Project name: CD58_6mut

Chain sequence(s)	A: SSQQIYGVKYGNVTFHVPSNQPLKEVLWKKQKDKVAELENSEFRAFSSFKNRVYLDTKSGSLTIYNLTSSDEDEYEMESPNITDSMKFFLYVGESLPSPTLTCALTNGSIEVQCMIPEHYNSHRGLIMYSWDCPMEQCKRNSTSIYFKMENDLPQKIQCTLSNPLFNTTSSIILTTCIPSSGHSRHR
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                                          (00:02:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:27)

• Minimal score value: -3.6658
• Maximal score value: 0.959
• Average score: -0.9724
• Total score value: -181.846

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	S	A	-0.7026
2	S	A	-1.2471
3	Q	A	-1.8186
4	Q	A	-1.5472
5	I	A	-0.5214
6	Y	A	0.2014
7	G	A	0.0000
8	V	A	0.0133
9	K	A	-0.5406
10	Y	A	0.2354
11	G	A	-0.4472
12	N	A	-1.0167
13	V	A	-0.4564
14	T	A	-0.1698
15	F	A	0.0000
16	H	A	-1.0415
17	V	A	0.0000
18	P	A	-0.8913
19	S	A	-1.5448
20	N	A	-2.0290
21	Q	A	-2.1311
22	P	A	-2.3103
23	L	A	0.0000
24	K	A	-3.3385
25	E	A	-2.9635
26	V	A	0.0000
27	L	A	-0.8655
28	W	A	0.0000
29	K	A	-2.6405
30	K	A	-2.8385
31	Q	A	-3.2873
32	K	A	-3.6658
33	D	A	-3.5230
34	K	A	-2.3763
35	V	A	0.0000
36	A	A	0.0000
37	E	A	-0.8922
38	L	A	0.0000
39	E	A	-2.7383
40	N	A	-2.8185
41	S	A	-2.2573
42	E	A	-2.3861
43	F	A	-0.5722
44	R	A	-0.8196
45	A	A	-0.7120
46	F	A	-0.9580
47	S	A	-0.9908
48	S	A	-0.9392
49	F	A	0.0000
50	K	A	-2.2657
51	N	A	-2.0206
52	R	A	-1.2869
53	V	A	-0.2699
54	Y	A	0.9590
55	L	A	0.0000
56	D	A	-0.7440
57	T	A	-1.4637
58	K	A	-2.5425
59	S	A	-1.8256
60	G	A	0.0000
61	S	A	0.0000
62	L	A	0.0000
63	T	A	0.1323
64	I	A	0.0000
65	Y	A	-0.3721
66	N	A	-1.0165
67	L	A	0.0000
68	T	A	-0.5894
69	S	A	-0.5412
70	S	A	-0.6104
71	D	A	0.0000
72	E	A	-0.7755
73	D	A	-1.1235
74	E	A	-2.0340
75	Y	A	0.0000
76	E	A	-1.8840
77	M	A	0.0000
78	E	A	-1.6804
79	S	A	0.0000
80	P	A	-1.5050
81	N	A	-1.9561
82	I	A	-0.9527
83	T	A	-1.1649
84	D	A	-2.0696
85	S	A	-1.3720
86	M	A	-1.2039
87	K	A	-1.7830
88	F	A	0.0000
89	F	A	-0.9498
90	L	A	0.0000
91	Y	A	-0.2233
92	V	A	0.0000
93	G	A	-0.3815
94	E	A	-1.1685
95	S	A	-0.7521
96	L	A	0.0000
97	P	A	-0.5373
98	S	A	-0.3419
99	P	A	0.0000
100	T	A	-0.0644
101	L	A	0.1660
102	T	A	0.0924
103	C	A	0.4952
104	A	A	0.4727
105	L	A	0.4100
106	T	A	-0.4842
107	N	A	-1.4366
108	G	A	-1.2897
109	S	A	-0.9082
110	I	A	0.0000
111	E	A	-0.0714
112	V	A	0.0000
113	Q	A	-0.1652
114	C	A	0.0000
115	M	A	0.1720
116	I	A	-0.5731
117	P	A	-1.2052
118	E	A	-2.4597
119	H	A	-2.2037
120	Y	A	0.0000
121	N	A	-2.4248
122	S	A	-1.5339
123	H	A	-1.2378
124	R	A	-1.4543
125	G	A	-0.8694
126	L	A	-0.1203
127	I	A	0.0000
128	M	A	0.0958
129	Y	A	-0.1238
130	S	A	-1.3533
131	W	A	0.0000
132	D	A	-2.8261
133	C	A	-2.0138
134	P	A	-1.3444
135	M	A	-1.6734
136	E	A	-2.9021
137	Q	A	-2.3070
138	C	A	0.0000
139	K	A	-3.6361
140	R	A	-3.3948
141	N	A	-2.2262
142	S	A	-1.2890
143	T	A	-0.3905
144	S	A	-0.3781
145	I	A	0.0000
146	Y	A	0.5249
147	F	A	0.0000
148	K	A	-2.0420
149	M	A	-1.6332
150	E	A	-2.9913
151	N	A	-3.1229
152	D	A	-2.8857
153	L	A	-1.7898
154	P	A	0.0000
155	Q	A	-1.8420
156	K	A	-2.1528
157	I	A	0.0000
158	Q	A	-1.2422
159	C	A	0.0000
160	T	A	-0.7910
161	L	A	0.0000
162	S	A	-0.1864
163	N	A	-0.2462
164	P	A	0.1464
165	L	A	0.3740
166	F	A	-0.2557
167	N	A	-1.0863
168	T	A	-0.7145
169	T	A	-0.6918
170	S	A	-0.2019
171	S	A	-0.5744
172	I	A	-0.0523
173	I	A	0.0671
174	L	A	0.0000
175	T	A	-0.0745
176	T	A	0.1060
177	C	A	0.0000
178	I	A	0.7896
179	P	A	-0.0706
180	S	A	-0.5429
181	S	A	-0.8113
182	G	A	-1.8956
183	H	A	-2.5786
184	S	A	-3.0478
185	R	A	-3.5754
186	H	A	-3.0294
187	R	A	-3.4043