Project name: 77b39c6573903d8

Chain sequence(s)	A: GKITLYEDRGFQGRYECSSDPNLQPYLSRCNSARVDSGCWMLYEQPNYSGLQYFLRRGDADQQWMGLSDSVRSCRLIPSGSRIRLYEREDYRGQMIEFTEDCSCLQDRFRFNEISLNVLEGSWVLYELSNYRGRQYLLMPGDYRRYQDWGATNARVGSLRRVIDFS
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                                          (00:01:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:34)

• Minimal score value: -4.0845
• Maximal score value: 0.9005
• Average score: -1.1745
• Total score value: -194.9692

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	-1.5954
2	K	A	-2.4015
3	I	A	0.0000
4	T	A	-1.3557
5	L	A	0.0000
6	Y	A	-1.8606
7	E	A	-2.5023
8	D	A	-3.1236
9	R	A	-3.0117
10	G	A	-1.8292
11	F	A	-1.8469
12	Q	A	-2.6852
13	G	A	-2.5769
14	R	A	-2.3550
16	Y	A	-0.2331
17	E	A	-1.6614
18	C	A	-1.4913
19	S	A	-1.7590
20	S	A	-1.6720
21	D	A	-2.2115
23	P	A	-1.7661
24	N	A	-1.6584
25	L	A	0.0000
26	Q	A	-1.2856
27	P	A	-0.4561
28	Y	A	0.5103
29	L	A	0.0000
30	S	A	-0.9670
31	R	A	-1.8830
32	C	A	0.0000
33	N	A	-2.3654
34	S	A	0.0000
35	A	A	0.0000
36	R	A	-2.6824
37	V	A	0.0000
38	D	A	-3.4382
39	S	A	-2.6128
40	G	A	-1.7835
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	-1.0533
47	Q	A	-1.3965
48	P	A	-1.5994
49	N	A	-1.7907
50	Y	A	-0.9333
51	S	A	-0.9742
52	G	A	-0.7626
53	L	A	0.0105
54	Q	A	-0.0037
55	Y	A	0.0000
56	F	A	0.1336
57	L	A	0.0000
58	R	A	-2.1113
59	R	A	-3.5334
60	G	A	-2.8511
61	D	A	-3.0931
63	A	A	-1.8640
64	D	A	-1.9814
66	Q	A	-1.8035
67	Q	A	-1.8774
68	W	A	-0.7335
69	M	A	-0.1985
70	G	A	-0.3669
71	L	A	0.9005
72	S	A	-0.4474
73	D	A	-2.0801
74	S	A	0.0000
75	V	A	0.0000
76	R	A	-1.6910
77	S	A	0.0000
78	C	A	0.0000
79	R	A	-1.3738
80	L	A	-0.8927
81	I	A	0.0000
82	P	A	-0.2728
84	S	A	-0.8551
85	G	A	-0.7039
86	S	A	-0.9383
88	R	A	-1.6435
89	I	A	0.0000
90	R	A	-0.9933
91	L	A	0.0000
92	Y	A	0.0000
93	E	A	-2.4677
94	R	A	-3.7837
95	E	A	-4.0845
96	D	A	-3.6935
97	Y	A	-2.8074
98	R	A	-3.3874
99	G	A	-2.4292
100	Q	A	-1.4185
101	M	A	-0.6881
102	I	A	-0.6947
103	E	A	-1.3021
104	F	A	0.0000
105	T	A	-1.9365
106	E	A	-3.0946
107	D	A	-3.0202
108	C	A	0.0000
109	S	A	-1.3710
110	C	A	-1.2583
111	L	A	0.0000
112	Q	A	-2.2293
113	D	A	-3.0340
114	R	A	-3.0655
115	F	A	0.0000
116	R	A	-2.6219
117	F	A	-1.5206
118	N	A	-1.8737
119	E	A	-2.7785
120	I	A	0.0000
122	S	A	0.0000
123	L	A	0.0000
124	N	A	-1.1552
125	V	A	0.0000
126	L	A	-0.0900
127	E	A	-0.6444
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	-1.4574
135	L	A	-0.8909
136	S	A	-0.9069
137	N	A	-1.6740
138	Y	A	-1.3847
139	R	A	-2.1318
140	G	A	-1.4997
141	R	A	-1.4239
142	Q	A	0.0000
143	Y	A	-0.0678
144	L	A	0.1883
145	L	A	0.0000
146	M	A	0.0078
147	P	A	-0.4634
148	G	A	-0.9772
149	D	A	-2.2777
150	Y	A	-2.2667
151	R	A	-3.2703
152	R	A	-3.4106
153	Y	A	-2.1795
154	Q	A	-2.2104
155	D	A	-2.1264
156	W	A	0.0000
157	G	A	-1.2940
158	A	A	0.0000
159	T	A	-0.8937
160	N	A	-1.4800
161	A	A	-1.8868
162	R	A	-1.9731
163	V	A	0.0000
164	G	A	0.0000
165	S	A	0.0000
166	L	A	0.0000
167	R	A	-1.7633
168	R	A	-1.7360
169	V	A	0.0000
170	I	A	-0.5845
171	D	A	-1.2083
172	F	A	0.7290
173	S	A	0.3308