Project name: query_structure

Chain sequence(s)	A: TKLYCICKTPEDESKFYIGCDRCQNWYHGRCVGILQSEAELIDEYVCPQCQSSTEDAMTVLTPLTEKDYEGLKRVLRSSLLQAHKMAWPFLEPVDPNDAPDYYGVIKEPMDLATMEERVQRRYYEKLTEFVADMTKIFDNCRYYNPSDSPFYQCAEVLESFFVQKKLKGFKA; P: ARTKQT
Selected Chain(s)	A,P
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 all 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                                          (00:03:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:08)

• Minimal score value: -3.7235
• Maximal score value: 0.9792
• Average score: -1.0268
• Total score value: -178.666

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
7	T	A	-0.9115
8	K	A	-1.5602
9	L	A	-0.1255
10	Y	A	-0.3283
11	C	A	0.0000
12	I	A	0.7437
13	C	A	0.3935
14	K	A	-1.0513
15	T	A	-0.9179
16	P	A	-1.6890
17	E	A	-3.2111
18	D	A	-3.2533
19	E	A	-3.4445
20	S	A	-2.2432
21	K	A	-2.4570
22	F	A	-1.8163
23	Y	A	0.0000
24	I	A	0.0000
25	G	A	0.0000
26	C	A	0.0000
27	D	A	-1.7851
28	R	A	-1.7429
29	C	A	-0.9401
30	Q	A	-1.5606
31	N	A	-0.6774
32	W	A	-0.3465
33	Y	A	0.0000
34	H	A	-0.8061
35	G	A	0.0000
36	R	A	-1.6527
37	C	A	-0.2901
38	V	A	-0.2362
39	G	A	-0.6136
40	I	A	-0.2615
41	L	A	-0.1102
42	Q	A	-1.6161
43	S	A	-1.0880
44	E	A	-1.2129
45	A	A	0.0000
46	E	A	-1.8083
47	L	A	-0.1255
48	I	A	-0.7126
49	D	A	-2.2890
50	E	A	-2.3212
51	Y	A	0.0000
52	V	A	-1.1247
53	C	A	0.0000
54	P	A	-0.9584
55	Q	A	-1.6331
56	C	A	-1.5871
57	Q	A	-2.0650
58	S	A	-1.8525
59	T	A	-1.6354
60	E	A	-2.2836
61	D	A	-2.5375
62	A	A	-0.8016
63	M	A	-0.0109
64	T	A	-0.1967
65	V	A	0.4188
66	L	A	0.9792
67	T	A	0.0597
68	P	A	-0.8650
69	L	A	0.0000
70	T	A	-2.2094
71	E	A	-3.1640
72	K	A	-3.3761
73	D	A	0.0000
74	Y	A	0.0000
75	E	A	-3.7235
76	G	A	-2.6986
77	L	A	0.0000
78	K	A	-3.2704
79	R	A	-3.4212
80	V	A	0.0000
81	L	A	0.0000
82	R	A	-2.8248
83	S	A	-1.6720
84	L	A	0.0000
85	Q	A	-1.2525
86	A	A	-0.8064
87	H	A	-0.8828
88	K	A	-1.3841
89	M	A	-0.3033
90	A	A	0.0000
91	W	A	0.6950
92	P	A	0.3489
93	F	A	0.0000
94	L	A	-0.2127
95	E	A	-1.7002
96	P	A	-1.2604
97	V	A	-1.3440
98	D	A	-2.6998
99	P	A	-2.2912
100	N	A	-2.9320
101	D	A	-3.1272
102	A	A	-2.2391
103	P	A	-1.9233
104	D	A	-1.9447
105	Y	A	-1.0316
106	Y	A	-0.8992
107	G	A	-0.7691
108	V	A	0.2627
109	I	A	0.0000
110	K	A	-2.2701
111	E	A	-2.6117
112	P	A	-1.5188
113	M	A	-1.1773
114	D	A	0.0000
115	L	A	0.0000
116	A	A	-1.0508
117	T	A	-1.1833
118	M	A	0.0000
119	E	A	-2.0780
120	E	A	-2.7816
121	R	A	-2.0955
122	V	A	0.0000
123	Q	A	-3.3038
124	R	A	-3.1580
125	R	A	-2.6993
126	Y	A	-1.1742
127	Y	A	0.0000
128	E	A	-2.1331
129	K	A	-1.2938
130	L	A	0.0000
131	T	A	-0.0744
132	E	A	-0.6042
133	F	A	0.0000
134	V	A	0.2539
135	A	A	-0.1979
136	D	A	0.0000
137	M	A	0.0000
138	T	A	-0.8618
139	K	A	-1.6513
140	I	A	0.0000
141	F	A	0.0000
142	D	A	-1.7810
143	N	A	-1.0523
144	C	A	0.0000
145	R	A	-0.4730
146	Y	A	0.8873
147	Y	A	0.8536
148	N	A	-0.0666
149	P	A	-0.7118
150	S	A	-1.2135
151	D	A	-2.0279
152	S	A	-1.0857
153	P	A	-0.6293
154	F	A	0.1933
155	Y	A	-0.6303
156	Q	A	-1.1053
157	C	A	0.0000
158	A	A	0.0000
159	E	A	-1.1993
160	V	A	-0.2046
161	L	A	0.0000
162	E	A	-0.6004
163	S	A	-0.1660
164	F	A	0.1726
165	F	A	0.0000
166	V	A	0.1405
167	Q	A	-1.4217
168	K	A	-1.5946
169	L	A	-0.9312
170	K	A	-2.1136
171	G	A	-1.6177
172	F	A	-0.6901
173	K	A	-0.7690
174	A	A	-0.3008
1	A	P	-1.5239
2	R	P	-1.5721
3	T	P	-1.3498
4	K	P	-2.2523
5	Q	P	-2.3752
6	T	P	-1.5700