	H	A	0.0000
55	I	A	0.0000
56	V	A	0.0000
57	N	A	-0.5793
58	I	A	0.0000
59	Y	A	0.1666
60	D	A	0.2010
61	I	A	0.5966
62	Y	A	-0.3143
63	E	A	-2.5256
64	N	A	-3.1052
65	N	A	-3.1317
66	N	A	-1.9005
67	L	A	0.5276
68	V	A	1.3019
69	T	A	-0.6153
70	K	A	-2.1418
71	K	A	-3.1739
72	N	A	-3.5180
73	H	A	-2.6456
74	L	A	0.0000
75	L	A	-0.1302
76	V	A	0.0000
77	V	A	0.0000
78	M	A	0.0000
79	E	A	-0.6844
80	C	A	-0.8106
81	M	A	-1.4743
82	E	A	-2.7465
83	G	A	-2.9719
84	G	A	-1.5416
85	E	A	-1.0508
86	L	A	0.0000
87	F	A	-0.6206
88	N	A	-1.5184
89	R	A	-1.6260
90	I	A	-1.5880
91	Q	A	-2.5474
92	K	A	-2.9863
93	R	A	-2.8353
94	A	A	-2.5255
95	D	A	-3.1311
96	K	A	-3.1049
97	A	A	-1.7708
98	F	A	0.0000
99	T	A	-1.2486
100	E	A	-1.7013
101	R	A	-2.7648
102	E	A	-2.0174
103	A	A	0.0000
104	A	A	0.0000
105	Q	A	-1.8667
106	I	A	0.0000
107	V	A	0.0000
108	Y	A	-0.0578
109	E	A	-0.4313
110	I	A	0.0000
111	S	A	0.0000
112	S	A	-0.1076
113	A	A	0.0000
114	I	A	0.0000
115	K	A	-1.0481
116	F	A	-0.6447
117	L	A	0.0000
118	H	A	0.0000
119	D	A	-2.1044
120	M	A	-1.3045
121	D	A	-2.0706
122	I	A	0.0000
123	A	A	0.0000
124	H	A	0.0000
125	R	A	0.0000
126	D	A	0.0000
127	L	A	0.0000
128	K	A	-0.3239
129	P	A	0.0000
130	E	A	-1.0237
131	N	A	0.0000
132	L	A	0.0000
133	L	A	-0.8259
134	Y	A	0.0000
135	T	A	-2.2271
136	E	A	-3.5719
137	D	A	-3.5739
138	G	A	-2.2133
139	S	A	-1.7639
140	N	A	-2.4076
141	G	A	-2.6382
142	K	A	-1.8824
143	L	A	0.0000
144	K	A	-0.4900
145	L	A	0.0000
146	T	A	-0.2872
147	D	A	-0.1249
148	F	A	0.0000
149	G	A	0.0000
150	F	A	0.1950
151	A	A	0.0000
152	K	A	-1.2573
153	E	A	-1.5467
154	V	A	-1.3791
155	H	A	-1.5981
156	T	A	-0.9551
157	T	A	-0.8914
158	K	A	-2.0510
159	I	A	-1.4809
160	L	A	0.0000
161	Q	A	-2.4002
162	T	A	-1.0030
163	P	A	-0.8010
164	C	A	0.0941
165	Y	A	0.5590
166	T	A	0.3401
167	P	A	0.3703
168	Y	A	0.8391
169	Y	A	0.3811
170	V	A	0.0000
171	A	A	0.0000
172	P	A	0.0000
173	E	A	0.0000
174	V	A	0.0000
175	L	A	0.0000
176	G	A	-1.4718
177	P	A	-1.8503
178	E	A	-2.9962
179	K	A	-3.2117
180	Y	A	0.0000
181	D	A	-1.9537
182	K	A	-0.9428
183	S	A	-0.9932
184	C	A	0.0000
185	D	A	0.0000
186	L	A	0.0000
187	W	A	0.0000
188	S	A	0.0000
189	L	A	0.0000
190	G	A	0.0000
191	V	A	0.0000
192	I	A	0.0000
193	T	A	0.0000
194	Y	A	0.0000
195	I	A	0.0000
196	L	A	0.0000
197	L	A	0.0000
198	C	A	0.0000
199	G	A	-1.2449
200	Y	A	0.3882
201	P	A	0.5739
202	P	A	0.0000
203	F	A	0.0000
204	F	A	0.8337
205	S	A	-0.7441
206	Q	A	-1.8070
207	N	A	-2.2517
208	G	A	-1.7061
209	Q	A	-1.6562
210	P	A	-0.7072
211	I	A	-0.4155
212	S	A	0.0000
213	P	A	-1.2584
214	G	A	-1.4759
215	M	A	0.0000
216	K	A	-1.8346
217	K	A	-3.2347
218	R	A	-2.5985
219	I	A	0.0000
220	R	A	-2.7985
221	N	A	-2.7544
222	G	A	-2.0222
223	E	A	-2.4859
224	Y	A	-0.5543
225	T	A	-0.2805
226	F	A	-0.1872
227	P	A	-0.9654
228	K	A	-2.1654
229	S	A	-1.5917
230	E	A	-1.7527
231	W	A	0.0000
232	A	A	-1.4274
233	N	A	-1.6829
234	V	A	-1.0119
235	S	A	-0.8663
236	T	A	-1.0084
237	N	A	-1.3741
238	A	A	0.0000
239	K	A	-1.1125
240	D	A	-1.7118
241	L	A	0.0000
242	I	A	0.0000
243	T	A	-0.6184
244	N	A	-0.8615
245	M	A	0.0000
246	L	A	0.0000
247	V	A	-0.7423
248	T	A	-1.3806
249	D	A	-1.8905
250	P	A	-1.8570
251	E	A	-2.8803
252	K	A	-2.7117
253	R	A	0.0000
254	L	A	-0.9839
255	T	A	-1.3604
256	I	A	0.0000
257	N	A	-2.0781
258	Q	A	-2.0758
259	V	A	0.0000
260	M	A	-1.4997
261	D	A	-2.5900
262	H	A	-1.8512
263	P	A	-1.2862
264	W	A	0.0000
265	I	A	0.0000
266	H	A	-1.6670