Project name: K88

Chain sequence(s)	A: AWMTGDFNGSVDIGGSITADDYRQKWEWKVGTGLNGFGNVLNDLTNGGTKLTITVTGNKPILLGRTKEAFATPVTGGVDGIPHIAFTDYEGASVVLRNPDGETNKKGLAYFVLPMKNAEGTKVGSVKVNASYAGVLGRGGVTSADGELLSLFADGLSSIFYGGLPRGSELSAGSAAAARTKLFGSLSRNDILGQIQRVNANITSLVDVAGSYRENMEYTDGTVVSAAYALGIANGQTIEATFNQAVTTSTQWSAPLNVAITYY
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                                          (00:01:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:37)

• Minimal score value: -3.037
• Maximal score value: 1.3759
• Average score: -0.7068
• Total score value: -185.8895

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
21	A	A	0.5329
22	W	A	0.7493
23	M	A	0.9025
24	T	A	-0.2562
25	G	A	-0.8699
26	D	A	-1.7497
27	F	A	-0.7980
28	N	A	-1.5303
29	G	A	-0.7919
30	S	A	-0.7762
31	V	A	-0.6555
32	D	A	-1.3449
33	I	A	0.0000
34	G	A	0.0000
35	G	A	0.0000
36	S	A	-0.9715
37	I	A	0.0000
38	T	A	-1.0672
39	A	A	-1.0104
40	D	A	-2.3216
41	D	A	-2.0844
42	Y	A	-1.0714
43	R	A	-2.5762
44	Q	A	-2.9291
45	K	A	-2.4139
46	W	A	-0.8194
47	E	A	-1.6073
48	W	A	-0.0295
49	K	A	-1.0898
50	V	A	0.6222
51	G	A	-0.3553
52	T	A	-0.6620
53	G	A	-1.1769
54	L	A	0.0000
55	N	A	-2.0117
56	G	A	-1.4275
57	F	A	-1.0055
58	G	A	-1.0866
59	N	A	-0.9456
60	V	A	-1.1284
61	L	A	-0.9896
62	N	A	-1.9731
63	D	A	-1.8834
64	L	A	-1.3533
65	T	A	-1.4378
66	N	A	-1.6539
67	G	A	-1.3322
68	G	A	-1.4569
69	T	A	-1.4907
70	K	A	-1.5442
71	L	A	0.0000
72	T	A	-0.6836
73	I	A	0.0000
74	T	A	-0.5762
75	V	A	0.0000
76	T	A	-0.9590
77	G	A	-1.3238
78	N	A	-1.4953
79	K	A	-1.1844
80	P	A	-0.4670
81	I	A	0.0000
82	L	A	0.0000
83	L	A	-0.2503
84	G	A	-0.6782
85	R	A	-2.0836
86	T	A	-2.1346
87	K	A	-2.9070
88	E	A	-2.8675
89	A	A	0.0000
90	F	A	-0.2620
91	A	A	-0.3542
92	T	A	0.0000
93	P	A	-0.5930
94	V	A	-0.2584
95	T	A	-0.3116
96	G	A	-0.4816
97	G	A	-0.3302
98	V	A	0.7234
99	D	A	-0.7338
100	G	A	-0.3670
101	I	A	0.0000
102	P	A	-0.0905
103	H	A	0.3163
104	I	A	0.0000
105	A	A	0.0268
106	F	A	0.0000
107	T	A	-0.4252
108	D	A	0.0000
109	Y	A	-1.0962
110	E	A	-2.0046
111	G	A	-1.3780
112	A	A	-0.6849
113	S	A	-0.1336
114	V	A	0.0000
115	V	A	1.3255
116	L	A	0.0000
117	R	A	-1.8151
118	N	A	-2.3829
119	P	A	-2.1649
120	D	A	-2.9965
121	G	A	-2.7674
122	E	A	-3.0370
123	T	A	-2.0688
124	N	A	-2.0321
125	K	A	-2.2466
126	K	A	-2.1503
127	G	A	0.0000
128	L	A	-0.5867
129	A	A	0.0000
130	Y	A	0.0000
131	F	A	0.0000
132	V	A	0.6347
133	L	A	0.0000
134	P	A	-0.6144
135	M	A	0.0000
136	K	A	-1.8957
137	N	A	-1.9169
138	A	A	-1.7087
139	E	A	-2.5258
140	G	A	-1.9192
141	T	A	-1.7926
142	K	A	-2.4000
143	V	A	-1.4589
144	G	A	-1.3236
145	S	A	-0.6690
146	V	A	0.0000
147	K	A	-0.4820
148	V	A	0.0000
149	N	A	-0.5216
150	A	A	0.0000
151	S	A	0.0000
152	Y	A	0.0000
153	A	A	0.0000
154	G	A	0.0000
155	V	A	0.0000
156	L	A	0.0000
157	G	A	0.0000
158	R	A	-0.6833
159	G	A	0.0000
160	G	A	0.0786
161	V	A	1.3759
162	T	A	0.3836
163	S	A	-0.3140
164	A	A	-0.5820
165	D	A	-1.3363
166	G	A	0.0000
167	E	A	-0.8125
168	L	A	0.0000
169	L	A	0.0000
170	S	A	0.0000
171	L	A	0.0000
172	F	A	0.0000
173	A	A	0.0000
174	D	A	-2.3090
175	G	A	-0.7583
176	L	A	1.1199
177	S	A	0.0848
178	S	A	0.0000
179	I	A	0.0000
180	F	A	0.0000
181	Y	A	0.0720
182	G	A	0.1134
183	G	A	0.0000
184	L	A	0.0000
185	P	A	-1.5514
186	R	A	-2.7955
187	G	A	-2.2402
188	S	A	0.0000
189	E	A	0.0000
190	L	A	-0.9262
191	S	A	-0.5197
192	A	A	-0.3207
193	G	A	0.0000
194	S	A	-0.3663
195	A	A	-0.6570
196	A	A	0.0000
197	A	A	0.0000
198	A	A	-0.5881
199	R	A	-0.5181
200	T	A	0.0000
201	K	A	-1.8757
202	L	A	-0.2624
203	F	A	0.0000
204	G	A	-1.0414
205	S	A	0.0000
206	L	A	0.0000
207	S	A	-1.9417
208	R	A	-2.2679
209	N	A	-2.4788
210	D	A	-2.4168
211	I	A	0.0000
212	L	A	-1.5332
213	G	A	-1.6580
214	Q	A	-1.8559
215	I	A	0.0000
216	Q	A	-0.9709
217	R	A	-1.7085
218	V	A	0.3320
219	N	A	0.0000
220	A	A	-0.2149
221	N	A	-0.3886
222	I	A	0.0000
223	T	A	-0.6207
224	S	A	-0.8653
225	L	A	0.0000
226	V	A	0.0501
227	D	A	-0.6520
228	V	A	-0.0702
229	A	A	0.0292
230	G	A	-0.1829
231	S	A	-0.5056
232	Y	A	-0.7568
233	R	A	-2.2157
234	E	A	0.0000
235	N	A	-0.9680
236	M	A	0.0000
237	E	A	-1.1417
238	Y	A	-0.7989
239	T	A	-1.0741
240	D	A	-1.6630
241	G	A	-0.3086
242	T	A	-0.1598
243	V	A	-0.0335
244	V	A	0.0000
245	S	A	0.0000
246	A	A	0.0000
247	A	A	0.0000
248	Y	A	0.0000
249	A	A	0.0000
250	L	A	0.0000
251	G	A	0.0000
252	I	A	0.0000
253	A	A	-1.1176
254	N	A	-1.9985
255	G	A	-1.3465
256	Q	A	-0.9313
257	T	A	-0.6852
258	I	A	0.0000
259	E	A	-0.7860
260	A	A	0.0000
261	T	A	-1.1129
262	F	A	0.0000
263	N	A	-2.0898
264	Q	A	-1.8702
265	A	A	-1.0827
266	V	A	-0.3675
267	T	A	-0.1489
268	T	A	-0.0565
269	S	A	-0.5953
270	T	A	-0.9045
271	Q	A	-1.7866
272	W	A	0.0000
273	S	A	-1.2054
274	A	A	0.0000
275	P	A	-0.8459
276	L	A	0.0000
277	N	A	-1.1084
278	V	A	0.0000
279	A	A	-0.8000
280	I	A	-0.5958
281	T	A	-0.5970
282	Y	A	0.2460
283	Y	A	0.6049