Project name: 151abd5f20d4b84

Chain sequence(s)	A: GKITLYEDRGFQGRYECSSDPNLQPYLSRCNSARVDGCWMLYEQPNYSGLQYFLRRGDYADQQWMGLSDSVRSCRLIPSGSRIRLYEREDYRGQMIEFTEDCSCLQDRFRFNEISLNVLEGSWVLYELSNYRGRQYLLMPGDYRRYQDWGATNARVGSLRRVIDFS
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                                          (00:02:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:02)

• Minimal score value: -4.4417
• Maximal score value: 0.9816
• Average score: -1.2782
• Total score value: -212.1764

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	-1.6756
2	K	A	-2.5994
3	I	A	0.0000
4	T	A	-1.5216
5	L	A	0.0000
6	Y	A	-1.6607
7	E	A	-1.8829
8	D	A	-2.5846
9	R	A	-2.6065
10	G	A	-1.5157
11	F	A	-1.3297
12	Q	A	-2.3987
13	G	A	-2.2716
14	R	A	-2.1564
16	Y	A	-0.4678
17	E	A	-1.7595
18	C	A	-1.5542
19	S	A	-1.9204
20	S	A	-1.6589
21	D	A	-2.2446
23	P	A	-2.0335
24	N	A	-2.1853
25	L	A	0.0000
26	Q	A	-1.4454
27	P	A	-0.5855
28	Y	A	-0.2632
29	L	A	0.0000
30	S	A	-1.1231
31	R	A	-1.3682
32	C	A	0.0000
33	N	A	-1.7833
34	S	A	0.0000
35	A	A	0.0000
36	R	A	-2.4242
37	V	A	0.0000
38	D	A	-3.0346
40	G	A	-1.3794
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	-1.3095
47	Q	A	-1.7821
48	P	A	-1.8565
49	N	A	-1.9969
50	Y	A	-1.2496
51	S	A	-1.1171
52	G	A	-1.0460
53	L	A	-0.4453
54	Q	A	-0.3971
55	Y	A	0.0000
56	F	A	0.0603
57	L	A	0.0000
58	R	A	-1.3070
59	R	A	-2.1154
60	G	A	-1.8643
61	D	A	-2.7366
62	Y	A	-1.8299
63	A	A	-1.7034
64	D	A	-1.8453
66	Q	A	-1.4108
67	Q	A	-1.7097
68	W	A	0.0000
69	M	A	-0.5168
70	G	A	-0.1403
71	L	A	0.9816
72	S	A	-0.2101
73	D	A	-1.1579
74	S	A	-0.9923
75	V	A	0.0000
76	R	A	-1.9616
77	S	A	0.0000
78	C	A	0.0000
79	R	A	-1.4220
80	L	A	-0.9577
81	I	A	0.0000
82	P	A	-0.2342
84	S	A	-1.0161
85	G	A	-0.8107
86	S	A	-1.4833
88	R	A	-2.7555
89	I	A	0.0000
90	R	A	-1.2496
91	L	A	0.0000
92	Y	A	-2.1020
93	E	A	-2.6620
94	R	A	-4.1566
95	E	A	-3.8002
96	D	A	-3.2474
97	Y	A	-2.7139
98	R	A	-3.4572
99	G	A	-2.5341
100	Q	A	-1.6908
101	M	A	-0.7177
102	I	A	-0.4131
103	E	A	-0.9250
104	F	A	0.0000
105	T	A	-2.2687
106	E	A	-2.7653
107	D	A	-1.9610
108	C	A	-1.6255
109	S	A	-1.1311
110	C	A	-1.1931
111	L	A	0.0000
112	Q	A	-3.2039
113	D	A	-3.3625
114	R	A	-3.2418
115	F	A	0.0000
116	R	A	-3.0329
117	F	A	-1.7856
118	N	A	-2.5450
119	E	A	-3.1596
120	I	A	0.0000
122	S	A	0.0000
123	L	A	0.0000
124	N	A	-1.9231
125	V	A	0.0000
126	L	A	-1.4318
127	E	A	-2.4347
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	-1.5984
135	L	A	-0.8282
136	S	A	-0.9479
137	N	A	-1.6210
138	Y	A	-1.3976
139	R	A	-2.2441
140	G	A	-1.5292
141	R	A	-1.5571
142	Q	A	0.0000
143	Y	A	0.0000
144	L	A	0.0000
145	L	A	0.0000
146	M	A	-0.4445
147	P	A	-1.2189
148	G	A	-1.3804
149	D	A	-2.8245
150	Y	A	-3.0497
151	R	A	-4.4417
152	R	A	-4.3222
153	Y	A	-3.0926
154	Q	A	-3.0851
155	D	A	-3.5122
156	W	A	0.0000
157	G	A	-1.7711
158	A	A	0.0000
159	T	A	-1.3601
160	N	A	-2.0755
161	A	A	-2.2292
162	R	A	-2.2681
163	V	A	0.0000
164	G	A	-1.4236
165	S	A	0.0000
166	L	A	0.0000
167	R	A	-1.3350
168	R	A	-1.4619
169	V	A	0.0000
170	I	A	-0.0128
171	D	A	-0.9833
172	F	A	0.3881
173	S	A	-0.0398