Project name: db7e218d961ca17

Chain sequence(s)	A: VKPIRLFFGQQRRDVYPSALRRLLRFIAPDLVITHMEAHVNEATGRGKGCAWVIVPSVLEAKRLLRLSGRIFLDINSNGEEVYLFAPPNCREWLSEYADYVVSSTTRASHLPYLPMVVGVPKKECIYVRELLAPYIYDPNRGDCPPYADAVSEFKGLLEDHASLPV
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                                          (00:02:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:14)

• Minimal score value: -2.7654
• Maximal score value: 1.7491
• Average score: -0.4732
• Total score value: -78.5524

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	V	A	0.9368
2	K	A	-0.8977
3	P	A	-0.6044
4	I	A	0.0000
5	R	A	-0.7540
6	L	A	0.0000
7	F	A	0.8290
8	F	A	0.0000
9	G	A	0.0000
10	Q	A	-0.0792
11	Q	A	-0.6984
12	R	A	-1.0649
13	R	A	-2.0756
14	D	A	-0.9152
15	V	A	-0.0520
16	Y	A	0.7803
17	P	A	-0.5948
18	S	A	-0.6448
19	A	A	-0.6859
20	L	A	0.0000
21	R	A	-2.2340
22	R	A	-2.0318
23	L	A	0.0000
24	L	A	0.0000
25	R	A	-2.0290
26	F	A	-0.0807
27	I	A	-0.0779
28	A	A	-0.6912
29	P	A	-1.2940
30	D	A	-1.5650
31	L	A	0.0000
32	V	A	1.2060
33	I	A	0.5003
34	T	A	0.0995
35	H	A	-0.9767
36	M	A	0.0000
37	E	A	-1.4926
38	A	A	-0.7887
39	H	A	-1.1547
40	V	A	-1.3820
41	N	A	-1.9291
42	E	A	-2.3074
43	A	A	-1.2647
44	T	A	-1.3221
45	G	A	-1.7854
46	R	A	-2.6849
47	G	A	0.0000
48	K	A	-1.9706
49	G	A	-1.5511
50	C	A	-0.6135
51	A	A	0.0000
52	W	A	-0.4301
53	V	A	0.0000
54	I	A	-0.1011
55	V	A	0.0000
56	P	A	0.4429
57	S	A	0.8578
58	V	A	1.1047
59	L	A	1.6837
60	E	A	0.0000
61	A	A	0.0000
62	K	A	-0.1085
63	R	A	-0.6594
64	L	A	0.0000
65	L	A	0.0000
66	R	A	-1.5036
67	L	A	0.0000
68	S	A	0.0000
69	G	A	0.0000
70	R	A	-0.4075
71	I	A	0.0000
72	F	A	0.0000
73	L	A	0.0000
74	D	A	0.0000
75	I	A	-0.5721
76	N	A	-1.1432
77	S	A	-1.0919
78	N	A	-1.7267
79	G	A	-0.8912
80	E	A	-1.2437
81	E	A	0.0000
82	V	A	0.0000
83	Y	A	-0.6542
84	L	A	0.0000
85	F	A	0.1677
86	A	A	0.0000
87	P	A	-0.2046
88	P	A	-1.3374
89	N	A	-2.2088
90	C	A	0.0000
91	R	A	0.0000
92	E	A	-1.9800
93	W	A	-1.3081
94	L	A	0.0000
95	S	A	-0.8299
96	E	A	-1.4723
97	Y	A	-0.3205
98	A	A	0.0000
99	D	A	-0.9932
100	Y	A	0.4397
101	V	A	0.5034
102	V	A	0.6363
103	S	A	0.0814
104	S	A	-0.0494
105	T	A	0.3396
106	T	A	0.3102
107	R	A	0.3220
108	A	A	0.0052
109	S	A	-0.5210
110	H	A	-1.0834
111	L	A	0.0000
112	P	A	0.0000
113	Y	A	1.2246
114	L	A	0.7349
115	P	A	0.0000
116	M	A	0.0000
117	V	A	0.9355
118	V	A	0.0000
119	G	A	0.3645
120	V	A	-0.4766
121	P	A	-1.2703
122	K	A	-2.2199
123	K	A	-2.2353
124	E	A	0.0000
125	C	A	0.5013
126	I	A	1.6639
127	Y	A	1.7491
128	V	A	0.0000
129	R	A	-0.4909
130	E	A	-0.8104
131	L	A	0.0814
132	L	A	0.0000
133	A	A	-0.2409
134	P	A	-0.0890
135	Y	A	0.1975
136	I	A	0.7880
137	Y	A	-0.0548
138	D	A	-1.5223
139	P	A	-1.7037
140	N	A	-2.6630
141	R	A	-2.7654
142	G	A	-2.4084
143	D	A	-2.6337
144	C	A	-1.5312
145	P	A	-0.9367
146	P	A	-0.5417
147	Y	A	0.2310
148	A	A	-0.4805
149	D	A	-1.2958
150	A	A	-0.0930
151	V	A	1.1198
152	S	A	0.0610
153	E	A	-1.5111
154	F	A	-0.9830
155	K	A	-1.7263
156	G	A	-0.6440
157	L	A	0.5221
158	L	A	-0.4201
159	E	A	-2.0084
160	D	A	-2.4606
161	H	A	-1.6925
162	A	A	-0.9678
163	S	A	0.0000
164	L	A	-0.1136
165	P	A	0.5538
166	V	A	1.5994