Project name: 5cc3b5deedc9d29

Chain sequence(s)	A: HIYSTSTSNTGNLLSAIAGAVHTLEQAGKSRDEALREVLTRLSEKFPFPVSLDELIALVEGSLTPLPNGNLLITDADAARFAEVLGPERNKQAVDITKEALRIIIETAKKYKLDTVQFYVGTITDDELKQAIDDALKEAREVLPDAKIVIYISSDESLPYANELAKKYDAEVVDTKKLR
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:54)

• Minimal score value: -4.0503
• Maximal score value: 0.0
• Average score: -1.3125
• Total score value: -234.9288

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	H	A	-0.9205
2	I	A	0.0000
3	Y	A	0.0000
4	S	A	0.0000
5	T	A	-0.5546
6	S	A	0.0000
7	T	A	-0.8625
8	S	A	-0.8123
9	N	A	-1.0318
10	T	A	0.0000
11	G	A	0.0000
12	N	A	0.0000
13	L	A	0.0000
14	L	A	0.0000
15	S	A	0.0000
16	A	A	0.0000
17	I	A	0.0000
18	A	A	0.0000
19	G	A	0.0000
20	A	A	0.0000
21	V	A	0.0000
22	H	A	-1.2128
23	T	A	0.0000
24	L	A	0.0000
25	E	A	-2.6725
26	Q	A	-1.6462
27	A	A	-1.4715
28	G	A	-1.5947
29	K	A	-2.4092
30	S	A	-2.5308
31	R	A	-3.1384
32	D	A	-3.8078
33	E	A	-3.8591
34	A	A	0.0000
35	L	A	0.0000
36	R	A	-3.8311
37	E	A	-3.1162
38	V	A	0.0000
39	L	A	0.0000
40	T	A	-2.6154
41	R	A	-3.4429
42	L	A	0.0000
43	S	A	-2.1248
44	E	A	-3.3325
45	K	A	-3.0785
46	F	A	0.0000
47	P	A	-1.2984
48	F	A	-0.5293
49	P	A	-0.3479
50	V	A	-0.2781
51	S	A	-0.9155
52	L	A	-1.2444
53	D	A	-2.6057
54	E	A	-2.4311
55	L	A	0.0000
56	I	A	-1.8809
57	A	A	-1.6228
58	L	A	-1.1440
59	V	A	0.0000
60	E	A	-1.5599
61	G	A	-0.8910
62	S	A	0.0000
63	L	A	0.0000
64	T	A	-0.3023
65	P	A	-0.4722
66	L	A	-0.8259
67	P	A	-1.2274
68	N	A	-1.8935
69	G	A	-1.4491
70	N	A	-1.1859
71	L	A	-0.4330
72	L	A	-0.1356
73	I	A	0.0000
74	T	A	-0.9219
75	D	A	-2.1318
76	A	A	-1.4031
77	D	A	-1.6232
78	A	A	0.0000
79	A	A	-1.8626
80	R	A	-2.6884
81	F	A	0.0000
82	A	A	-1.8809
83	E	A	-2.5241
84	V	A	-1.3751
85	L	A	0.0000
86	G	A	-1.5962
87	P	A	-2.1780
88	E	A	-2.8851
89	R	A	-2.4429
90	N	A	-2.5493
91	K	A	-2.9892
92	Q	A	-2.2872
93	A	A	0.0000
94	V	A	-1.7276
95	D	A	-1.6777
96	I	A	0.0000
97	T	A	0.0000
98	K	A	-1.8885
99	E	A	-1.7571
100	A	A	0.0000
101	L	A	0.0000
102	R	A	-2.1994
103	I	A	0.0000
104	I	A	0.0000
105	I	A	0.0000
106	E	A	-3.0333
107	T	A	0.0000
108	A	A	0.0000
109	K	A	-3.1121
110	K	A	-3.0194
111	Y	A	-2.1013
112	K	A	-2.9243
113	L	A	-2.2126
114	D	A	-2.9626
115	T	A	-2.1370
116	V	A	0.0000
117	Q	A	0.0000
118	F	A	0.0000
119	Y	A	0.0000
120	V	A	0.0000
121	G	A	0.0000
122	T	A	0.0000
123	I	A	0.0000
124	T	A	-1.6398
125	D	A	-2.4937
126	D	A	-3.5113
127	E	A	-3.5529
128	L	A	0.0000
129	K	A	-2.7239
130	Q	A	-3.0234
131	A	A	0.0000
132	I	A	0.0000
133	D	A	-2.1869
134	D	A	-2.2444
135	A	A	0.0000
136	L	A	0.0000
137	K	A	-2.6105
138	E	A	-2.5723
139	A	A	0.0000
140	R	A	-2.5110
141	E	A	-2.5831
142	V	A	-1.5200
143	L	A	-2.3073
144	P	A	-1.9081
145	D	A	-2.7864
146	A	A	-3.0386
147	K	A	-3.2008
148	I	A	0.0000
149	V	A	0.0000
150	I	A	0.0000
151	Y	A	0.0000
152	I	A	0.0000
153	S	A	0.0000
154	S	A	-1.5625
155	D	A	-2.6560
156	E	A	-2.6042
157	S	A	0.0000
158	L	A	-1.1142
159	P	A	-1.2469
160	Y	A	-1.0664
161	A	A	0.0000
162	N	A	-2.3821
163	E	A	-3.1998
164	L	A	0.0000
165	A	A	-3.1824
166	K	A	-4.0503
167	K	A	-3.6965
168	Y	A	-3.2676
169	D	A	-3.7221
170	A	A	-2.9900
171	E	A	-2.5543
172	V	A	-0.6626
173	V	A	-0.1627
174	D	A	-0.7371
175	T	A	0.0000
176	K	A	-1.8969
177	K	A	-2.3452
178	L	A	-1.9861
179	R	A	-2.5966