Project name: dead95086e24449

Chain sequence(s)	A: DPKRLYCKNGGFFLRIHPDGRVDGVREKSDPHIKLQLQAEERGVVSIKGVCANRYLAMKEDGRLLASKCVTDECFFFERLESNNYNTYRSRKYTSWYVALKRTGQYKLGSKTGPGQKAILFLPMSA
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                                          (00:02:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:19)

• Minimal score value: -3.6964
• Maximal score value: 0.6147
• Average score: -1.0726
• Total score value: -135.147

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
19	D	A	-2.0890
20	P	A	-1.4825
21	K	A	-1.1952
22	R	A	-1.0595
23	L	A	0.0000
24	Y	A	-0.3007
25	C	A	0.0000
26	K	A	-1.6582
27	N	A	0.0000
28	G	A	-1.9020
29	G	A	-1.4403
30	F	A	-1.9086
31	F	A	0.0000
32	L	A	0.0000
33	R	A	-1.2240
34	I	A	0.0000
35	H	A	-1.7689
36	P	A	-2.0208
37	D	A	-2.6888
38	G	A	-2.0985
39	R	A	-2.4443
40	V	A	0.0000
41	D	A	-1.2953
42	G	A	-1.4670
43	V	A	0.0000
44	R	A	-3.2066
45	E	A	-3.6964
46	K	A	-3.3732
47	S	A	-2.1345
48	D	A	-2.0142
49	P	A	-1.0443
50	H	A	-0.9128
51	I	A	0.0000
52	K	A	-1.4585
53	L	A	0.0000
54	Q	A	-1.2153
55	L	A	-0.7336
56	Q	A	-1.0686
57	A	A	-1.9251
58	E	A	-3.0580
59	E	A	-3.4091
60	R	A	-3.0849
61	G	A	-1.9659
62	V	A	0.0000
63	V	A	0.0000
64	S	A	0.0000
65	I	A	0.0000
66	K	A	-0.7577
67	G	A	0.0000
68	V	A	-0.2014
69	C	A	-0.0461
70	A	A	-1.2146
71	N	A	-1.5846
72	R	A	-1.6067
73	Y	A	-0.2994
74	L	A	0.0000
75	A	A	0.0000
76	M	A	0.0000
77	K	A	-2.4845
78	E	A	-3.3948
79	D	A	-3.1301
80	G	A	0.0000
81	R	A	-1.9849
82	L	A	0.0000
83	L	A	-0.7482
84	A	A	0.0000
85	S	A	-0.9976
86	K	A	-1.7664
87	C	A	0.0846
88	V	A	0.6147
89	T	A	-0.3931
90	D	A	-1.9861
91	E	A	-1.7047
92	C	A	0.0000
93	F	A	0.0000
94	F	A	0.0000
95	F	A	-1.2818
96	E	A	-1.3286
97	R	A	-1.7432
98	L	A	-0.5589
99	E	A	-1.5939
100	S	A	-1.5663
101	N	A	-1.9728
102	N	A	-1.9260
103	Y	A	-1.1268
104	N	A	-0.7983
105	T	A	0.0000
106	Y	A	0.0000
107	R	A	-0.9760
108	S	A	0.0000
109	R	A	-1.5201
110	K	A	-2.3761
111	Y	A	-1.2543
112	T	A	-0.6732
113	S	A	-0.7154
114	W	A	-0.5827
115	Y	A	-0.3301
116	V	A	0.0000
117	A	A	0.0000
118	L	A	0.0000
119	K	A	-2.4023
120	R	A	-2.8843
121	T	A	-1.6530
122	G	A	0.0000
123	Q	A	-1.7766
124	Y	A	-1.2163
125	K	A	-1.3337
126	L	A	-1.1953
127	G	A	0.0000
128	S	A	-1.6876
129	K	A	-1.7386
130	T	A	-1.2424
131	G	A	-1.0320
132	P	A	-0.8301
133	G	A	-1.0814
134	Q	A	-1.5821
135	K	A	-2.3072
136	A	A	0.0000
137	I	A	0.0000
138	L	A	-0.7271
139	F	A	0.0000
140	L	A	-0.2477
141	P	A	-0.0136
142	M	A	-0.1057
143	S	A	-0.7435
144	A	A	-1.0758