Project name: CD58_54C_88C

Chain sequence(s)	A: FSQQIYGVVYGNVTFHVPSNVPLKECLWKKQKDKVAELENSEFRAFSSFKNRVYLDTVSCSLTIYNLTSSDEDEYEMESPNITDTMKFFLYVLESLPSPTLTCALTNGSIEVQCMIPEHYNSHRGLIMYSWDCPMEQCKRNSTSIYFKMENDLPQKIQCTLSNPLFNTTSSIILTTCIPSSGHSRHR
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                                          (00:01:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:53)

• Minimal score value: -3.6032
• Maximal score value: 1.3261
• Average score: -0.7661
• Total score value: -143.2625

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	F	A	1.3261
2	S	A	0.0964
3	Q	A	-0.7170
4	Q	A	-0.7498
5	I	A	-0.1356
6	Y	A	0.3745
7	G	A	0.0000
8	V	A	0.3232
9	V	A	0.2605
10	Y	A	0.6565
11	G	A	-0.2123
12	N	A	-0.9974
13	V	A	0.0000
14	T	A	-0.2594
15	F	A	0.0000
16	H	A	-1.1112
17	V	A	0.0000
18	P	A	-0.6486
19	S	A	-0.2927
20	N	A	-0.5689
21	V	A	0.5520
22	P	A	0.0585
23	L	A	0.0000
24	K	A	-2.3464
25	E	A	-2.5308
26	C	A	0.0000
27	L	A	-0.6184
28	W	A	0.0000
29	K	A	-2.3734
30	K	A	-2.6502
31	Q	A	-3.1811
32	K	A	-3.5963
33	D	A	-3.5265
34	K	A	-2.4646
35	V	A	0.0000
36	A	A	0.0000
37	E	A	0.0000
38	L	A	0.0000
39	E	A	-2.7293
40	N	A	-2.7825
41	S	A	-2.3468
42	E	A	-2.4201
43	F	A	-0.6671
44	R	A	-1.1307
45	A	A	-0.8670
46	F	A	-1.1498
47	S	A	-0.9602
48	S	A	-0.9580
49	F	A	0.0000
50	K	A	-2.3399
51	N	A	-2.0173
52	R	A	-1.2892
53	V	A	-0.3235
54	Y	A	0.9596
55	L	A	0.0000
56	D	A	0.3769
57	T	A	0.2070
58	V	A	1.1409
59	S	A	0.1795
60	C	A	0.0000
61	S	A	-0.1521
62	L	A	0.0000
63	T	A	0.0746
64	I	A	0.0000
65	Y	A	-0.3572
66	N	A	-0.9014
67	L	A	0.0000
68	T	A	-0.3070
69	S	A	-0.3702
70	S	A	-0.5232
71	D	A	0.0000
72	E	A	-0.7805
73	D	A	-1.0656
74	E	A	-1.6558
75	Y	A	0.0000
76	E	A	-1.5946
77	M	A	0.0000
78	E	A	-1.2824
79	S	A	-1.3583
80	P	A	-1.1899
81	N	A	-1.1399
82	I	A	-0.4449
83	T	A	-0.9747
84	D	A	-1.7423
85	T	A	-0.9811
86	M	A	-0.6395
87	K	A	-0.8737
88	F	A	0.0000
89	F	A	-0.4721
90	L	A	0.0000
91	Y	A	-0.1050
92	V	A	0.0000
93	L	A	0.0000
94	E	A	-0.7663
95	S	A	-0.4975
96	L	A	0.0000
97	P	A	-0.4267
98	S	A	-0.3961
99	P	A	0.0000
100	T	A	-0.0781
101	L	A	0.1509
102	T	A	0.0658
103	C	A	0.3933
104	A	A	0.2544
105	L	A	0.2334
106	T	A	-0.4987
107	N	A	-1.5275
108	G	A	-1.5089
109	S	A	0.0000
110	I	A	0.0000
111	E	A	-0.2754
112	V	A	0.0000
113	Q	A	-0.1896
114	C	A	0.0000
115	M	A	0.1339
116	I	A	-0.5215
117	P	A	-1.2157
118	E	A	-2.4570
119	H	A	-2.1787
120	Y	A	0.0000
121	N	A	-2.3282
122	S	A	-1.4078
123	H	A	-1.0494
124	R	A	-1.1148
125	G	A	-0.6604
126	L	A	0.1193
127	I	A	0.3642
128	M	A	0.6435
129	Y	A	-0.0585
130	S	A	-1.2927
131	W	A	0.0000
132	D	A	-2.4836
133	C	A	-1.8879
134	P	A	-1.2279
135	M	A	-1.5786
136	E	A	-2.6785
137	Q	A	-2.2026
138	C	A	0.0000
139	K	A	-3.6032
140	R	A	-3.2017
141	N	A	-2.1439
142	S	A	-1.2647
143	T	A	-0.3755
144	S	A	-0.4047
145	I	A	0.0000
146	Y	A	0.3810
147	F	A	0.0000
148	K	A	-2.4498
149	M	A	-1.8596
150	E	A	-3.1102
151	N	A	-3.2092
152	D	A	-2.8748
153	L	A	-1.6644
154	P	A	-1.2681
155	Q	A	-1.6818
156	K	A	-1.8272
157	I	A	0.0000
158	Q	A	-1.3257
159	C	A	0.0000
160	T	A	-0.8039
161	L	A	0.0000
162	S	A	0.1223
163	N	A	0.0000
164	P	A	0.5445
165	L	A	0.7708
166	F	A	0.1876
167	N	A	-0.7911
168	T	A	-0.6609
169	T	A	-0.7576
170	S	A	-0.2367
171	S	A	-0.5754
172	I	A	-0.0452
173	I	A	0.0187
174	L	A	0.0000
175	T	A	-0.0814
176	T	A	0.2523
177	C	A	0.0000
178	I	A	0.6836
179	P	A	-0.0925
180	S	A	-0.5527
181	S	A	-0.8118
182	G	A	-1.4579
183	H	A	-2.1142
184	S	A	-2.2860
185	R	A	-3.3497
186	H	A	-3.0049
187	R	A	-2.8998