Project name: mu1F5_ABB

Chain sequence(s)	H: DVQLQESGPGLVKPSQSLSLTCSVTGYSITSDYYWNWIRQFPGNKLEWMGYVTYDGSNNYNPSLKNRISITRDSSKNQFFLKLNSVISEDTATYYCARFGSSYWAMDYWGQGTSLTVSS; L: QIVLTQSPAIMSASLGEAITLTCSASSSVSYMHWYQQKSGTSPKLLIYSTSNLASGVPSRFSGSGSGTFYSLTISSVEAEDAADYYCHQWYSYPWTFGGGTKLEIK
Selected Chain(s)	H,L
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:42)

• Minimal score value: -2.5395
• Maximal score value: 1.7019
• Average score: -0.3676
• Total score value: -82.7175

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	D	H	-1.9494
2	V	H	-1.1781
3	Q	H	-1.6798
4	L	H	0.0000
5	Q	H	-1.1806
6	E	H	0.0000
7	S	H	-0.6369
8	G	H	-0.6137
9	P	H	-0.2284
11	G	H	0.0908
12	L	H	0.7847
13	V	H	0.0000
14	K	H	-1.6980
15	P	H	-0.9929
16	S	H	-1.0396
17	Q	H	-1.8191
18	S	H	-1.4156
19	L	H	0.0000
20	S	H	-0.9343
21	L	H	0.0000
22	T	H	-0.4368
23	C	H	0.0000
24	S	H	-0.9417
25	V	H	0.0000
26	T	H	-1.0817
27	G	H	-1.0171
28	Y	H	-0.2118
29	S	H	-0.2511
30	I	H	0.0000
31	T	H	-0.4820
35	S	H	-0.4501
36	D	H	-0.7958
37	Y	H	-0.1525
38	Y	H	-0.1062
39	W	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	I	H	0.0000
43	R	H	0.0000
44	Q	H	0.0000
45	F	H	-1.0140
46	P	H	-1.0702
47	G	H	-1.2790
48	N	H	-1.8042
49	K	H	-2.2079
50	L	H	0.0000
51	E	H	-0.6465
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	Y	H	0.0000
56	V	H	0.0000
57	T	H	-0.7387
58	Y	H	-0.7349
59	D	H	-1.8630
63	G	H	-1.3828
64	S	H	-1.1469
65	N	H	-1.1815
66	N	H	-0.7436
67	Y	H	-0.7525
68	N	H	-0.7939
69	P	H	-1.0584
70	S	H	-1.0198
71	L	H	0.0000
72	K	H	-2.5395
74	N	H	-2.3878
75	R	H	-1.8996
76	I	H	0.0000
77	S	H	-1.1237
78	I	H	0.0000
79	T	H	-0.6864
80	R	H	-1.0580
81	D	H	-1.6584
82	S	H	-1.4443
83	S	H	-1.5204
84	K	H	-2.3436
85	N	H	-1.5369
86	Q	H	-1.3242
87	F	H	0.0000
88	F	H	-0.1847
89	L	H	0.0000
90	K	H	-1.2238
91	L	H	0.0000
92	N	H	-1.2718
93	S	H	-0.8069
94	V	H	0.0000
95	I	H	0.3710
96	S	H	-0.5726
97	E	H	-1.3284
98	D	H	0.0000
99	T	H	-0.2144
100	A	H	0.0000
101	T	H	-0.3479
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.0995
107	F	H	0.0000
108	G	H	0.0000
109	S	H	0.3148
110	S	H	0.4157
112	Y	H	1.2643
113	W	H	1.0953
114	A	H	0.0000
115	M	H	0.0000
116	D	H	-0.3199
117	Y	H	-0.3021
118	W	H	-0.4710
119	G	H	0.0000
120	Q	H	-1.4709
121	G	H	-0.8843
122	T	H	-0.6897
123	S	H	-0.1935
124	L	H	0.0000
125	T	H	-0.0117
126	V	H	0.0000
127	S	H	-0.4587
128	S	H	-0.5157
1	Q	L	-0.4020
2	I	L	0.5274
3	V	L	1.3897
4	L	L	0.0000
5	T	L	0.3450
6	Q	L	0.0000
7	S	L	0.0490
8	P	L	0.4252
9	A	L	0.7316
10	I	L	1.7019
11	M	L	0.8175
12	S	L	-0.2525
13	A	L	0.0000
14	S	L	-0.8802
15	L	L	-0.4147
16	G	L	-1.0581
17	E	L	-1.9013
18	A	L	-0.8706
19	I	L	0.0000
20	T	L	-0.2727
21	L	L	0.0000
22	T	L	0.2086
23	C	L	0.0000
24	S	L	0.7100
25	A	L	0.0000
26	S	L	0.3386
27	S	L	-0.0255
28	S	L	0.0163
29	V	L	0.0000
37	S	L	0.2657
38	Y	L	0.9503
39	M	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.7330
44	Q	L	0.0000
45	K	L	-1.5814
46	S	L	-0.9991
47	G	L	-0.9941
48	T	L	-1.0173
49	S	L	-0.8473
50	P	L	0.0000
51	K	L	-0.9123
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.4130
56	S	L	0.0000
57	T	L	0.0000
65	S	L	-0.4186
66	N	L	-0.4484
67	L	L	-0.0763
68	A	L	0.0000
69	S	L	-0.4589
70	G	L	-0.4648
71	V	L	-0.2538
72	P	L	-0.3767
74	S	L	-0.4778
75	R	L	-0.7975
76	F	L	0.0000
77	S	L	-0.4531
78	G	L	-0.3693
79	S	L	-0.2371
80	G	L	0.1861
83	S	L	0.1925
84	G	L	0.1530
85	T	L	0.5360
86	F	L	1.5980
87	Y	L	0.0000
88	S	L	0.1531
89	L	L	0.0000
90	T	L	-0.2628
91	I	L	0.0000
92	S	L	-0.9545
93	S	L	-1.0861
94	V	L	0.0000
95	E	L	-1.5993
96	A	L	-1.2407
97	E	L	-2.0056
98	D	L	0.0000
99	A	L	-1.0099
100	A	L	0.0000
101	D	L	-0.7736
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	H	L	0.0000
106	Q	L	0.0000
107	W	L	0.9814
108	Y	L	1.2818
109	S	L	0.4893
114	Y	L	0.5853
115	P	L	0.0856
116	W	L	0.0000
117	T	L	0.2758
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.8791
121	G	L	-0.6284
122	T	L	0.0000
123	K	L	-0.3052
124	L	L	0.0000
125	E	L	-0.4479
126	I	L	-0.2863
127	K	L	-1.3667