Project name: 4EDW VHVL

Chain sequence(s)	H: QVQLQESGPGLVKPSETLSLTCTVSGFSLIGYDLNWIRQPPGKGLEWIGIIWGDGTTDYNSAVKSRVTISKDTSKNQFSLKLSSVTAADTAVYYCARGGYWYATSYYFDYWGQGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTITCRASQSISNNLNWYQQKPGKAPKLLIYYTSRFHSGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQEHTLPYTFGQGTKLEIK
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:20)

• Minimal score value: -2.682
• Maximal score value: 1.8881
• Average score: -0.5005
• Total score value: -114.1246

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	Q	H	-1.4890
2	V	H	-0.8626
3	Q	H	-1.3741
4	L	H	0.0000
5	Q	H	-1.2996
6	E	H	0.0000
7	S	H	-0.6812
8	G	H	-0.5054
9	P	H	-0.1761
11	G	H	0.1243
12	L	H	0.5113
13	V	H	0.0000
14	K	H	-1.4856
15	P	H	-1.1453
16	S	H	-1.1791
17	E	H	-1.5688
18	T	H	-1.2469
19	L	H	0.0000
20	S	H	-0.9325
21	L	H	0.0000
22	T	H	-0.6840
23	C	H	0.0000
24	T	H	-1.1278
25	V	H	0.0000
26	S	H	-1.0693
27	G	H	-1.1081
28	F	H	-0.2165
29	S	H	0.2612
30	L	H	0.0000
35	I	H	1.3863
36	G	H	0.5923
37	Y	H	0.8648
38	D	H	0.0000
39	L	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	-0.6868
45	P	H	-0.7773
46	P	H	-0.8857
47	G	H	-1.4515
48	K	H	-2.3198
49	G	H	-1.5215
50	L	H	0.0000
51	E	H	-0.8968
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	I	H	0.0000
56	I	H	0.0000
57	W	H	-0.2457
58	G	H	-0.1360
59	D	H	-1.4588
63	G	H	-1.0067
64	T	H	-0.8376
65	T	H	-0.5741
66	D	H	-0.5742
67	Y	H	-0.5513
68	N	H	0.0000
69	S	H	-0.8999
70	A	H	-0.6980
71	V	H	0.0000
72	K	H	-1.6082
74	S	H	-1.0674
75	R	H	-1.2006
76	V	H	0.0000
77	T	H	-0.9834
78	I	H	0.0000
79	S	H	-0.9282
80	K	H	-1.4338
81	D	H	-2.1269
82	T	H	-1.2036
83	S	H	-1.6017
84	K	H	-2.4519
85	N	H	-1.5723
86	Q	H	-1.7475
87	F	H	0.0000
88	S	H	-0.8860
89	L	H	0.0000
90	K	H	-1.5817
91	L	H	0.0000
92	S	H	-1.0522
93	S	H	-0.9681
94	V	H	0.0000
95	T	H	-0.5044
96	A	H	-0.1860
97	A	H	0.0618
98	D	H	0.0000
99	T	H	0.2221
100	A	H	0.0000
101	V	H	0.4269
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	G	H	0.0000
108	G	H	0.0000
109	Y	H	1.7741
110	W	H	1.6866
111	Y	H	1.8881
111A	A	H	1.0506
112A	T	H	0.6433
112	S	H	0.0000
113	Y	H	0.9209
114	Y	H	0.0000
115	F	H	0.0000
116	D	H	0.1109
117	Y	H	0.1599
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.8083
121	G	H	0.0000
122	T	H	-0.0905
123	L	H	0.8167
124	V	H	0.0000
125	T	H	0.2010
126	V	H	0.0000
127	S	H	-0.4425
128	S	H	-0.5825
1	D	L	-2.1470
2	I	L	0.0000
3	Q	L	-2.2298
4	M	L	0.0000
5	T	L	-1.3776
6	Q	L	0.0000
7	S	L	-0.6796
8	P	L	-0.5947
9	S	L	-0.9762
10	S	L	-1.2908
11	L	L	-0.9727
12	S	L	-1.3768
13	A	L	0.0000
14	S	L	-0.8243
15	V	L	0.1967
16	G	L	-0.7154
17	D	L	-1.7254
18	R	L	-2.2898
19	V	L	0.0000
20	T	L	-0.6318
21	I	L	0.0000
22	T	L	-0.7771
23	C	L	0.0000
24	R	L	-2.6820
25	A	L	0.0000
26	S	L	-1.8699
27	Q	L	-1.8527
28	S	L	-1.2695
29	I	L	0.0000
36	S	L	-0.7666
37	N	L	-0.7794
38	N	L	0.0000
39	L	L	0.0000
40	N	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-1.3858
45	K	L	-1.8707
46	P	L	-1.2281
47	G	L	-1.7164
48	K	L	-2.6274
49	A	L	-1.5948
50	P	L	0.0000
51	K	L	-1.1987
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.2291
56	Y	L	0.0384
57	T	L	0.0000
65	S	L	-0.3129
66	R	L	-0.1458
67	F	L	0.4927
68	H	L	-0.0962
69	S	L	-0.3171
70	G	L	-0.4166
71	V	L	-0.2131
72	P	L	-0.2585
74	S	L	-0.3215
75	R	L	-0.8233
76	F	L	0.0000
77	S	L	-0.3073
78	G	L	-0.2494
79	S	L	-0.6710
80	G	L	-1.0372
83	S	L	-1.0564
84	G	L	-1.1585
85	T	L	-1.6326
86	D	L	-1.9985
87	F	L	0.0000
88	T	L	-0.6900
89	F	L	0.0000
90	T	L	0.0000
91	I	L	0.0000
92	S	L	-1.4428
93	S	L	-1.1775
94	L	L	0.0000
95	Q	L	-0.6933
96	P	L	-1.0835
97	E	L	-1.7752
98	D	L	0.0000
99	I	L	-0.9852
100	A	L	0.0000
101	T	L	0.0000
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.0000
107	E	L	0.0000
108	H	L	-0.5532
109	T	L	-0.3998
114	L	L	-0.1766
115	P	L	0.0000
116	Y	L	0.0000
117	T	L	-0.8250
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.6168
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-2.2641
124	L	L	0.0000
125	E	L	-2.1859
126	I	L	-1.0699
127	K	L	-1.6776