Project name: 7522277c922fda6

Chain sequence(s)	A: MSKIKGNVKWFNESKGFGFIKVGGGGSGGSTVANIAPVFTGDCKTIPTPEECATFLYKVVNSGGWEKCWVEEVIPWDLGVPTPLVLHLVKNNALPNGKGLVPGCGGGYDVVAMANPERFMVGLDISENALKKARETFSTMPNSSCFSFVKEDVFTWRPEQPFDFIFDYVFFCAIDPKMRPAWGKAYELLKPDGELITLMYPITNHEGGPPFSVSESEYEKVLVPLGFKQLSLEDYSDLAVEPRKGKEKLARWKKMNN
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                                          (00:04:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:22)

• Minimal score value: -3.0559
• Maximal score value: 1.3307
• Average score: -0.7395
• Total score value: -190.045

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	0.5895
2	S	A	-0.5952
3	K	A	-1.7450
4	I	A	-1.4263
5	K	A	-2.2258
6	G	A	-1.7290
7	N	A	-1.3907
8	V	A	0.3725
9	K	A	-0.7467
10	W	A	-0.0045
11	F	A	0.2176
12	N	A	-0.9934
13	E	A	-2.0757
14	S	A	-1.4112
15	K	A	-1.4886
16	G	A	-1.2858
17	F	A	0.0000
18	G	A	0.0000
19	F	A	0.0000
20	I	A	0.0000
21	K	A	-1.6332
22	V	A	-1.2137
23	G	A	-1.6738
24	G	A	-1.4330
25	G	A	-1.0835
26	G	A	-1.1633
27	S	A	-0.9477
28	G	A	-1.0077
29	G	A	-0.7239
30	S	A	-0.1618
31	T	A	0.2348
32	V	A	1.3307
33	A	A	0.0732
34	N	A	-0.8807
35	I	A	-0.3493
36	A	A	-0.3499
37	P	A	-0.0307
38	V	A	0.7391
39	F	A	0.1197
40	T	A	-0.6227
41	G	A	-1.5617
42	D	A	-2.1764
43	C	A	-1.3388
44	K	A	-1.8012
45	T	A	-1.1750
46	I	A	0.0000
47	P	A	-0.9685
48	T	A	-1.1705
49	P	A	0.0000
50	E	A	-1.8696
51	E	A	-1.8114
52	C	A	0.0000
53	A	A	0.0000
54	T	A	-0.8906
55	F	A	-0.0685
56	L	A	0.0000
57	Y	A	-0.3328
58	K	A	-1.5732
59	V	A	-1.0707
60	V	A	-0.7866
61	N	A	-1.7098
62	S	A	-1.2760
63	G	A	-1.0500
64	G	A	-0.7203
65	W	A	0.0113
66	E	A	-0.9170
67	K	A	-1.0757
68	C	A	0.0000
69	W	A	0.0000
70	V	A	-0.1854
71	E	A	-1.8747
72	E	A	-2.0558
73	V	A	-0.5400
74	I	A	-0.2111
75	P	A	-0.2937
76	W	A	0.1741
77	D	A	0.0000
78	L	A	0.0000
79	G	A	-0.6739
80	V	A	-0.4489
81	P	A	0.0000
82	T	A	0.0000
83	P	A	-0.0332
84	L	A	0.0000
85	V	A	0.0000
86	L	A	-0.4610
87	H	A	-1.0688
88	L	A	0.0000
89	V	A	0.0000
90	K	A	-2.3015
91	N	A	-2.5703
92	N	A	-2.4632
93	A	A	-1.4580
94	L	A	0.0000
95	P	A	-1.2303
96	N	A	-2.0837
97	G	A	-1.3384
98	K	A	-0.8871
99	G	A	0.0000
100	L	A	0.0000
101	V	A	0.0000
102	P	A	0.0000
103	G	A	-0.0315
104	C	A	0.2774
105	G	A	0.0000
106	G	A	0.0000
107	G	A	0.0000
108	Y	A	0.1271
109	D	A	-0.0405
110	V	A	0.0000
111	V	A	0.0000
112	A	A	0.0000
113	M	A	0.0000
114	A	A	0.0000
115	N	A	-0.9630
116	P	A	-1.0620
117	E	A	-2.2556
118	R	A	0.0000
119	F	A	0.0300
120	M	A	0.0000
121	V	A	0.0000
122	G	A	0.0000
123	L	A	0.0000
124	D	A	-0.4217
125	I	A	0.3681
126	S	A	0.0000
127	E	A	-2.1368
128	N	A	-1.6790
129	A	A	0.0000
130	L	A	0.0000
131	K	A	-3.0559
132	K	A	-2.5108
133	A	A	0.0000
134	R	A	-2.7645
135	E	A	-2.9927
136	T	A	-1.7587
137	F	A	0.0000
138	S	A	-1.2146
139	T	A	-0.6540
140	M	A	0.0000
141	P	A	-0.3560
142	N	A	0.0000
143	S	A	-0.3042
144	S	A	-0.1554
145	C	A	-0.0809
146	F	A	0.3270
147	S	A	0.0344
148	F	A	0.0000
149	V	A	-0.4934
150	K	A	-1.6020
151	E	A	-1.4368
152	D	A	-0.9489
153	V	A	0.0000
154	F	A	-0.5143
155	T	A	-0.6248
156	W	A	-1.3550
157	R	A	-2.5314
158	P	A	-2.0665
159	E	A	-2.8041
160	Q	A	-2.5298
161	P	A	-1.9482
162	F	A	0.0000
163	D	A	-1.3541
164	F	A	0.0000
165	I	A	0.0000
166	F	A	0.0000
167	D	A	0.0000
168	Y	A	0.2845
169	V	A	0.4910
170	F	A	0.3426
171	F	A	0.0000
172	C	A	0.0000
173	A	A	0.1601
174	I	A	0.0000
175	D	A	-1.0836
176	P	A	-1.1484
177	K	A	-1.8284
178	M	A	-0.7066
179	R	A	0.0000
180	P	A	-1.0718
181	A	A	-0.7466
182	W	A	0.0000
183	G	A	0.0000
184	K	A	-2.1280
185	A	A	0.0000
186	Y	A	0.0000
187	E	A	-2.7014
188	L	A	0.0000
189	L	A	-1.6705
190	K	A	-2.1194
191	P	A	-2.1348
192	D	A	-2.5753
193	G	A	0.0000
194	E	A	0.0000
195	L	A	0.0000
196	I	A	0.0000
197	T	A	0.0000
198	L	A	0.0000
199	M	A	0.0000
200	Y	A	0.0000
201	P	A	0.0000
202	I	A	-0.3615
203	T	A	-0.9248
204	N	A	-1.8020
205	H	A	-2.0137
206	E	A	-2.4678
207	G	A	-1.3907
208	G	A	-0.8351
209	P	A	0.0000
210	P	A	0.0000
211	F	A	-0.5124
212	S	A	-0.8281
213	V	A	0.0000
214	S	A	-0.7496
215	E	A	-1.0899
216	S	A	-1.3985
217	E	A	-1.5998
218	Y	A	0.0000
219	E	A	-1.8660
220	K	A	-1.9783
221	V	A	-0.9769
222	L	A	0.0000
223	V	A	0.1672
224	P	A	-0.0664
225	L	A	-0.4123
226	G	A	-0.5258
227	F	A	0.0000
228	K	A	-1.4411
229	Q	A	-0.3530
230	L	A	0.7992
231	S	A	0.5496
232	L	A	0.2522
233	E	A	-1.1460
234	D	A	-2.3908
235	Y	A	-1.5869
236	S	A	-2.1464
237	D	A	-2.3689
238	L	A	-1.0875
239	A	A	0.0000
240	V	A	-1.3921
241	E	A	-2.3848
242	P	A	-1.4945
243	R	A	0.0000
244	K	A	-2.3605
245	G	A	-1.8124
246	K	A	-1.1489
247	E	A	0.0000
248	K	A	-1.2360
249	L	A	0.0000
250	A	A	0.0000
251	R	A	-0.0845
252	W	A	0.0000
253	K	A	-1.5959
254	K	A	-2.4051
255	M	A	-1.3736
256	N	A	-2.1900
257	N	A	-1.8414