Project name: 4EDW

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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:13)

• Minimal score value: -2.7246
• Maximal score value: 1.9417
• Average score: -0.509
• Total score value: -116.0597

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	-1.5499
2	V	H	-0.9563
3	Q	H	-1.7090
4	L	H	0.0000
5	Q	H	-1.5740
6	E	H	0.0000
7	S	H	-0.7302
8	G	H	-0.5038
9	P	H	-0.1851
11	G	H	0.1052
12	L	H	0.4579
13	V	H	0.0000
14	K	H	-1.5290
15	P	H	-1.1654
16	S	H	-1.1879
17	E	H	-1.5828
18	T	H	-1.2428
19	L	H	0.0000
20	S	H	-0.9067
21	L	H	0.0000
22	T	H	-0.6839
23	C	H	0.0000
24	T	H	-1.1743
25	V	H	0.0000
26	S	H	-1.1491
27	G	H	-1.1634
28	F	H	-0.2530
29	S	H	0.2792
30	L	H	0.0000
35	I	H	1.3796
36	G	H	0.5590
37	Y	H	0.6692
38	D	H	0.2204
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	-0.6909
45	P	H	-0.7803
46	P	H	-0.8851
47	G	H	-1.4512
48	K	H	-2.3166
49	G	H	-1.5173
50	L	H	0.0000
51	E	H	-0.9044
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	-0.3825
58	G	H	-0.2541
59	D	H	-1.4870
63	G	H	-1.0946
64	T	H	-0.8185
65	T	H	-0.5534
66	D	H	-0.4783
67	Y	H	-0.5053
68	N	H	0.0000
69	S	H	-0.8931
70	A	H	-0.7100
71	V	H	0.0000
72	K	H	-1.6378
74	S	H	-1.0889
75	R	H	-1.2060
76	V	H	0.0000
77	T	H	-0.9552
78	I	H	0.0000
79	S	H	-0.7977
80	K	H	-1.2085
81	D	H	-1.7036
82	T	H	-0.9984
83	S	H	-1.4655
84	K	H	-2.3158
85	N	H	-1.4523
86	Q	H	-1.5538
87	F	H	0.0000
88	S	H	-0.7778
89	L	H	0.0000
90	K	H	-1.5240
91	L	H	0.0000
92	S	H	-1.0397
93	S	H	-0.9716
94	V	H	0.0000
95	T	H	-0.5099
96	A	H	-0.1908
97	A	H	0.0620
98	D	H	0.0000
99	T	H	0.2157
100	A	H	0.0000
101	V	H	0.4108
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	1.8719
110	W	H	1.7877
111	Y	H	1.9417
111A	A	H	1.0756
112A	T	H	0.6761
112	S	H	0.0000
113	Y	H	0.9623
114	Y	H	0.0000
115	F	H	0.0000
116	D	H	0.0000
117	Y	H	0.3052
118	W	H	-0.3799
119	G	H	0.0000
120	Q	H	-1.8560
121	G	H	0.0000
122	T	H	-0.1277
123	L	H	0.6878
124	V	H	0.0000
125	T	H	0.2109
126	V	H	0.0000
127	S	H	-0.4669
128	S	H	-0.6019
1	D	L	-2.1331
2	I	L	0.0000
3	Q	L	-2.2346
4	M	L	0.0000
5	T	L	-1.3947
6	Q	L	0.0000
7	S	L	-0.6983
8	P	L	-0.5877
9	S	L	-0.9615
10	S	L	-1.3023
11	L	L	-1.0052
12	S	L	-1.4097
13	A	L	0.0000
14	S	L	-0.9016
15	V	L	0.1724
16	G	L	-0.7394
17	D	L	-1.9268
18	R	L	-2.3514
19	V	L	0.0000
20	T	L	-0.6663
21	I	L	0.0000
22	T	L	-0.8007
23	C	L	0.0000
24	R	L	-2.7246
25	A	L	0.0000
26	S	L	-1.8984
27	Q	L	-1.9025
28	S	L	-1.2928
29	I	L	0.0000
36	S	L	-0.7692
37	N	L	-0.7847
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	-1.3770
45	K	L	-1.7669
46	P	L	-1.1601
47	G	L	-1.7057
48	K	L	-2.6339
49	A	L	-1.5960
50	P	L	0.0000
51	K	L	-1.3217
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.0000
56	Y	L	-0.0347
57	T	L	0.0000
65	S	L	-0.3560
66	R	L	-0.1997
67	F	L	0.4448
68	H	L	-0.1330
69	S	L	-0.3011
70	G	L	-0.4219
71	V	L	-0.2432
72	P	L	-0.2718
74	S	L	-0.3065
75	R	L	-0.7711
76	F	L	0.0000
77	S	L	-0.2793
78	G	L	-0.2744
79	S	L	-0.6869
80	G	L	-1.0648
83	S	L	-1.0811
84	G	L	-1.1844
85	T	L	-1.6803
86	D	L	-2.0800
87	F	L	0.0000
88	T	L	-0.7184
89	F	L	0.0000
90	T	L	-0.6038
91	I	L	0.0000
92	S	L	-1.3417
93	S	L	-1.1829
94	L	L	0.0000
95	Q	L	-0.5724
96	P	L	-0.9179
97	E	L	-1.5267
98	D	L	0.0000
99	I	L	-0.6781
100	A	L	0.0000
101	T	L	-1.2174
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	-0.5235
109	T	L	-0.3542
114	L	L	-0.0699
115	P	L	0.0000
116	Y	L	0.0000
117	T	L	-0.8062
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.6056
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-2.2440
124	L	L	0.0000
125	E	L	-2.2496
126	I	L	-1.0162
127	K	L	-1.7107