Project name: CD58_WT

Chain sequence(s)	A: FSQQIYGVVYGNVTFHVPSNVPLKEVLWKKQKDKVAELENSEFRAFSSFKNRVYLDTVSGSLTIYNLTSSDEDEYEMESPNITDTMKFFLYVLESLPSPTLTCALTNGSIEVQCMIPEHYNSHRGLIMYSWDCPMEQCKRNSTSIYFKMENDLPQKIQCTLSNPLFNTTSSIILTTCIPSSGHSRHR
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:05)

• Minimal score value: -3.5548
• Maximal score value: 1.2428
• Average score: -0.8137
• Total score value: -152.1625

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	1.2428
2	S	A	-0.1076
3	Q	A	-0.8956
4	Q	A	-0.8926
5	I	A	-0.2044
6	Y	A	0.3088
7	G	A	0.0000
8	V	A	0.2250
9	V	A	0.3177
10	Y	A	0.6851
11	G	A	-0.2072
12	N	A	-0.9455
13	V	A	0.0000
14	T	A	-0.2495
15	F	A	0.0000
16	H	A	-1.1114
17	V	A	0.0000
18	P	A	-0.6276
19	S	A	-0.2757
20	N	A	-0.5136
21	V	A	0.6587
22	P	A	0.1068
23	L	A	0.0000
24	K	A	-2.4408
25	E	A	-2.7308
26	V	A	0.0000
27	L	A	-0.7750
28	W	A	0.0000
29	K	A	-2.3354
30	K	A	-2.6597
31	Q	A	-3.1022
32	K	A	-3.5548
33	D	A	-3.4462
34	K	A	-2.3850
35	V	A	0.0000
36	A	A	0.0000
37	E	A	-1.1742
38	L	A	0.0000
39	E	A	-3.3921
40	N	A	-3.0432
41	S	A	-2.5791
42	E	A	-2.6839
43	F	A	-0.9475
44	R	A	-1.4732
45	A	A	-1.0495
46	F	A	-1.2856
47	S	A	-0.9643
48	S	A	-0.9672
49	F	A	0.0000
50	K	A	-2.4124
51	N	A	-2.0162
52	R	A	-1.2701
53	V	A	-0.1863
54	Y	A	0.8731
55	L	A	0.0000
56	D	A	0.3623
57	T	A	0.1959
58	V	A	1.1654
59	S	A	0.2079
60	G	A	0.0000
61	S	A	-0.1450
62	L	A	0.0000
63	T	A	0.0992
64	I	A	0.0000
65	Y	A	-0.2435
66	N	A	-0.7918
67	L	A	0.0000
68	T	A	-0.2650
69	S	A	-0.4187
70	S	A	-0.5044
71	D	A	0.0000
72	E	A	-0.8085
73	D	A	-1.1131
74	E	A	-1.8193
75	Y	A	0.0000
76	E	A	-1.6701
77	M	A	0.0000
78	E	A	-1.3864
79	S	A	-1.4908
80	P	A	-1.2341
81	N	A	-1.2278
82	I	A	-0.4816
83	T	A	-0.9952
84	D	A	-1.8029
85	T	A	-1.0475
86	M	A	-0.7856
87	K	A	-1.0924
88	F	A	0.0000
89	F	A	-0.7181
90	L	A	0.0000
91	Y	A	-0.1889
92	V	A	0.0000
93	L	A	0.0000
94	E	A	-1.4399
95	S	A	-0.8192
96	L	A	0.0000
97	P	A	-0.5521
98	S	A	-0.4158
99	P	A	0.0000
100	T	A	-0.1135
101	L	A	0.1507
102	T	A	0.0646
103	C	A	0.3523
104	A	A	0.2284
105	L	A	0.2073
106	T	A	-0.5964
107	N	A	-1.5222
108	G	A	-1.4789
109	S	A	0.0000
110	I	A	0.0000
111	E	A	-0.3044
112	V	A	0.0000
113	Q	A	-0.1898
114	C	A	0.0000
115	M	A	0.0629
116	I	A	0.0000
117	P	A	-1.3079
118	E	A	-2.5025
119	H	A	-2.2023
120	Y	A	0.0000
121	N	A	-2.4618
122	S	A	-1.6433
123	H	A	-1.2289
124	R	A	-1.2925
125	G	A	-0.7892
126	L	A	-0.0574
127	I	A	0.0000
128	M	A	0.3013
129	Y	A	-0.1859
130	S	A	-1.2867
131	W	A	0.0000
132	D	A	-2.5643
133	C	A	-1.8647
134	P	A	-1.2314
135	M	A	-1.4142
136	E	A	-2.6393
137	Q	A	-2.1099
138	C	A	0.0000
139	K	A	-3.5087
140	R	A	-3.1665
141	N	A	-2.0791
142	S	A	-1.2071
143	T	A	-0.3732
144	S	A	-0.3712
145	I	A	0.0000
146	Y	A	0.3974
147	F	A	0.0000
148	K	A	-2.4363
149	M	A	-1.8555
150	E	A	-3.0955
151	N	A	-3.2034
152	D	A	-2.8967
153	L	A	-1.6923
154	P	A	-1.3165
155	Q	A	-1.7545
156	K	A	-1.8964
157	I	A	0.0000
158	Q	A	-1.2720
159	C	A	0.0000
160	T	A	-0.7951
161	L	A	0.0000
162	S	A	-0.0176
163	N	A	0.0000
164	P	A	0.4591
165	L	A	0.6629
166	F	A	0.1098
167	N	A	-0.8273
168	T	A	-0.6514
169	T	A	-0.7328
170	S	A	-0.2120
171	S	A	-0.5868
172	I	A	-0.1452
173	I	A	-0.1897
174	L	A	0.0000
175	T	A	-0.1545
176	T	A	0.1739
177	C	A	0.0000
178	I	A	0.6194
179	P	A	-0.1159
180	S	A	-0.5648
181	S	A	-0.8188
182	G	A	-1.4609
183	H	A	-2.1160
184	S	A	-2.2853
185	R	A	-3.3486
186	H	A	-3.0060
187	R	A	-2.8971