Project name: 3f52927e539f54b

Chain sequence(s)	A: MKLLILTCLVAVALARPKHPIKHQGLPQEVLNENLLRFFVAPFPEVFGKEKVNELSKDIGSESTEDQAMEDIKQMEAESISSSEEIVPNSVEQKHIQKEDVPSERYLGYLEQLLRLKKYKVPQLEIVPNSAEERLHSMKEGIHAQQKEPMIGVNQELAYFYPELFRQFYQLDAYPSGAWYYVPLGTQYTDAPSFSDIPNPIGSENSEKTTMPLW
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                                          (00:04:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:54)

• Minimal score value: -4.0554
• Maximal score value: 4.2332
• Average score: -0.3671
• Total score value: -78.5561

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	1.4863
2	K	A	0.4791
3	L	A	2.4210
4	L	A	3.1198
5	I	A	3.0051
6	L	A	3.1545
7	T	A	2.9479
8	C	A	3.6659
9	L	A	4.2332
10	V	A	4.0217
11	A	A	2.8757
12	V	A	3.1316
13	A	A	2.0270
14	L	A	2.0630
15	A	A	0.6885
16	R	A	-1.6219
17	P	A	-1.7834
18	K	A	-2.4042
19	H	A	-1.9238
20	P	A	-0.7836
21	I	A	0.0827
22	K	A	-1.8084
23	H	A	-1.7936
24	Q	A	-1.7234
25	G	A	-1.0157
26	L	A	0.4226
27	P	A	-0.2917
28	Q	A	-1.3996
29	E	A	-1.8783
30	V	A	0.3802
31	L	A	0.4371
32	N	A	-1.5827
33	E	A	-2.0588
34	N	A	-0.9336
35	L	A	1.4229
36	L	A	1.4387
37	R	A	0.1455
38	F	A	2.7366
39	F	A	3.8486
40	V	A	3.3769
41	A	A	2.1130
42	P	A	1.1932
43	F	A	1.9854
44	P	A	0.5392
45	E	A	-0.2318
46	V	A	1.7407
47	F	A	1.3893
48	G	A	-0.9522
49	K	A	-2.6675
50	E	A	-3.0540
51	K	A	-2.8272
52	V	A	-0.6482
53	N	A	-1.5741
54	E	A	-1.7612
55	L	A	-0.2349
56	S	A	-1.1510
57	K	A	-2.1007
58	D	A	-1.6367
59	I	A	0.4594
60	G	A	-0.6115
61	S	A	-0.9581
62	E	A	-2.1443
63	S	A	-1.5402
64	T	A	-1.7969
65	E	A	-3.0469
66	D	A	-3.3162
67	Q	A	-2.2121
68	A	A	-0.7498
69	M	A	-0.4623
70	E	A	-1.7638
71	D	A	-1.8009
72	I	A	-0.2515
73	K	A	-1.4622
74	Q	A	-1.5515
75	M	A	-0.8012
76	E	A	-1.9501
77	A	A	-1.5353
78	E	A	-1.8537
79	S	A	-0.1595
80	I	A	1.3502
81	S	A	0.5733
82	S	A	-0.3891
83	S	A	-1.6439
84	E	A	-2.3991
85	E	A	-1.3804
86	I	A	1.5205
87	V	A	1.9260
88	P	A	0.5785
89	N	A	-0.8990
90	S	A	-0.5891
91	V	A	-0.1660
92	E	A	-2.3510
93	Q	A	-2.3543
94	K	A	-2.6257
95	H	A	-1.9958
96	I	A	-0.4504
97	Q	A	-2.3143
98	K	A	-2.9445
99	E	A	-3.1129
100	D	A	-2.5283
101	V	A	-0.2104
102	P	A	-0.3244
103	S	A	-1.0245
104	E	A	-1.6282
105	R	A	-1.6378
106	Y	A	0.7078
107	L	A	0.5181
108	G	A	-0.2157
109	Y	A	0.9562
110	L	A	1.1719
111	E	A	-0.5995
112	Q	A	-0.6391
113	L	A	-0.0570
114	L	A	-0.0500
115	R	A	-1.6357
116	L	A	-1.0293
117	K	A	-2.0898
118	K	A	-2.1116
119	Y	A	-0.5861
120	K	A	-1.8251
121	V	A	-0.9143
122	P	A	-1.0654
123	Q	A	-0.8250
124	L	A	0.8867
125	E	A	0.1070
126	I	A	2.0734
127	V	A	1.9339
128	P	A	-0.0296
129	N	A	-1.8913
130	S	A	-2.0980
131	A	A	-2.1624
132	E	A	-3.4462
133	E	A	-4.0554
134	R	A	-3.4539
135	L	A	-2.1702
136	H	A	-3.0422
137	S	A	-2.3049
138	M	A	-1.3190
139	K	A	-2.2410
140	E	A	-2.5417
141	G	A	-1.4786
142	I	A	-0.7289
143	H	A	-2.1521
144	A	A	-2.2143
145	Q	A	-2.7692
146	Q	A	-2.9827
147	K	A	-3.5729
148	E	A	-2.8231
149	P	A	-0.8744
150	M	A	0.7525
151	I	A	1.9441
152	G	A	0.2564
153	V	A	-0.2030
154	N	A	-1.5734
155	Q	A	-2.0658
156	E	A	-1.2883
157	L	A	0.8042
158	A	A	0.8585
159	Y	A	1.7763
160	F	A	2.7492
161	Y	A	2.0173
162	P	A	0.4485
163	E	A	-0.7987
164	L	A	0.5198
165	F	A	0.9901
166	R	A	-1.1770
167	Q	A	-0.7460
168	F	A	1.5670
169	Y	A	1.0830
170	Q	A	-0.2529
171	L	A	0.8288
172	D	A	-0.4443
173	A	A	0.0844
174	Y	A	0.5924
175	P	A	0.0137
176	S	A	0.0792
177	G	A	0.3830
178	A	A	0.9104
179	W	A	2.3005
180	Y	A	2.8731
181	Y	A	3.2493
182	V	A	3.2426
183	P	A	1.8036
184	L	A	1.7483
185	G	A	0.2945
186	T	A	-0.0927
187	Q	A	-0.7476
188	Y	A	0.1710
189	T	A	-0.6395
190	D	A	-1.6757
191	A	A	-0.5587
192	P	A	-0.5625
193	S	A	-0.0228
194	F	A	1.5809
195	S	A	0.2560
196	D	A	-0.6729
197	I	A	0.9824
198	P	A	-0.1853
199	N	A	-0.7508
200	P	A	0.1446
201	I	A	0.9751
202	G	A	-0.4937
203	S	A	-1.1942
204	E	A	-2.6798
205	N	A	-3.1184
206	S	A	-2.7238
207	E	A	-3.3742
208	K	A	-2.7336
209	T	A	-1.1815
210	T	A	-0.1448
211	M	A	1.2044
212	P	A	1.2729
213	L	A	2.2476
214	W	A	1.9793