Project name: a442d6a4f7eedf3

Chain sequence(s)	A: GKITLYEDRGFQGRYECSSDPNLQPYLSRCNSARVDSGCWMLYEQPNYSGLQYFLRRGDYADQQWMGLSDSVRSCRLIPSGSRIRLYEREDYRGQMIEFTEDCSCLQDRFRFNEISLNVLEGSWVLELSNYRGRQYLLMPGDYRRYQDWGATNARVGSLRRVIDFS
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                                          (00:01:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:54)

• Minimal score value: -3.6279
• Maximal score value: 0.9157
• Average score: -1.1525
• Total score value: -191.3095

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	-1.5895
2	K	A	-2.6877
3	I	A	0.0000
4	T	A	-1.4833
5	L	A	0.0000
6	Y	A	-1.5150
7	E	A	0.0000
8	D	A	-2.7187
9	R	A	-2.8165
10	G	A	-1.7365
11	F	A	-1.4617
12	Q	A	-2.3734
13	G	A	-2.3708
14	R	A	-2.2239
16	Y	A	-0.6687
17	E	A	-1.8703
18	C	A	0.0000
19	S	A	-1.5798
20	S	A	-1.5981
21	D	A	-2.0861
23	P	A	-1.8040
24	N	A	-1.8606
25	L	A	0.0000
26	Q	A	-1.5098
27	P	A	-0.6370
28	Y	A	-0.4030
29	L	A	0.0000
30	S	A	-1.1118
31	R	A	-1.5318
32	C	A	0.0000
33	N	A	0.0000
34	S	A	0.0000
35	A	A	0.0000
36	R	A	-2.2091
37	V	A	0.0000
38	D	A	-3.1132
39	S	A	-2.1579
40	G	A	-1.2942
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	-1.4002
47	Q	A	-1.8363
48	P	A	-1.7562
49	N	A	-1.8570
50	Y	A	-1.2128
51	S	A	-1.1105
52	G	A	-1.0590
53	L	A	-0.3903
54	Q	A	-0.3898
55	Y	A	0.0000
56	F	A	0.2145
57	L	A	0.0000
58	R	A	-1.0037
59	R	A	-2.0573
60	G	A	-1.5179
61	D	A	-2.0136
62	Y	A	-1.5405
63	A	A	-1.8101
64	D	A	-2.3736
66	Q	A	-1.4716
67	Q	A	-1.6476
68	W	A	0.0000
69	M	A	0.0323
70	G	A	0.0000
71	L	A	0.9157
72	S	A	-0.3546
73	D	A	-1.7108
74	S	A	-1.0279
75	V	A	0.0000
76	R	A	-1.7728
77	S	A	0.0000
78	C	A	0.0000
79	R	A	-1.1892
80	L	A	-0.6464
81	I	A	0.0000
82	P	A	-0.1881
84	S	A	-0.7720
85	G	A	-0.9066
86	S	A	-1.2893
88	R	A	-1.7717
89	I	A	0.0000
90	R	A	-0.9036
91	L	A	0.0000
92	Y	A	-1.6992
93	E	A	-2.0364
94	R	A	-2.8434
95	E	A	-2.6302
96	D	A	-2.7817
97	Y	A	-2.3512
98	R	A	-2.9719
99	G	A	-2.2101
100	Q	A	-1.7464
101	M	A	-0.7589
102	I	A	-0.4311
103	E	A	-0.7489
104	F	A	0.0000
105	T	A	-1.8120
106	E	A	-2.5303
107	D	A	-1.7133
108	C	A	0.0000
109	S	A	-1.2387
110	C	A	-1.1838
111	L	A	0.0000
112	Q	A	-2.8638
113	D	A	-3.3691
114	R	A	-3.1737
115	F	A	-2.3872
116	R	A	-2.8332
117	F	A	-1.9171
118	N	A	-1.7044
119	E	A	-2.3387
120	I	A	0.0000
122	S	A	0.0000
123	L	A	0.0000
124	N	A	-1.6838
125	V	A	0.0000
126	L	A	-1.0868
127	E	A	-1.8247
128	G	A	-1.1926
129	S	A	0.0000
130	W	A	0.0000
131	V	A	0.0000
132	L	A	0.0000
134	E	A	-1.4885
135	L	A	-0.9202
136	S	A	-0.9899
137	N	A	-1.4696
138	Y	A	-1.0893
139	R	A	-2.1241
140	G	A	-1.3279
141	R	A	-1.3069
142	Q	A	-0.7229
143	Y	A	0.0000
144	L	A	0.0818
145	L	A	0.0000
146	M	A	-0.3925
147	P	A	-1.0406
148	G	A	-1.2849
149	D	A	-2.6622
150	Y	A	-2.5698
151	R	A	-3.6279
152	R	A	-3.3212
153	Y	A	-2.4004
154	Q	A	-2.6394
155	D	A	-3.1129
156	W	A	-1.6910
157	G	A	-1.5547
158	A	A	0.0000
159	T	A	-0.9584
160	N	A	-1.6048
161	A	A	-1.8157
162	R	A	-1.9904
163	V	A	0.0000
164	G	A	0.0000
165	S	A	0.0000
166	L	A	0.0000
167	R	A	-1.0806
168	R	A	-1.2858
169	V	A	-0.0962
170	I	A	0.0271
171	D	A	-0.8351
172	F	A	0.8562
173	S	A	-0.5773