Project name: b05ada69e1e417a

Chain sequence(s)	A: SAAQLPKAWDWRNISGVNYASTTRNQHIPQYCGSCWAMGSTSAMADRINIKRKAAWPSAYLSAQEVIDCGGAGSCDGGDDGAVWAYANKAGIPDETCNNYQAKNQDCQEFNKCGTCTTFGECKQLSTYNVWKVGDYGSVKGRTNMMAEIYKNGPISCSIMATDKLEAYTGGIFAE
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                                          (00:01:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:43)

• Minimal score value: -3.0278
• Maximal score value: 2.6038
• Average score: -0.7264
• Total score value: -127.1163

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
12	S	A	-0.6105
13	A	A	-0.8118
14	A	A	-0.6712
15	Q	A	-1.2862
16	L	A	-0.7542
17	P	A	-0.7802
18	K	A	-1.6438
19	A	A	-0.6077
20	W	A	-0.3562
21	D	A	-1.3718
22	W	A	-1.4584
23	R	A	-2.9666
24	N	A	-2.5379
25	I	A	-1.0805
26	S	A	-0.7753
27	G	A	-1.1149
28	V	A	-1.0853
29	N	A	-2.2307
30	Y	A	-1.6847
31	A	A	-1.1776
32	S	A	-0.5325
33	T	A	-0.2997
34	T	A	-0.6123
35	R	A	-1.0755
36	N	A	-0.9792
37	Q	A	-0.5100
38	H	A	-0.0753
39	I	A	0.8856
40	P	A	0.1202
41	Q	A	-0.2368
42	Y	A	0.5076
43	C	A	0.0000
44	G	A	-0.5522
45	S	A	0.0000
46	C	A	-0.2186
47	W	A	0.0000
48	A	A	0.0000
49	M	A	0.0000
50	G	A	-0.0633
51	S	A	0.0000
52	T	A	0.0000
53	S	A	-0.1814
54	A	A	0.0000
55	M	A	0.0000
56	A	A	0.0000
57	D	A	-0.8144
58	R	A	-0.9724
59	I	A	0.0000
60	N	A	0.0000
61	I	A	-1.5309
62	K	A	-2.4890
63	R	A	-1.9369
64	K	A	-2.1266
65	A	A	-1.0527
66	A	A	-0.3040
67	W	A	0.7652
68	P	A	0.4870
69	S	A	0.1847
70	A	A	0.0000
71	Y	A	0.2534
72	L	A	0.0000
73	S	A	0.0000
74	A	A	0.0000
75	Q	A	0.0000
76	E	A	0.0000
77	V	A	0.0000
78	I	A	0.0000
79	D	A	-1.4476
80	C	A	-0.9818
81	G	A	-0.3755
82	G	A	-0.7453
83	A	A	0.0000
84	G	A	-1.6391
85	S	A	-1.6230
86	C	A	-1.3393
87	D	A	-2.0296
88	G	A	-1.5800
89	G	A	-1.8941
90	D	A	-2.3405
91	D	A	-1.4080
92	G	A	-0.9132
93	A	A	-0.9960
94	V	A	0.0000
95	W	A	-0.8740
96	A	A	-0.9039
97	Y	A	-0.8100
98	A	A	0.0000
99	N	A	-1.7274
100	K	A	-2.0829
101	A	A	-0.9350
102	G	A	0.0000
103	I	A	0.0000
104	P	A	0.0000
105	D	A	-0.6785
106	E	A	-0.7184
107	T	A	-0.6490
108	C	A	0.0000
109	N	A	0.0000
110	N	A	-1.4998
111	Y	A	-0.8355
112	Q	A	-1.1028
113	A	A	0.0000
114	K	A	-1.6361
115	N	A	-2.3217
116	Q	A	-2.0467
117	D	A	-2.5737
118	C	A	-1.7865
119	Q	A	-2.5426
120	E	A	-2.8887
121	F	A	-1.5155
122	N	A	-1.7728
123	K	A	-1.6220
124	C	A	0.0000
125	G	A	-1.1120
126	T	A	-0.3852
127	C	A	0.0486
128	T	A	-0.0771
129	T	A	0.4150
130	F	A	1.3443
131	G	A	-0.2733
132	E	A	-1.2385
133	C	A	-0.6688
134	K	A	-2.1211
135	Q	A	-2.0554
136	L	A	-0.7596
137	S	A	-0.7026
138	T	A	-0.1902
139	Y	A	-0.2087
140	N	A	-0.9426
141	V	A	-0.0698
142	W	A	-0.4361
143	K	A	-1.7861
144	V	A	-1.3159
145	G	A	-1.6901
146	D	A	-1.7272
147	Y	A	-0.5334
148	G	A	-0.3926
149	S	A	-0.0904
150	V	A	-0.3756
151	K	A	-1.9072
152	G	A	-2.0319
153	R	A	-2.4463
154	T	A	-1.5459
155	N	A	-1.6965
156	M	A	-0.9282
157	M	A	-0.6879
158	A	A	-1.0103
159	E	A	-0.6846
160	I	A	-0.1263
161	Y	A	-0.2640
162	K	A	-1.5913
163	N	A	-1.3449
164	G	A	0.0000
165	P	A	-0.0354
166	I	A	0.5000
167	S	A	0.5669
168	C	A	0.9111
169	S	A	0.9418
170	I	A	2.6038
171	M	A	2.0645
172	A	A	0.1623
173	T	A	-1.3873
174	D	A	-3.0278
175	K	A	-2.9223
176	L	A	-1.5580
177	E	A	-2.5608
178	A	A	-1.3856
179	Y	A	-0.0755
180	T	A	-0.0564
181	G	A	0.1485
182	G	A	0.7214
183	I	A	2.3299
184	F	A	1.5206
185	A	A	0.0039
186	E	A	-1.7702