Project name: srpp1

Chain sequence(s)	A: MAEEVEEERLKYLDFVRAAGVYAVDSFSTLYLYAKDISGPLKPGVDTIENVVKTVVTPVYYIPLEAVKFVDKTVDVSVTSLDGVVPPVIKQVSAQTYSVAQDAPRIVLDVASSVFNTGVQEGAKALYANLEPKAEQYAVITWRALNKLPLVPQVANVVVPTAVYFSEKYNDVVRGTTEQGYRVSSYLPLLPTEKITKVFGDEAS
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                                          (00:07:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:36)

• Minimal score value: -4.2403
• Maximal score value: 3.1258
• Average score: -0.354
• Total score value: -72.2105

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	0.3488
2	A	A	-0.5788
3	E	A	-2.1312
4	E	A	-2.5355
5	V	A	-1.3637
6	E	A	-3.5088
7	E	A	-3.8994
8	E	A	-4.2403
9	R	A	-4.1794
10	L	A	0.0000
11	K	A	-2.6735
12	Y	A	-0.7025
13	L	A	-0.2336
14	D	A	-0.7786
15	F	A	0.9801
16	V	A	1.3792
17	R	A	0.1948
18	A	A	0.8052
19	A	A	0.7532
20	G	A	0.9759
21	V	A	1.9117
22	Y	A	1.3140
23	A	A	1.2913
24	V	A	2.1636
25	D	A	0.1056
26	S	A	1.3013
27	F	A	2.5214
28	S	A	1.2650
29	T	A	0.9900
30	L	A	1.3498
31	Y	A	1.0992
32	L	A	1.6371
33	Y	A	1.1231
34	A	A	0.7677
35	K	A	-0.0858
36	D	A	-0.5835
37	I	A	1.2495
38	S	A	0.4325
39	G	A	-0.0625
40	P	A	0.1087
41	L	A	0.5222
42	K	A	-0.7528
43	P	A	-0.7381
44	G	A	-0.4687
45	V	A	-0.6049
46	D	A	-1.3982
47	T	A	-0.7761
48	I	A	-0.4716
49	E	A	-1.3575
50	N	A	-1.7259
51	V	A	-0.4052
52	V	A	-0.4403
53	K	A	-1.3828
54	T	A	-0.6621
55	V	A	0.0000
56	V	A	1.1857
57	T	A	1.1095
58	P	A	1.4302
59	V	A	2.5791
60	Y	A	3.1258
61	Y	A	3.0651
62	I	A	2.6205
63	P	A	1.0783
64	L	A	0.5053
65	E	A	-0.8579
66	A	A	0.1831
67	V	A	0.3531
68	K	A	-1.1341
69	F	A	0.8855
70	V	A	0.9933
71	D	A	0.0000
72	K	A	-0.7276
73	T	A	0.7252
74	V	A	0.6216
75	D	A	0.2554
76	V	A	1.5047
77	S	A	0.0000
78	V	A	0.6291
79	T	A	0.1176
80	S	A	0.1960
81	L	A	0.2844
82	D	A	-1.2033
83	G	A	-0.2559
84	V	A	1.3590
85	V	A	0.9520
86	P	A	0.7698
87	P	A	0.2281
88	V	A	1.0399
89	I	A	0.3497
90	K	A	-1.4813
91	Q	A	-1.2153
92	V	A	-0.0983
93	S	A	-0.2313
94	A	A	-0.3208
95	Q	A	-0.6477
96	T	A	0.1441
97	Y	A	0.8259
98	S	A	0.0685
99	V	A	0.4547
100	A	A	0.1964
101	Q	A	-1.2251
102	D	A	-0.9893
103	A	A	-0.3570
104	P	A	-0.6009
105	R	A	-1.4755
106	I	A	0.0028
107	V	A	0.7572
108	L	A	0.5072
109	D	A	-0.7460
110	V	A	0.4032
111	A	A	0.6952
112	S	A	0.2492
113	S	A	-0.1109
114	V	A	0.0000
115	F	A	1.2647
116	N	A	-0.4869
117	T	A	-0.7040
118	G	A	-0.3805
119	V	A	-0.1499
120	Q	A	-1.8955
121	E	A	-2.7291
122	G	A	0.0000
123	A	A	-1.0163
124	K	A	-2.0420
125	A	A	-1.1096
126	L	A	-0.4840
127	Y	A	-0.1510
128	A	A	-0.8851
129	N	A	-1.5651
130	L	A	-1.3568
131	E	A	-2.4490
132	P	A	-2.4451
133	K	A	-2.9784
134	A	A	-1.8773
135	E	A	-2.2692
136	Q	A	-1.8725
137	Y	A	-0.7975
138	A	A	-0.4822
139	V	A	-0.1897
140	I	A	0.3955
141	T	A	0.1567
142	W	A	-0.5407
143	R	A	-1.7932
144	A	A	-0.4334
145	L	A	-0.1775
146	N	A	-1.4225
147	K	A	-2.0855
148	L	A	0.0000
149	P	A	0.0458
150	L	A	0.6881
151	V	A	0.0170
152	P	A	-0.6623
153	Q	A	-0.5929
154	V	A	0.7526
155	A	A	0.0000
156	N	A	-0.4553
157	V	A	1.7852
158	V	A	2.2762
159	V	A	1.4229
160	P	A	1.0854
161	T	A	1.2250
162	A	A	1.0985
163	V	A	0.3989
164	Y	A	1.0478
165	F	A	0.4080
166	S	A	0.0000
167	E	A	-1.7452
168	K	A	-1.5491
169	Y	A	-0.6925
170	N	A	-1.4908
171	D	A	-2.8333
172	V	A	-1.5969
173	V	A	0.0000
174	R	A	-3.0566
175	G	A	-2.4720
176	T	A	-1.9930
177	T	A	-2.2782
178	E	A	-3.1909
179	Q	A	-2.6460
180	G	A	-1.8009
181	Y	A	-0.8250
182	R	A	-1.5674
183	V	A	0.2380
184	S	A	0.0000
185	S	A	-0.2351
186	Y	A	1.1719
187	L	A	0.8795
188	P	A	0.9630
189	L	A	0.5848
190	L	A	0.3520
191	P	A	-0.6970
192	T	A	-1.2101
193	E	A	-2.7052
194	K	A	-2.1328
195	I	A	-1.1451
196	T	A	-2.0032
197	K	A	-3.0148
198	V	A	-1.8163
199	F	A	-1.4199
200	G	A	-2.1428
201	D	A	-3.0682
202	E	A	-3.5070
203	A	A	-2.1187
204	S	A	-1.6568