Project name: 599638e0efac195

Chain sequence(s)	A: MFVNQHLCGSHLVEALYLVCGERGFFYTKPTRDADDRGIVEQCCTSICSLYQLENYCNRGKREARFVNQHLCGSHLVEALYLVCGERGFFYTKPTRDADDRGIVEQCCTSICSLYQLENYCNRGKREARFVNQHLCGSHLVEALYLVCGERGFFYTKPTRDADDRGIVEQCCTSICSLYQLENYCN
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                                          (00:04:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:44)

• Minimal score value: -3.6551
• Maximal score value: 2.7741
• Average score: -0.5952
• Total score value: -110.6999

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
0	M	A	1.9793
1	F	A	2.7741
2	V	A	2.2223
3	N	A	0.3518
4	Q	A	0.4716
5	H	A	0.1032
6	L	A	0.6177
7	C	A	0.1749
8	G	A	0.0000
9	S	A	-1.0049
10	H	A	-1.1911
11	L	A	0.0000
12	V	A	-0.0534
13	E	A	-1.1048
14	A	A	-0.0091
15	L	A	0.0000
16	Y	A	0.8008
17	L	A	1.6576
18	V	A	1.0113
19	C	A	0.0000
20	G	A	0.2145
21	E	A	-1.0482
22	R	A	-1.1033
23	G	A	0.0000
24	F	A	-0.2970
25	F	A	0.2864
26	Y	A	0.0231
27	T	A	-0.8212
28	K	A	-2.0023
29	P	A	-1.7965
30	T	A	0.0000
31	R	A	-3.0952
32	D	A	-2.1908
33	A	A	-1.8914
34	D	A	-2.7846
35	D	A	0.0000
36	R	A	-2.9071
37	G	A	-2.4086
38	I	A	0.0000
39	V	A	-0.6555
40	E	A	-0.8952
41	Q	A	-0.1834
42	C	A	0.0000
43	C	A	0.3918
44	T	A	0.2503
45	S	A	0.7166
46	I	A	1.9475
47	C	A	1.1760
48	S	A	0.7998
49	L	A	1.3144
50	Y	A	0.9555
51	Q	A	0.1506
52	L	A	0.0000
53	E	A	-0.2343
54	N	A	-0.8625
55	Y	A	0.0000
56	C	A	0.0000
57	N	A	0.0000
58	R	A	-1.7173
59	G	A	-1.9935
60	K	A	-3.0326
61	R	A	-2.8422
62	E	A	-1.9353
63	A	A	-1.0075
64	R	A	-1.0479
65	F	A	0.2506
66	V	A	1.1657
67	N	A	0.3239
68	Q	A	-0.0985
69	H	A	-0.3755
70	L	A	0.0000
71	C	A	-0.0375
72	G	A	-0.4947
73	S	A	-0.8922
74	H	A	-1.4847
75	L	A	0.0000
76	V	A	0.4491
77	E	A	-0.8688
78	A	A	0.0000
79	L	A	0.0000
80	Y	A	1.1475
81	L	A	1.6975
82	V	A	1.0011
83	C	A	0.0000
84	G	A	0.1283
85	E	A	-0.3766
86	R	A	-0.8561
87	G	A	-0.8078
88	F	A	0.0000
89	F	A	0.0019
90	Y	A	0.4121
91	T	A	-0.0888
92	K	A	-1.3497
93	P	A	-1.3302
94	T	A	-2.2937
95	R	A	-3.5785
96	D	A	-3.6549
97	A	A	-2.6060
98	D	A	-2.6182
99	D	A	-3.2700
100	R	A	-3.3918
101	G	A	-2.2055
102	I	A	0.0000
103	V	A	-0.7199
104	E	A	-1.9658
105	Q	A	-1.0069
106	C	A	0.0000
107	C	A	-0.0869
108	T	A	-0.3594
109	S	A	-0.2511
110	I	A	0.4951
111	C	A	0.0000
112	S	A	0.0000
113	L	A	1.4502
114	Y	A	1.4206
115	Q	A	0.3466
116	L	A	0.0000
117	E	A	0.3088
118	N	A	-0.7071
119	Y	A	-0.0064
120	C	A	0.0000
121	N	A	-1.4705
122	R	A	-1.8957
123	G	A	-1.9467
124	K	A	-3.0647
125	R	A	-3.2408
126	E	A	-2.0586
127	A	A	-0.9694
128	R	A	0.0000
129	F	A	0.2749
130	V	A	0.6960
131	N	A	0.0000
132	Q	A	-0.2532
133	H	A	-0.7599
134	L	A	0.0000
135	C	A	-0.4057
136	G	A	-0.5269
137	S	A	-0.8774
138	H	A	-1.3618
139	L	A	0.0000
140	V	A	0.3986
141	E	A	-0.7473
142	A	A	0.0000
143	L	A	0.0000
144	Y	A	1.0348
145	L	A	1.7346
146	V	A	0.8259
147	C	A	-0.1600
148	G	A	-0.2616
149	E	A	-1.6695
150	R	A	-2.2821
151	G	A	-1.5936
152	F	A	-1.0674
153	F	A	-0.7325
154	Y	A	-0.3648
155	T	A	-0.8577
156	K	A	-1.7864
157	P	A	-1.7073
158	T	A	-2.1152
159	R	A	-3.6272
160	D	A	-3.6551
161	A	A	-2.5614
162	D	A	-2.5918
163	D	A	-3.3584
164	R	A	-3.2784
165	G	A	-2.2040
166	I	A	0.0000
167	V	A	-1.0553
168	E	A	-2.2148
169	Q	A	-1.5226
170	C	A	0.0000
171	C	A	-0.7383
172	T	A	-0.6661
173	S	A	-0.6288
174	I	A	-0.1107
175	C	A	0.0000
176	S	A	0.0000
177	L	A	0.7748
178	Y	A	0.5998
179	Q	A	-0.7157
180	L	A	0.0000
181	E	A	-0.8002
182	N	A	-1.7190
183	Y	A	-0.8222
184	C	A	0.0000
185	N	A	-1.6828