Project name: SP34_scfv_2

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLKLSCAASGFTFNKYAMNWVRQAPGKGLEWVARIRSKYQNYATYYADSVKDRFTISRDDSKNTAYLQMNNLKTEDTAVYYCVRHGNFGNSYISYWAYWGQGTLVTVSS; L: QTVVTQEPSLTVSPGGTVTLTCGSSTGAVTSGYYPNWVQQKPGQAPRGLIGGTKFLAPGTPARFSGSLLGGKAALTLSGVQPEDEAEYYCALWYSNRWVFGGGTKLTVL
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]                                                (00:00:00)
[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 all 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                                          (00:01:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:16)

• Minimal score value: -2.8792
• Maximal score value: 1.538
• Average score: -0.422
• Total score value: -98.7572

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	E	H	-1.9640
2	V	H	-0.9140
3	Q	H	-0.7693
4	L	H	0.0000
5	V	H	1.0551
6	E	H	0.0000
7	S	H	-0.1099
8	G	H	-0.6188
9	G	H	0.1874
11	G	H	0.8233
12	L	H	1.4320
13	V	H	-0.0187
14	Q	H	-1.4705
15	P	H	-2.0044
16	G	H	-1.8692
17	G	H	-1.2955
18	S	H	-1.3883
19	L	H	-0.7888
20	K	H	-1.6446
21	L	H	0.0000
22	S	H	-0.2040
23	C	H	0.0000
24	A	H	-0.1123
25	A	H	0.0000
26	S	H	-0.8477
27	G	H	-1.0672
28	F	H	-0.7532
29	T	H	-0.6252
30	F	H	0.0000
35	N	H	-1.5385
36	K	H	-1.6403
37	Y	H	-0.8482
38	A	H	0.0000
39	M	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6528
45	A	H	-1.0597
46	P	H	-0.8282
47	G	H	-1.4585
48	K	H	-2.2700
49	G	H	-1.4779
50	L	H	0.0000
51	E	H	-0.8804
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	R	H	-0.1873
56	I	H	0.0000
57	R	H	-1.0957
58	S	H	0.0000
59	K	H	-2.0836
60	Y	H	-0.3845
61	Q	H	-1.1568
62	N	H	-1.6652
63	Y	H	-0.9546
64	A	H	-0.5645
65	T	H	-0.1384
66	Y	H	-0.3505
67	Y	H	-1.0565
68	A	H	0.0000
69	D	H	-2.4803
70	S	H	-1.7496
71	V	H	0.0000
72	K	H	-2.5719
74	D	H	-2.8792
75	R	H	-2.2061
76	F	H	0.0000
77	T	H	-0.8599
78	I	H	0.0000
79	S	H	-0.2599
80	R	H	-1.0424
81	D	H	-1.5144
82	D	H	-2.0287
83	S	H	-1.6037
84	K	H	-2.3932
85	N	H	-1.8678
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.2340
89	L	H	0.0000
90	Q	H	-0.9143
91	M	H	0.0000
92	N	H	-1.9283
93	N	H	-2.4366
94	L	H	0.0000
95	K	H	-2.5486
96	T	H	-1.8228
97	E	H	-2.2750
98	D	H	0.0000
99	T	H	-0.4173
100	A	H	0.0000
101	V	H	0.7334
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	V	H	0.0000
106	R	H	0.0000
107	H	H	0.0000
108	G	H	0.0000
109	N	H	-1.0870
110	F	H	-0.0638
111	G	H	-0.7467
111A	N	H	-1.1850
112B	S	H	0.0037
112A	Y	H	1.0914
112	I	H	0.7652
113	S	H	0.4498
114	Y	H	0.0000
115	W	H	0.0000
116	A	H	-0.0179
117	Y	H	0.3811
118	W	H	0.0925
119	G	H	0.0000
120	Q	H	-0.9830
121	G	H	-0.0645
122	T	H	0.5780
123	L	H	1.5380
124	V	H	0.0000
125	T	H	0.3085
126	V	H	0.0000
127	S	H	-0.7040
128	S	H	-0.5450
1	Q	L	-0.7962
2	T	L	0.1765
3	V	L	1.3912
4	V	L	0.0000
5	T	L	0.0207
6	Q	L	0.0000
7	E	L	-0.7941
8	P	L	-0.8376
9	S	L	-0.6700
11	L	L	-0.0673
12	T	L	0.3295
13	V	L	0.3428
14	S	L	0.1583
15	P	L	-0.6165
16	G	L	-0.9801
17	G	L	-0.6551
18	T	L	-0.4998
19	V	L	0.0000
20	T	L	-0.0731
21	L	L	0.0000
22	T	L	-0.0268
23	C	L	0.0000
24	G	L	0.0000
25	S	L	0.1204
26	S	L	0.0107
27	T	L	-0.2615
28	G	L	-0.6300
29	A	L	-0.2374
30	V	L	0.0000
31	T	L	0.0385
35	S	L	-0.2704
36	G	L	-0.1910
37	Y	L	0.2419
38	Y	L	0.4099
39	P	L	0.0000
40	N	L	0.0000
41	W	L	0.0000
42	V	L	0.0000
43	Q	L	0.0000
44	Q	L	-1.2210
45	K	L	-1.6544
46	P	L	-1.2063
47	G	L	-1.4106
48	Q	L	-1.9994
49	A	L	-1.2745
50	P	L	0.0000
51	R	L	-0.8449
52	G	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	G	L	0.0000
56	G	L	0.1206
57	T	L	0.0000
65	K	L	-1.1063
66	F	L	0.2379
67	L	L	0.2852
68	A	L	0.0000
69	P	L	-0.2619
70	G	L	-0.5963
71	T	L	-0.3481
72	P	L	-0.2245
74	A	L	-0.1606
75	R	L	-0.4920
76	F	L	0.0000
77	S	L	-0.4668
78	G	L	0.0000
79	S	L	0.0684
80	L	L	0.8451
83	L	L	1.3760
84	G	L	0.1668
85	G	L	-0.1028
86	K	L	-0.1308
87	A	L	0.0000
88	A	L	0.0000
89	L	L	0.0000
90	T	L	-0.2267
91	L	L	0.0000
92	S	L	-0.6415
93	G	L	-0.8321
94	V	L	0.0000
95	Q	L	-1.4681
96	P	L	-1.1723
97	E	L	-1.8268
98	D	L	0.0000
99	E	L	-1.2803
100	A	L	0.0000
101	E	L	-0.9390
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	A	L	0.0000
106	L	L	0.0000
107	W	L	0.0079
108	Y	L	0.0000
109	S	L	-0.8009
114	N	L	-1.2659
115	R	L	-0.9652
116	W	L	0.0000
117	V	L	0.3825
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.8082
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.2098
124	L	L	0.0000
125	T	L	0.0744
126	V	L	0.3538
127	L	L	1.3779