Project name: f7552176df82e8c

Chain sequence(s)	A: MSKIKGNVKVGGGGSGGSTVANIAPVFTGDCKTIPTPEECATFLYKVVNSGGWEKCWVEEVIPWDLGVPTPLVLHLVKNNALPNGKGLVPGCGGGYDVVAMANPERFMVGLDISENALKKARETFSTMPNSSCFSFVKEDVFTWRPEQPFDFIFDYVFFCAIDPKMRPAWGKAYELLKPDGELITLMYPITNHEGGPPFSVSESEYEKVLVPLGFKQLSLEDYSDLAVEPRKGKEKLARWKKMNN
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                                          (00:03:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:35)

• Minimal score value: -2.8799
• Maximal score value: 1.3282
• Average score: -0.7109
• Total score value: -174.1637

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	0.4987
2	S	A	-1.0808
3	K	A	-2.1086
4	I	A	0.0000
5	K	A	-2.3792
6	G	A	-1.3896
7	N	A	-0.9800
8	V	A	0.5048
9	K	A	-0.5770
10	V	A	0.7289
11	G	A	-0.3886
12	G	A	-0.7542
13	G	A	-0.8698
14	G	A	-1.0926
15	S	A	-0.9116
16	G	A	-0.9530
17	G	A	-0.6987
18	S	A	-0.1023
19	T	A	0.2793
20	V	A	1.3282
21	A	A	0.5918
22	N	A	-0.4185
23	I	A	0.1951
24	A	A	-0.1275
25	P	A	0.0695
26	V	A	0.2263
27	F	A	-0.1205
28	T	A	-1.1036
29	G	A	-1.6998
30	D	A	-2.0096
31	C	A	-0.9882
32	K	A	-1.1461
33	T	A	-0.8476
34	I	A	0.0000
35	P	A	-0.8965
36	T	A	-1.1948
37	P	A	0.0000
38	E	A	-1.8479
39	E	A	-1.7906
40	C	A	0.0000
41	A	A	0.0000
42	T	A	-0.8372
43	F	A	-0.0117
44	L	A	0.0000
45	Y	A	-0.2260
46	K	A	-1.4462
47	V	A	-0.9990
48	V	A	-0.7446
49	N	A	-1.6703
50	S	A	-1.2430
51	G	A	-1.0167
52	G	A	-0.7353
53	W	A	-0.0287
54	E	A	-0.9143
55	K	A	-1.0384
56	C	A	0.0000
57	W	A	0.0000
58	V	A	-0.1662
59	E	A	-1.8588
60	E	A	-2.0598
61	V	A	-0.5562
62	I	A	-0.3052
63	P	A	-0.2916
64	W	A	0.1314
65	D	A	-0.2465
66	L	A	0.0000
67	G	A	-0.3885
68	V	A	-0.2979
69	P	A	0.0000
70	T	A	0.0000
71	P	A	0.1339
72	L	A	0.0000
73	V	A	0.0000
74	L	A	0.0190
75	H	A	-0.7304
76	L	A	0.0000
77	V	A	-1.0068
78	K	A	-2.1973
79	N	A	-2.1152
80	N	A	-2.1759
81	A	A	-1.2694
82	L	A	0.0000
83	P	A	-1.2638
84	N	A	-2.2103
85	G	A	-1.5506
86	K	A	-1.3087
87	G	A	0.0000
88	L	A	0.0000
89	V	A	0.0000
90	P	A	0.0000
91	G	A	-0.1292
92	C	A	0.2407
93	G	A	0.0000
94	G	A	-0.6914
95	G	A	0.0000
96	Y	A	0.1313
97	D	A	-0.0014
98	V	A	0.0000
99	V	A	0.0000
100	A	A	0.0000
101	M	A	0.0000
102	A	A	0.0000
103	N	A	-1.0488
104	P	A	-1.1183
105	E	A	-2.3704
106	R	A	0.0000
107	F	A	-0.3674
108	M	A	0.0000
109	V	A	0.0000
110	G	A	0.0000
111	L	A	0.0000
112	D	A	0.0000
113	I	A	-0.0753
114	S	A	0.0000
115	E	A	-2.1672
116	N	A	-1.4745
117	A	A	0.0000
118	L	A	0.0000
119	K	A	-2.8688
120	K	A	-2.3445
121	A	A	0.0000
122	R	A	-2.5796
123	E	A	-2.8799
124	T	A	-2.0685
125	F	A	0.0000
126	S	A	-1.1847
127	T	A	-0.9073
128	M	A	0.0000
129	P	A	-0.0896
130	N	A	0.0000
131	S	A	-0.3205
132	S	A	-0.2450
133	C	A	-0.2631
134	F	A	0.0000
135	S	A	-0.0766
136	F	A	0.0000
137	V	A	-0.6333
138	K	A	-1.8250
139	E	A	-1.7324
140	D	A	-1.2700
141	V	A	0.0000
142	F	A	-0.5345
143	T	A	-0.6521
144	W	A	-1.3871
145	R	A	-2.4641
146	P	A	-2.0181
147	E	A	-2.7798
148	Q	A	-2.5894
149	P	A	-2.0718
150	F	A	0.0000
151	D	A	-1.5813
152	F	A	0.0000
153	I	A	0.0000
154	F	A	0.0000
155	D	A	0.0000
156	Y	A	0.0000
157	V	A	0.3979
158	F	A	0.2992
159	F	A	0.0000
160	C	A	0.0000
161	A	A	0.1584
162	I	A	0.0000
163	D	A	-1.1478
164	P	A	-1.1683
165	K	A	-1.8372
166	M	A	-0.7127
167	R	A	0.0000
168	P	A	-1.0800
169	A	A	-0.7395
170	W	A	0.0000
171	G	A	0.0000
172	K	A	-2.1060
173	A	A	0.0000
174	Y	A	0.0000
175	E	A	-2.6279
176	L	A	0.0000
177	L	A	0.0000
178	K	A	-2.2073
179	P	A	-2.1519
180	D	A	-2.6124
181	G	A	0.0000
182	E	A	-1.0845
183	L	A	0.0000
184	I	A	0.0000
185	T	A	0.0000
186	L	A	0.0000
187	M	A	0.0000
188	Y	A	0.0000
189	P	A	0.0000
190	I	A	-0.3896
191	T	A	-0.9441
192	N	A	-1.8254
193	H	A	-1.9928
194	E	A	-2.4078
195	G	A	-1.3214
196	G	A	-0.7631
197	P	A	0.0000
198	P	A	0.0000
199	F	A	-0.5129
200	S	A	-0.8108
201	V	A	0.0000
202	S	A	-0.7163
203	E	A	-1.0291
204	S	A	-1.2107
205	E	A	-1.5708
206	Y	A	0.0000
207	E	A	-1.8204
208	K	A	-1.9812
209	V	A	-1.0037
210	L	A	0.0000
211	V	A	0.1503
212	P	A	-0.1007
213	L	A	-0.3672
214	G	A	-0.4368
215	F	A	0.0000
216	K	A	-1.3001
217	Q	A	-0.4107
218	L	A	0.5695
219	S	A	0.4296
220	L	A	0.1524
221	E	A	-1.1938
222	D	A	-2.3997
223	Y	A	-1.5201
224	S	A	-2.1741
225	D	A	-2.3323
226	L	A	-1.0303
227	A	A	0.0000
228	V	A	0.0000
229	E	A	-2.5118
230	P	A	-1.6092
231	R	A	0.0000
232	K	A	-2.5887
233	G	A	-1.9309
234	K	A	-1.3747
235	E	A	0.0000
236	K	A	-1.2454
237	L	A	0.0000
238	A	A	0.0000
239	R	A	-0.2410
240	W	A	0.0000
241	K	A	-1.5609
242	K	A	-1.9148
243	M	A	-1.2243
244	N	A	-2.1518
245	N	A	-1.8064