Project name: 2s_albumin

Chain sequence(s)	A: RCRHQFQTQQRLRACQRVIRRWSQPPTLQRCCRQLRNVSPFCRCPSLRQAVQSAQQQQGQVGPQQVGHMYRVASRIPAICNLQPMRCPFR
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                                          (00:01:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:58)

• Minimal score value: -3.617
• Maximal score value: 1.5201
• Average score: -1.3917
• Total score value: -125.2519

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
40	R	A	-2.5555
41	C	A	-1.9368
42	R	A	-3.4130
43	H	A	-3.1070
44	Q	A	-2.7153
45	F	A	0.0000
46	Q	A	-3.0826
47	T	A	-2.1679
48	Q	A	-2.8966
49	Q	A	-2.9408
50	R	A	-3.4677
51	L	A	0.0000
52	R	A	-3.4233
53	A	A	0.0000
54	C	A	0.0000
55	Q	A	0.0000
56	R	A	-3.1932
57	V	A	0.0000
58	I	A	0.0000
59	R	A	-2.9824
60	R	A	-2.7765
61	W	A	-1.3246
62	S	A	0.0000
63	Q	A	-1.8533
93	P	A	-0.8148
94	P	A	-0.8373
95	T	A	-1.4254
96	L	A	-0.9558
97	Q	A	-1.8049
98	R	A	-2.6257
99	C	A	0.0000
100	C	A	-2.0842
101	R	A	-3.4519
102	Q	A	-3.2662
103	L	A	0.0000
104	R	A	-3.6170
105	N	A	-2.8226
106	V	A	0.0000
107	S	A	-0.5045
108	P	A	0.0525
109	F	A	1.5201
110	C	A	0.0000
111	R	A	0.0000
112	C	A	-0.5149
113	P	A	-0.8957
114	S	A	0.0000
115	L	A	0.0000
116	R	A	-2.0956
117	Q	A	-2.0936
118	A	A	0.0000
119	V	A	0.0000
120	Q	A	-1.9255
121	S	A	-2.0262
122	A	A	0.0000
123	Q	A	-1.9928
124	Q	A	-2.4086
125	Q	A	-2.6425
126	Q	A	-1.8131
127	G	A	-1.6275
128	Q	A	-1.7986
129	V	A	-1.0591
130	G	A	-1.1526
131	P	A	-1.2038
132	Q	A	-1.7074
133	Q	A	-1.9026
134	V	A	-1.3381
135	G	A	-1.3987
136	H	A	-2.1291
137	M	A	0.0000
138	Y	A	-1.6872
139	R	A	-2.5471
140	V	A	-1.6425
141	A	A	0.0000
142	S	A	-2.2028
143	R	A	-2.3556
144	I	A	0.0000
145	P	A	0.0000
146	A	A	-1.0866
147	I	A	0.0028
148	C	A	-1.0075
149	N	A	-1.3433
150	L	A	0.0000
151	Q	A	-1.6409
152	P	A	-1.0182
153	M	A	-1.5130
154	R	A	-2.4897
155	C	A	0.0000
156	P	A	-1.3120
157	F	A	-1.4712
158	R	A	-1.7369