Project name: CD58_M1

Chain sequence(s)	A: FSQQIYGVVYGNVTFHVPSNVPLKEVLWKKQKDKVVEFENSEVRAFSSFKNRVYLDTVSGSLTIYNLTSSDEDEYEMESPNITDTFKFFLYVLESLPSPTLTCALTNGSIEVQCMIPEHYNSHRGLIMYSWDCPMEQCKRNSTSIYFKMENDLPQKIQCTLSNPLFNTTSSIILTTCIPSSGHSRHR
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                                          (00:02:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:26)

• Minimal score value: -3.6467
• Maximal score value: 1.4916
• Average score: -0.8186
• Total score value: -153.0821

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	1.4916
2	S	A	0.0226
3	Q	A	-0.7052
4	Q	A	-0.8297
5	I	A	-0.1586
6	Y	A	0.3400
7	G	A	0.0000
8	V	A	0.3644
9	V	A	0.2394
10	Y	A	0.6580
11	G	A	-0.1708
12	N	A	-0.8930
13	V	A	-0.4090
14	T	A	-0.1554
15	F	A	0.0000
16	H	A	-1.0562
17	V	A	0.0000
18	P	A	-0.5214
19	S	A	-0.3685
20	N	A	-0.7497
21	V	A	0.1293
22	P	A	-0.0865
23	L	A	0.0000
24	K	A	-2.6710
25	E	A	-3.0518
26	V	A	0.0000
27	L	A	-1.0069
28	W	A	0.0000
29	K	A	-2.6476
30	K	A	-2.8537
31	Q	A	-3.3058
32	K	A	-3.6467
33	D	A	-3.5766
34	K	A	-2.6081
35	V	A	0.0000
36	V	A	0.0000
37	E	A	-1.3994
38	F	A	-2.0372
39	E	A	-3.2816
40	N	A	-2.9275
41	S	A	-2.3143
42	E	A	-2.7642
43	V	A	-1.1797
44	R	A	-2.2025
45	A	A	-1.3144
46	F	A	-1.3458
47	S	A	-1.0306
48	S	A	-0.9543
49	F	A	0.0000
50	K	A	-2.4640
51	N	A	-2.0039
52	R	A	-1.2431
53	V	A	-0.0634
54	Y	A	1.0787
55	L	A	0.0000
56	D	A	0.4666
57	T	A	0.3900
58	V	A	1.2314
59	S	A	0.2615
60	G	A	0.0000
61	S	A	0.0000
62	L	A	0.0000
63	T	A	0.1926
64	I	A	0.0000
65	Y	A	-0.2215
66	N	A	-0.8774
67	L	A	0.0000
68	T	A	-0.2887
69	S	A	-0.3430
70	S	A	-0.5180
71	D	A	0.0000
72	E	A	-0.7252
73	D	A	-1.0304
74	E	A	-1.7731
75	Y	A	0.0000
76	E	A	-1.8759
77	M	A	0.0000
78	E	A	-1.7329
79	S	A	-1.6464
80	P	A	-1.3673
81	N	A	-1.3054
82	I	A	-0.6153
83	T	A	-1.0429
84	D	A	-2.0145
85	T	A	-1.0673
86	F	A	-0.7997
87	K	A	-1.2775
88	F	A	0.0000
89	F	A	-0.6636
90	L	A	0.0000
91	Y	A	-0.1009
92	V	A	0.0000
93	L	A	0.0000
94	E	A	-0.7159
95	S	A	-0.4850
96	L	A	0.0000
97	P	A	-0.4643
98	S	A	-0.4539
99	P	A	0.0000
100	T	A	-0.2028
101	L	A	0.0653
102	T	A	0.0022
103	C	A	0.3739
104	A	A	0.1927
105	L	A	0.2421
106	T	A	-0.4653
107	N	A	-1.4656
108	G	A	-1.3363
109	S	A	0.0000
110	I	A	0.0000
111	E	A	-0.2772
112	V	A	0.0000
113	Q	A	-0.2450
114	C	A	0.0000
115	M	A	-0.0473
116	I	A	0.0000
117	P	A	-1.3308
118	E	A	-2.5160
119	H	A	-2.2191
120	Y	A	0.0000
121	N	A	-2.3324
122	S	A	-1.3733
123	H	A	-1.0532
124	R	A	-1.1327
125	G	A	-0.6976
126	L	A	0.0087
127	I	A	0.0000
128	M	A	0.5185
129	Y	A	-0.0986
130	S	A	-1.2579
131	W	A	0.0000
132	D	A	-2.6586
133	C	A	-1.9645
134	P	A	-1.2649
135	M	A	-1.5579
136	E	A	-2.6026
137	Q	A	-2.1161
138	C	A	0.0000
139	K	A	-3.4589
140	R	A	-3.0725
141	N	A	-1.9988
142	S	A	-1.1590
143	T	A	-0.3615
144	S	A	-0.3763
145	I	A	0.0000
146	Y	A	0.5988
147	F	A	0.0000
148	K	A	-1.9443
149	M	A	-1.5896
150	E	A	-2.9322
151	N	A	-3.0828
152	D	A	-2.8444
153	L	A	-1.7105
154	P	A	0.0000
155	Q	A	-1.8103
156	K	A	-2.1204
157	I	A	0.0000
158	Q	A	-1.4364
159	C	A	0.0000
160	T	A	-0.8178
161	L	A	0.0000
162	S	A	0.0240
163	N	A	0.0000
164	P	A	0.4768
165	L	A	0.7239
166	F	A	0.1155
167	N	A	-0.8466
168	T	A	-0.6708
169	T	A	-0.7801
170	S	A	-0.2970
171	S	A	-0.7257
172	I	A	-0.1080
173	I	A	0.0669
174	L	A	0.0000
175	T	A	-0.0207
176	T	A	0.1472
177	C	A	0.0000
178	I	A	0.6643
179	P	A	-0.1173
180	S	A	-0.5654
181	S	A	-0.7949
182	G	A	-1.4696
183	H	A	-2.0503
184	S	A	-2.2543
185	R	A	-3.2763
186	H	A	-3.0023
187	R	A	-2.8542