Project name: d80b66979953bb1

Chain sequence(s)	A: GKITLYEDRGFQGRHYECSSDHPNLQPYLSRCNSARVDSGCWMLYEQPNYSGLQYFLRRGDYADHQQWMGLSDSVRSCRLIPHSGSHRIRLYEREDYRGQMIEFTEDCSCLEDRFRFNEIHSLNVLEGSWVLYELSNYRGRQYLLMPGDYRRYQDWGATNARVGSLRRVIDFS
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                                          (00:01:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:43)

• Minimal score value: -3.8235
• Maximal score value: 0.5612
• Average score: -1.1645
• Total score value: -201.4576

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	G	A	-1.4570
2	K	A	-2.2857
3	I	A	0.0000
4	T	A	0.0000
5	L	A	0.0000
6	Y	A	-1.8838
7	E	A	0.0000
8	D	A	-2.7691
9	R	A	-2.5162
10	G	A	-1.6613
11	F	A	-1.8409
12	Q	A	-2.5287
13	G	A	-2.4547
14	R	A	-2.3537
15	H	A	-2.2323
16	Y	A	-1.2512
17	E	A	-2.2186
18	C	A	0.0000
19	S	A	-1.4414
20	S	A	-1.2956
21	D	A	-1.6358
22	H	A	-1.5821
23	P	A	-1.5966
24	N	A	-1.5738
25	L	A	0.0000
26	Q	A	-1.2123
27	P	A	-0.5239
28	Y	A	-0.6261
29	L	A	0.0000
30	S	A	-1.2764
31	R	A	-1.8110
32	C	A	0.0000
33	N	A	0.0000
34	S	A	0.0000
35	A	A	0.0000
36	R	A	-2.7816
37	V	A	0.0000
38	D	A	-3.2185
39	S	A	-2.3313
40	G	A	-1.7178
41	C	A	0.0000
42	W	A	0.0000
43	M	A	0.0000
44	L	A	0.0000
45	Y	A	0.0000
46	E	A	-1.6120
47	Q	A	-1.8443
48	P	A	-1.7589
49	N	A	-2.0500
50	Y	A	-1.3520
51	S	A	-1.0937
52	G	A	-1.0663
53	L	A	-0.4615
54	Q	A	-0.4143
55	Y	A	0.0000
56	F	A	0.0000
57	L	A	0.0000
58	R	A	-2.0123
59	R	A	-3.3671
60	G	A	-2.7942
61	D	A	-2.8753
62	Y	A	-1.9693
63	A	A	-1.6557
64	D	A	-1.8903
65	H	A	-1.6054
66	Q	A	-1.8392
67	Q	A	-1.9789
68	W	A	0.0000
69	M	A	-0.9703
70	G	A	-0.5816
71	L	A	0.5612
72	S	A	-0.7011
73	D	A	-1.9555
74	S	A	-1.6021
75	V	A	0.0000
76	R	A	-1.6943
77	S	A	0.0000
78	C	A	0.0000
79	R	A	-0.9991
80	L	A	-0.4453
81	I	A	0.0000
82	P	A	-0.5628
83	H	A	-1.4623
84	S	A	-1.3326
85	G	A	-1.1826
86	S	A	-1.4403
87	H	A	0.0000
88	R	A	-1.8764
89	I	A	0.0000
90	R	A	-0.7536
91	L	A	0.0000
92	Y	A	0.0000
93	E	A	-2.2152
94	R	A	-2.7313
95	E	A	-3.1340
96	D	A	-3.3887
97	Y	A	-2.4872
98	R	A	-3.1906
99	G	A	-2.2716
100	Q	A	-1.6173
101	M	A	-0.6097
102	I	A	-0.4967
103	E	A	-0.8643
104	F	A	0.0000
105	T	A	-1.7422
106	E	A	-2.0813
107	D	A	-1.1774
108	C	A	0.0000
109	S	A	-1.4033
110	C	A	-1.6592
111	L	A	0.0000
112	E	A	-3.7481
113	D	A	-3.8235
114	R	A	-3.5492
115	F	A	0.0000
116	R	A	-3.1952
117	F	A	-2.1771
118	N	A	-2.1804
119	E	A	-2.5130
120	I	A	0.0000
121	H	A	-2.3781
122	S	A	0.0000
123	L	A	0.0000
124	N	A	-1.4178
125	V	A	0.0000
126	L	A	-0.7706
127	E	A	-1.8439
128	G	A	0.0000
129	S	A	0.0000
130	W	A	0.0000
131	V	A	0.0000
132	L	A	0.0000
133	Y	A	0.0000
134	E	A	-1.1133
135	L	A	-0.4629
136	S	A	-0.9562
137	N	A	-1.0924
138	Y	A	-1.0249
139	R	A	-1.7333
140	G	A	-0.6040
141	R	A	-0.6372
142	Q	A	0.0000
143	Y	A	0.0000
144	L	A	0.1870
145	L	A	0.0000
146	M	A	-0.2069
147	P	A	-0.9618
148	G	A	-1.2342
149	D	A	-2.3819
150	Y	A	-2.4385
151	R	A	-3.1094
152	R	A	-3.2563
153	Y	A	-2.2038
154	Q	A	-2.2331
155	D	A	-2.7160
156	W	A	0.0000
157	G	A	-1.4817
158	A	A	0.0000
159	T	A	-0.9514
160	N	A	-1.5312
161	A	A	-1.8464
162	R	A	-2.1105
163	V	A	0.0000
164	G	A	0.0000
165	S	A	0.0000
166	L	A	0.0000
167	R	A	-0.7289
168	R	A	-1.0747
169	V	A	0.0000
170	I	A	-1.1464
171	D	A	-1.5809
172	F	A	0.5384
173	S	A	0.0189