Project name: 7c5c110a19c1f7

Chain sequence(s)	A: GKITLYEDRGFQGRHYECSSDHPNLQPYLSRCNSARVDSGCWMLYEQPNYSGLEYFLRRGDYADHQQWMGLSDSVRSCRLIPHSGSHRIRLYEREDYRGQMIEFTEDCSCLQDRFRFNEIHSLNVLEGSWVLYELSNYRGRQYLLMPGDYRRYQDWGATNARVGSLRRVIDFS
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                                          (00:02:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:10)

• Minimal score value: -4.4709
• Maximal score value: 0.752
• Average score: -1.1432
• Total score value: -197.7709

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	-1.2814
2	K	A	-1.9584
3	I	A	0.0000
4	T	A	0.0000
5	L	A	0.0000
6	Y	A	-2.1101
7	E	A	0.0000
8	D	A	-2.8335
9	R	A	-2.6443
10	G	A	-1.8033
11	F	A	-1.8656
12	Q	A	-2.6394
13	G	A	-2.7053
14	R	A	-2.7172
15	H	A	-2.0789
16	Y	A	-0.7235
17	E	A	-1.3679
18	C	A	0.0000
19	S	A	-1.4390
20	S	A	-1.3874
21	D	A	-2.0850
22	H	A	-1.6828
23	P	A	-1.9724
24	N	A	-2.1255
25	L	A	0.0000
26	Q	A	-1.1001
27	P	A	-0.2883
28	Y	A	0.1655
29	L	A	0.0000
30	S	A	-1.0007
31	R	A	-1.8545
32	C	A	0.0000
33	N	A	-2.0083
34	S	A	0.0000
35	A	A	0.0000
36	R	A	-2.5533
37	V	A	0.0000
38	D	A	-2.9156
39	S	A	-1.6053
40	G	A	-0.9748
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	-1.2139
47	Q	A	-1.8860
48	P	A	-1.8294
49	N	A	-1.9676
50	Y	A	-1.0381
51	S	A	-1.0016
52	G	A	-1.0128
53	L	A	-0.3497
54	E	A	-0.5484
55	Y	A	0.0000
56	F	A	0.0000
57	L	A	0.0000
58	R	A	-1.1529
59	R	A	-1.9645
60	G	A	-1.9431
61	D	A	-2.7414
62	Y	A	-1.9308
63	A	A	-1.8671
64	D	A	0.0000
65	H	A	-1.4337
66	Q	A	-1.4362
67	Q	A	-1.9558
68	W	A	0.0000
69	M	A	-0.7234
70	G	A	0.0000
71	L	A	0.7520
72	S	A	-0.5213
73	D	A	-1.8340
74	S	A	0.0000
75	V	A	0.0000
76	R	A	-1.6427
77	S	A	0.0000
78	C	A	0.0000
79	R	A	-1.2500
80	L	A	-0.8567
81	I	A	0.0000
82	P	A	-0.6358
83	H	A	-1.1493
84	S	A	-1.0961
85	G	A	-1.1153
86	S	A	-1.1707
87	H	A	0.0000
88	R	A	-2.4700
89	I	A	0.0000
90	R	A	-1.2623
91	L	A	0.0000
92	Y	A	0.0000
93	E	A	-2.6083
94	R	A	-4.0489
95	E	A	-3.8897
96	D	A	-3.4613
97	Y	A	-2.7408
98	R	A	-3.3807
99	G	A	-2.4274
100	Q	A	-1.8492
101	M	A	-0.9679
102	I	A	-0.9036
103	E	A	-2.2536
104	F	A	0.0000
105	T	A	-2.1458
106	E	A	-2.8690
107	D	A	-2.2545
108	C	A	0.0000
109	S	A	-1.2720
110	C	A	-0.9921
111	L	A	0.0000
112	Q	A	-2.2590
113	D	A	-2.8461
114	R	A	-2.4942
115	F	A	0.0000
116	R	A	-2.7772
117	F	A	-1.9268
118	N	A	-2.1577
119	E	A	-2.3682
120	I	A	0.0000
121	H	A	-3.1754
122	S	A	0.0000
123	L	A	0.0000
124	N	A	-1.7165
125	V	A	0.0000
126	L	A	-0.9992
127	E	A	-1.5888
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	-1.1446
135	L	A	-0.4975
136	S	A	-0.8342
137	N	A	-1.5035
138	Y	A	-1.2062
139	R	A	-1.9140
140	G	A	-1.0157
141	R	A	-0.9421
142	Q	A	0.0000
143	Y	A	0.0000
144	L	A	0.0000
145	L	A	0.0000
146	M	A	-0.3481
147	P	A	-0.9264
148	G	A	-1.1677
149	D	A	-2.6158
150	Y	A	-2.7915
151	R	A	-4.4709
152	R	A	-4.3324
153	Y	A	-2.7975
154	Q	A	-2.7035
155	D	A	-2.9096
156	W	A	0.0000
157	G	A	-1.5368
158	A	A	0.0000
159	T	A	-0.6969
160	N	A	-1.1005
161	A	A	0.0000
162	R	A	-1.9565
163	V	A	0.0000
164	G	A	0.0000
165	S	A	0.0000
166	L	A	0.0000
167	R	A	-1.3236
168	R	A	-1.4749
169	V	A	0.0000
170	I	A	-0.0197
171	D	A	-0.1120
172	F	A	0.5905
173	S	A	0.1595