Project name: 4db60983423b451

Chain sequence(s)	A: MSDKIIHLTDDSFDTDVLKADGAILVDFWAEWCGPCKMIAPILDEIADEYQGKLTVAKLNIDQNPGTAPKYGIRGIPTLLLFKNGEVAATKVGALSKGQLKEFLDANLAPAPAPPAPAPPAPAPPQAGSKSQRAKYGTAGYGVEEAAAEKDTRISKKMETMGIYFAEAAAEYLDYVHAEKSREAAAEAGRQYHLAMAEAAAERWIGTVSDEDLEHHHHHH
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                                          (00:04:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:41)

• Minimal score value: -4.2927
• Maximal score value: 2.2511
• Average score: -1.1645
• Total score value: -256.1951

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	0.3221
2	S	A	-1.2572
3	D	A	-2.2521
4	K	A	-2.3926
5	I	A	0.0000
6	I	A	-0.4786
7	H	A	-1.0523
8	L	A	0.0000
9	T	A	-1.5451
10	D	A	-1.9763
11	D	A	-2.5232
12	S	A	-1.7668
13	F	A	0.0000
14	D	A	-2.2944
15	T	A	-1.7593
16	D	A	-1.7739
17	V	A	0.0000
18	L	A	-1.9348
19	K	A	-2.9527
20	A	A	-2.3667
21	D	A	-2.7762
22	G	A	-2.1484
23	A	A	-1.5000
24	I	A	0.0000
25	L	A	0.0000
26	V	A	0.0000
27	D	A	0.0000
28	F	A	0.0000
29	W	A	-0.4685
30	A	A	0.0000
31	E	A	-1.8058
32	W	A	-0.2376
33	C	A	0.0000
34	G	A	-0.8728
35	P	A	-0.4603
36	C	A	0.0000
37	K	A	-1.6578
38	M	A	-0.1735
39	I	A	0.0000
40	A	A	-0.5276
41	P	A	-0.6986
42	I	A	-0.9691
43	L	A	0.0000
44	D	A	-2.0357
45	E	A	-2.8738
46	I	A	0.0000
47	A	A	0.0000
48	D	A	-4.0413
49	E	A	-3.7882
50	Y	A	0.0000
51	Q	A	-3.1936
52	G	A	-2.3248
53	K	A	-2.5343
54	L	A	0.0000
55	T	A	-1.2470
56	V	A	0.0000
57	A	A	0.0000
58	K	A	0.0000
59	L	A	0.0000
60	N	A	0.0000
61	I	A	-1.2233
62	D	A	-2.3959
63	Q	A	-2.1265
64	N	A	0.0000
65	P	A	-1.4063
66	G	A	-1.3769
67	T	A	0.0000
68	A	A	0.0000
69	P	A	-1.4955
70	K	A	-1.8500
71	Y	A	-0.8984
72	G	A	-1.4219
73	I	A	0.0000
74	R	A	-1.9055
75	G	A	-0.8884
76	I	A	0.0655
77	P	A	0.0000
78	T	A	0.0000
79	L	A	0.0000
80	L	A	0.0000
81	L	A	0.0000
82	F	A	0.0000
83	K	A	-1.9558
84	N	A	-2.8028
85	G	A	-2.3644
86	E	A	-2.0567
87	V	A	-0.2491
88	A	A	-0.4280
89	A	A	-0.1986
90	T	A	0.1943
91	K	A	0.2191
92	V	A	1.1733
93	G	A	0.5465
94	A	A	-0.0022
95	L	A	-0.1879
96	S	A	-0.6979
97	K	A	-1.6275
98	G	A	-1.7575
99	Q	A	-2.2861
100	L	A	0.0000
101	K	A	-2.6793
102	E	A	-3.1248
103	F	A	-1.9102
104	L	A	0.0000
105	D	A	-2.5848
106	A	A	-1.4358
107	N	A	-1.1279
108	L	A	-1.1894
109	A	A	-0.6084
110	P	A	-0.4573
111	A	A	-0.2223
112	P	A	-0.3652
113	A	A	-0.2714
114	P	A	-0.4318
115	P	A	-0.4301
116	A	A	-0.2699
117	P	A	-0.4090
118	A	A	-0.2697
119	P	A	-0.4300
120	P	A	-0.4316
121	A	A	-0.2671
122	P	A	-0.4026
123	A	A	-0.4514
124	P	A	-0.7058
125	P	A	-1.0314
126	Q	A	-1.5081
127	A	A	-1.1837
128	G	A	-1.5420
129	S	A	-1.6227
130	K	A	-2.6566
131	S	A	-2.3206
132	Q	A	-3.0309
133	R	A	-2.9712
134	A	A	-1.9809
135	K	A	-1.8785
136	Y	A	-0.0513
137	G	A	-0.2800
138	T	A	-0.0246
139	A	A	0.5845
140	G	A	0.0022
141	Y	A	0.4084
142	G	A	-0.2124
143	V	A	0.2393
144	E	A	-2.0544
145	E	A	-2.8798
146	A	A	-2.0817
147	A	A	-2.5757
148	A	A	-3.0212
149	E	A	-4.0367
150	K	A	-4.2927
151	D	A	-3.8360
152	T	A	-3.0302
153	R	A	-3.7733
154	I	A	-1.6761
155	S	A	-2.2647
156	K	A	-3.2917
157	K	A	-2.1658
158	M	A	-0.4920
159	E	A	-1.6113
160	T	A	-0.1353
161	M	A	0.7320
162	G	A	0.6389
163	I	A	1.7328
164	Y	A	2.2511
165	F	A	2.1429
166	A	A	0.9312
167	E	A	-0.4648
168	A	A	0.1386
169	A	A	0.4851
170	A	A	-0.3903
171	E	A	-1.3339
172	Y	A	0.7007
173	L	A	0.5067
174	D	A	-1.2428
175	Y	A	0.2816
176	V	A	-0.3636
177	H	A	-1.9821
178	A	A	-1.7197
179	E	A	-2.7125
180	K	A	-3.6165
181	S	A	-2.9654
182	R	A	-3.9534
183	E	A	-4.1260
184	A	A	-2.8541
185	A	A	-2.5090
186	A	A	-2.7020
187	E	A	-3.4567
188	A	A	-1.9537
189	G	A	-1.7273
190	R	A	-2.5131
191	Q	A	-1.5587
192	Y	A	-0.0183
193	H	A	-0.6940
194	L	A	0.4770
195	A	A	0.2621
196	M	A	0.6920
197	A	A	-0.1677
198	E	A	-1.6130
199	A	A	-1.2426
200	A	A	-0.6568
201	A	A	-0.9862
202	E	A	-2.1841
203	R	A	-1.7932
204	W	A	0.5205
205	I	A	1.1506
206	G	A	-0.6548
207	T	A	-0.8505
208	V	A	-0.2144
209	S	A	-1.1769
210	D	A	-2.9547
211	E	A	-3.7932
212	D	A	-3.3608
213	L	A	-1.9722
214	E	A	-3.7071
215	H	A	-3.6005
216	H	A	-3.1679
217	H	A	-2.8720
218	H	A	-2.9583
219	H	A	-2.5382
220	H	A	-2.0178