Project name: well

Chain sequence(s)	A: PGVKPIRLFFGQQRRDVYPSALRRLLRFIAPDLVITHMEAHVNEATGRGKGCAWVIVPSVLEAKRLLRLSGRIFLDINSNGEEVYLFAPPNCREWLSEYADYVVSSTTRASHLPYLPMVVGVPKKECIYVRELLAPYIYDPNRGDCPPYADAVSEFKGLLEDHASLPV
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:33)

• Minimal score value: -3.687
• Maximal score value: 2.1788
• Average score: -0.4351
• Total score value: -73.0892

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	P	A	-0.3359
2	G	A	-0.1646
3	V	A	0.5971
4	K	A	-1.1870
5	P	A	-0.8374
6	I	A	0.0000
7	R	A	-0.7178
8	L	A	0.0000
9	F	A	0.6836
10	F	A	0.0000
11	G	A	0.2526
12	Q	A	-0.0518
13	Q	A	0.0000
14	R	A	-1.0173
15	R	A	-1.8411
16	D	A	0.0000
17	V	A	0.7677
18	Y	A	1.2430
19	P	A	-0.3145
20	S	A	-0.3771
21	A	A	0.0000
22	L	A	0.0000
23	R	A	-2.9023
24	R	A	-2.5784
25	L	A	0.0000
26	L	A	0.0000
27	R	A	-2.4577
28	F	A	-1.1400
29	I	A	0.0000
30	A	A	0.0000
31	P	A	-1.3215
32	D	A	-1.5283
33	L	A	-0.0129
34	V	A	1.2671
35	I	A	0.5345
36	T	A	0.1814
37	H	A	-1.1701
38	M	A	0.0000
39	E	A	-1.7101
40	A	A	-0.6368
41	H	A	-1.2028
42	V	A	-1.3335
43	N	A	-2.0583
44	E	A	-2.4798
45	A	A	-1.2996
46	T	A	-1.5171
47	G	A	-1.8655
48	R	A	-2.5259
49	G	A	0.0000
50	K	A	-2.4120
51	G	A	-1.5840
52	C	A	-0.5677
53	A	A	0.0000
54	W	A	-0.5371
55	V	A	0.0000
56	I	A	-0.0483
57	V	A	0.0000
58	P	A	0.3575
59	S	A	0.5923
60	V	A	0.7148
61	L	A	1.3522
62	E	A	0.8799
63	A	A	0.0000
64	K	A	0.1306
65	R	A	0.0819
66	L	A	0.0000
67	L	A	0.0000
68	R	A	0.0000
69	L	A	0.0000
70	S	A	0.3333
71	G	A	-0.0930
72	R	A	0.0000
73	I	A	0.0000
74	F	A	0.0000
75	L	A	0.0000
76	D	A	0.0000
77	I	A	-0.0901
78	N	A	-1.0643
79	S	A	-1.0813
80	N	A	-1.7734
81	G	A	-1.3446
82	E	A	-1.3517
83	E	A	-0.9292
84	V	A	0.0000
85	Y	A	0.0000
86	L	A	-0.0502
87	F	A	0.0000
88	A	A	0.0000
89	P	A	-0.4480
90	P	A	0.0000
91	N	A	-1.6154
92	C	A	-0.8170
93	R	A	0.0000
94	E	A	-2.1728
95	W	A	-0.9936
96	L	A	0.0000
97	S	A	-1.2082
98	E	A	-2.0883
99	Y	A	-0.6647
100	A	A	0.0000
101	D	A	-1.2251
102	Y	A	0.1320
103	V	A	0.0000
104	V	A	0.1394
105	S	A	-0.1067
106	S	A	-0.1984
107	T	A	-0.0256
108	T	A	-0.2468
109	R	A	-0.0709
110	A	A	-0.2183
111	S	A	-0.5077
112	H	A	-1.0517
113	L	A	0.0000
114	P	A	0.0000
115	Y	A	1.2607
116	L	A	0.8952
117	P	A	0.0000
118	M	A	0.0000
119	V	A	1.3184
120	V	A	0.0000
121	G	A	0.3093
122	V	A	-0.5950
123	P	A	0.0000
124	K	A	-2.3432
125	K	A	-2.3731
126	E	A	-1.0961
127	C	A	0.4347
128	I	A	1.5158
129	Y	A	1.5878
130	V	A	0.0000
131	R	A	-0.8159
132	E	A	-1.0019
133	L	A	-0.0279
134	L	A	0.0000
135	A	A	-0.4605
136	P	A	-0.6149
137	Y	A	-0.0302
138	I	A	-0.0442
139	Y	A	-1.0343
140	D	A	-2.9195
141	P	A	-2.8136
142	N	A	-3.1471
143	R	A	-3.6870
144	G	A	-2.8312
145	D	A	-2.5913
146	C	A	-0.9623
147	P	A	0.0000
148	P	A	0.2532
149	Y	A	0.9507
150	A	A	0.0000
151	D	A	-1.0260
152	A	A	0.1108
153	V	A	1.0686
154	S	A	-0.0507
155	E	A	0.0000
156	F	A	0.0137
157	K	A	-0.5434
158	G	A	0.1304
159	L	A	0.9687
160	L	A	-0.1394
161	E	A	-1.5050
162	D	A	0.0000
163	H	A	-1.2071
164	A	A	0.0000
165	S	A	-0.3272
166	L	A	0.2104
167	P	A	0.8219
168	V	A	2.1788