Project name: 8cc177f3c6d8a94

Chain sequence(s)	A: KCVSYGVAQIKAPALHSSQGYTGSNVKVAVLDSGIDSSHPDLNVAGGASFVPSETNPFQDNNSHGTHVAGTVLAVAPSASLYAVKVLGADGSGQYSWVINGIEWAIANNMDVINMSLGGPSGSAALKAAVDKAVASGVVVVAAAGNSGTSGSSSTVSYPAKYPSVIAVGAVDSSNQRAPFSSVGPELDVMAPGVSICSTLPGGKYGAHSGTCPASNHVAGAAALILSKHPNNWTNTQVRSSLENTATKLGDSFYYGKGLINVEAAAQHHH
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                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -2.7814
• Maximal score value: 1.5586
• Average score: -0.5438
• Total score value: -145.7256

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
2	K	A	-1.2158
3	C	A	0.4056
4	V	A	1.5586
5	S	A	0.8671
6	Y	A	0.6686
7	G	A	0.0000
8	V	A	0.2169
9	A	A	-0.1237
10	Q	A	-0.3921
11	I	A	0.0000
12	K	A	-1.1181
13	A	A	0.0000
14	P	A	-0.7400
15	A	A	-0.9023
16	L	A	0.0000
17	H	A	-1.0182
18	S	A	-1.0061
19	Q	A	-1.5752
20	G	A	-1.1431
21	Y	A	-0.6446
22	T	A	-0.6234
23	G	A	0.0000
24	S	A	-1.0470
25	N	A	-1.6263
26	V	A	0.0000
27	K	A	-1.3153
28	V	A	0.0000
29	A	A	0.0000
30	V	A	0.0000
31	L	A	0.0000
32	D	A	0.0000
33	S	A	0.0000
34	G	A	0.0000
35	I	A	0.0000
36	D	A	-0.9673
37	S	A	-0.8974
38	S	A	-0.9611
39	H	A	0.0000
40	P	A	-1.7225
41	D	A	-2.4420
42	L	A	0.0000
43	N	A	-1.7018
44	V	A	-0.5387
45	A	A	-0.2742
46	G	A	-0.1679
47	G	A	-0.1642
48	A	A	-0.2061
49	S	A	-0.3990
50	F	A	-0.1743
51	V	A	0.0000
52	P	A	-0.4285
53	S	A	-0.5535
54	E	A	-0.9991
55	T	A	-0.8150
56	N	A	-1.3342
57	P	A	-0.7553
58	F	A	-0.4411
59	Q	A	-1.4829
60	D	A	0.0000
61	N	A	-1.8870
62	N	A	-1.6960
63	S	A	-1.0136
64	H	A	-0.7203
65	G	A	0.0000
66	T	A	0.0000
67	H	A	0.0000
68	V	A	0.0000
69	A	A	0.0000
70	G	A	-0.3913
71	T	A	0.0000
72	V	A	0.0000
73	L	A	-0.3760
74	A	A	-0.1060
75	V	A	0.0000
85	A	A	0.0000
86	P	A	-0.5708
87	S	A	-0.7068
88	A	A	0.0000
89	S	A	-0.7960
90	L	A	0.0000
91	Y	A	-0.0440
92	A	A	0.0000
93	V	A	0.0000
94	K	A	0.0000
95	V	A	0.0000
96	L	A	0.0000
97	G	A	-1.3136
98	A	A	-1.7789
99	D	A	-2.3043
100	G	A	-1.4980
101	S	A	-1.2448
102	G	A	-1.0767
103	Q	A	-1.0805
104	Y	A	-0.4403
105	S	A	-0.4522
106	W	A	-0.5314
107	V	A	0.0000
108	I	A	-0.7706
109	N	A	-1.3152
110	G	A	0.0000
111	I	A	0.0000
112	E	A	-2.1602
113	W	A	-1.1478
114	A	A	0.0000
115	I	A	-1.1204
116	A	A	-0.9007
117	N	A	-1.4346
118	N	A	-1.7075
119	M	A	0.0000
120	D	A	-1.2983
121	V	A	0.0000
122	I	A	0.0000
123	N	A	0.0000
124	M	A	0.0000
125	S	A	0.0000
126	L	A	-0.0501
127	G	A	-0.3933
128	G	A	-0.4204
129	P	A	-0.5684
130	S	A	-0.5357
131	G	A	-0.5294
132	S	A	-0.2949
133	A	A	-0.2600
134	A	A	-0.1871
135	L	A	0.0000
136	K	A	-1.2138
137	A	A	-0.8575
138	A	A	0.0000
139	V	A	0.0000
140	D	A	-1.3333
141	K	A	-1.9291
142	A	A	0.0000
143	V	A	-0.4219
144	A	A	-0.5821
145	S	A	-0.7762
146	G	A	-0.7169
147	V	A	0.0000
148	V	A	0.0000
149	V	A	0.0000
150	V	A	0.0000
151	A	A	0.0000
152	A	A	0.0000
153	A	A	0.0000
154	G	A	-0.8015
155	N	A	-1.3294
156	S	A	-0.8787
157	G	A	-0.5254
158	T	A	-0.5199
159	S	A	-0.6430
160	G	A	-0.7578
161	S	A	-0.5675
162	S	A	-0.5288
163	S	A	-0.4723
164	T	A	-0.7039
165	V	A	0.0000
166	S	A	-0.6860
167	Y	A	-0.4721
168	P	A	0.0000
169	A	A	0.0000
170	K	A	-1.0819
171	Y	A	0.0000
172	P	A	-0.7198
173	S	A	-0.5962
174	V	A	0.0000
175	I	A	0.0000
176	A	A	0.0000
177	V	A	0.0000
178	G	A	0.0000
179	A	A	0.0000
180	V	A	0.0000
181	D	A	-1.0868
182	S	A	-0.7998
183	S	A	-1.0794
184	N	A	-1.3474
185	Q	A	-1.7990
186	R	A	-0.9780
187	A	A	0.0000
188	P	A	-0.5395
189	F	A	-0.3950
190	S	A	0.0000
191	S	A	0.0000
192	V	A	0.0000
193	G	A	0.0000
194	P	A	-0.4368
195	E	A	-0.7576
196	L	A	0.0000
197	D	A	-1.0050
198	V	A	0.0000
199	M	A	0.0000
200	A	A	0.0000
201	P	A	0.0000
202	G	A	0.0000
203	V	A	-0.0107
204	S	A	0.0803
205	I	A	0.0000
206	C	A	0.4320
207	S	A	0.0000
208	T	A	0.0000
209	L	A	-0.6004
210	P	A	-1.1713
211	G	A	-1.1517
212	G	A	-1.5900
213	K	A	-2.1644
214	Y	A	-0.6628
215	G	A	-0.2788
216	A	A	0.0512
217	H	A	-0.3781
218	S	A	-0.3892
219	G	A	0.0000
220	T	A	0.0000
221	C	A	-0.2174
222	P	A	0.0000
223	A	A	0.0000
224	S	A	0.0000
225	N	A	0.0000
226	H	A	0.0000
227	V	A	0.0000
228	A	A	0.0000
229	G	A	0.0000
230	A	A	0.0000
231	A	A	0.0000
232	A	A	0.0000
233	L	A	0.0000
234	I	A	0.0000
235	L	A	0.0000
236	S	A	-0.8490
237	K	A	-1.0896
238	H	A	-1.0607
239	P	A	-1.2771
240	N	A	-1.5163
241	W	A	-0.9070
242	T	A	-0.7326
243	N	A	-0.6423
244	T	A	-0.5285
245	Q	A	-1.0661
246	V	A	0.0000
247	R	A	-0.8239
248	S	A	-1.1666
249	S	A	0.0000
250	L	A	0.0000
251	E	A	-1.7037
252	N	A	-2.1764
253	T	A	-1.5279
254	A	A	-1.5165
255	T	A	-1.4361
256	K	A	-2.5968
257	L	A	-1.6652
258	G	A	-1.7670
259	D	A	-2.1634
260	S	A	-1.5640
261	F	A	-0.5303
262	Y	A	-0.3016
263	Y	A	-1.1584
264	G	A	0.0000
265	K	A	-2.7814
266	G	A	0.0000
267	L	A	0.0000
268	I	A	0.0000
269	N	A	-0.8824
270	V	A	0.0000
271	E	A	-1.3879
272	A	A	-1.1227
273	A	A	0.0000
274	A	A	0.0000
275	Q	A	-1.7598
276	H	A	-1.8089
277	H	A	-1.8128
301	H	A	-1.6885