Project name: 900d9fd9f967201

Chain sequence(s)	A: GKITLYEDRGFQGRYECSSDPNLQPYLSRCNARVDSGCWMLYEQPNYSGLQYFLRRGDYADQQWMGLSDSVRSCRLIPSGSRIRLYEREDYRGQMIEFTEDCSCLQDRFRFNEISLNVLEGSWVLYELSNYRGRQYLLMPGDYRRYQDWGATNARVGSLRRVIDFS
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: -3.9537
• Maximal score value: 1.4918
• Average score: -1.2373
• Total score value: -205.3888

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	-1.2967
2	K	A	-2.0470
3	I	A	0.0000
4	T	A	-1.3935
5	L	A	0.0000
6	Y	A	-1.9585
7	E	A	-2.9888
8	D	A	-3.9537
9	R	A	-3.0423
10	G	A	-1.3403
11	F	A	-0.5034
12	Q	A	-2.3892
13	G	A	-2.8441
14	R	A	-2.4863
16	Y	A	-0.3278
17	E	A	-1.7024
18	C	A	0.0000
19	S	A	-1.5188
20	S	A	-1.3097
21	D	A	-1.6628
23	P	A	-1.8919
24	N	A	-2.2680
25	L	A	0.0000
26	Q	A	-1.5506
27	P	A	-0.5707
28	Y	A	-0.4275
29	L	A	0.0000
30	S	A	-1.9764
31	R	A	-2.9130
32	C	A	0.0000
33	N	A	-2.6453
35	A	A	0.0000
36	R	A	-2.5125
37	V	A	0.0000
38	D	A	-3.0296
39	S	A	-1.6532
40	G	A	-0.7552
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	-1.5241
47	Q	A	-2.0390
48	P	A	-1.9710
49	N	A	-1.9028
50	Y	A	-1.1400
51	S	A	-0.9779
52	G	A	-0.9333
53	L	A	-0.3096
54	Q	A	-0.4735
55	Y	A	0.0000
56	F	A	0.1234
57	L	A	0.0000
58	R	A	-0.8482
59	R	A	-1.9669
60	G	A	-2.0000
61	D	A	-2.8498
62	Y	A	-2.0487
63	A	A	-1.9417
64	D	A	-2.2160
66	Q	A	-1.6530
67	Q	A	-2.0161
68	W	A	0.0000
69	M	A	-0.6481
70	G	A	-0.2193
71	L	A	1.2020
72	S	A	-0.1883
73	D	A	-1.5880
74	S	A	-1.4002
75	V	A	0.0000
76	R	A	-2.1410
77	S	A	0.0000
78	C	A	0.0000
79	R	A	-0.8891
80	L	A	-0.6810
81	I	A	0.0000
82	P	A	-0.2571
84	S	A	-0.5910
85	G	A	-0.5973
86	S	A	-1.2485
88	R	A	-2.4595
89	I	A	0.0000
90	R	A	-1.4242
91	L	A	0.0000
92	Y	A	-2.2527
93	E	A	-2.5024
94	R	A	-3.6051
95	E	A	-3.4060
96	D	A	-3.7837
97	Y	A	-2.9887
98	R	A	-3.4802
99	G	A	-2.5352
100	Q	A	-1.9454
101	M	A	-1.2457
102	I	A	-1.3463
103	E	A	-2.4793
104	F	A	0.0000
105	T	A	-2.2400
106	E	A	-2.7744
107	D	A	-1.7342
108	C	A	0.0000
109	S	A	-1.4970
110	C	A	-1.2118
111	L	A	0.0000
112	Q	A	-3.2183
113	D	A	-3.4445
114	R	A	-3.4659
115	F	A	0.0000
116	R	A	-3.1312
117	F	A	-2.1681
118	N	A	-1.8371
119	E	A	-2.9158
120	I	A	0.0000
122	S	A	0.0000
123	L	A	0.0000
124	N	A	-1.5376
125	V	A	0.0000
126	L	A	-1.0831
127	E	A	-1.4398
128	G	A	-0.9419
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	0.0000
135	L	A	-0.7593
136	S	A	-0.9539
137	N	A	-1.6654
138	Y	A	-1.4824
139	R	A	-2.1998
140	G	A	-1.4032
141	R	A	-1.5233
142	Q	A	0.0000
143	Y	A	0.0000
144	L	A	0.0000
145	L	A	0.0000
146	M	A	-0.3335
147	P	A	-0.9427
148	G	A	-1.2520
149	D	A	-2.6844
150	Y	A	-2.6847
151	R	A	-3.7794
152	R	A	-3.8136
153	Y	A	-2.6844
154	Q	A	-2.8991
155	D	A	-3.2894
156	W	A	0.0000
157	G	A	-1.6655
158	A	A	0.0000
159	T	A	-1.3036
160	N	A	-2.0774
161	A	A	-2.2884
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	-1.1708
168	R	A	-1.0554
169	V	A	0.0000
170	I	A	1.1441
171	D	A	0.3432
172	F	A	1.4918
173	S	A	0.6436