Project name: 5DWU

Chain sequence(s)	H: EVQLLESGGGLVQPGGSLRLSCAASGFTFPWYRVHWVRQAPGKGLEWVSSIRSSGGFPYYNYKVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARFYDSFFDIWGQGTMVTVSS; L: DIQMTQSPSSVSASVGDRVTITCRASQGISSWLAWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQANSFPITFGQGTRLEIK
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)

• Minimal score value: -2.7287
• Maximal score value: 1.2617
• Average score: -0.5077
• Total score value: -113.7167

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	-1.9938
2	V	H	-1.0291
3	Q	H	-0.9583
4	L	H	0.0000
5	L	H	0.7077
6	E	H	0.0000
7	S	H	-0.3741
8	G	H	-0.5826
9	G	H	-0.1233
11	G	H	0.4036
12	L	H	1.2412
13	V	H	0.0102
14	Q	H	-1.2899
15	P	H	-1.5235
16	G	H	-1.3651
17	G	H	-1.1103
18	S	H	-1.1062
19	L	H	-0.7418
20	R	H	-1.6385
21	L	H	0.0000
22	S	H	-0.3305
23	C	H	0.0000
24	A	H	-0.1895
25	A	H	0.0000
26	S	H	-0.7633
27	G	H	-1.1096
28	F	H	-0.2195
29	T	H	0.2268
30	F	H	0.0000
35	P	H	-0.2737
36	W	H	0.8934
37	Y	H	0.2886
38	R	H	-0.5921
39	V	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6548
45	A	H	-1.0860
46	P	H	-0.9164
47	G	H	-1.4755
48	K	H	-2.3084
49	G	H	-1.5085
50	L	H	0.0000
51	E	H	-0.7710
52	W	H	0.0000
53	V	H	0.0000
54	S	H	0.0000
55	S	H	0.0000
56	I	H	0.0000
57	R	H	-1.4489
58	S	H	-0.6660
59	S	H	-0.6986
62	G	H	-0.9139
63	G	H	-0.4743
64	F	H	0.3395
65	P	H	0.0524
66	Y	H	0.3508
67	Y	H	0.0590
68	N	H	0.0000
69	Y	H	0.3125
70	K	H	-0.6076
71	V	H	0.0000
72	K	H	-1.5767
74	G	H	-1.3353
75	R	H	-1.1728
76	F	H	0.0000
77	T	H	-0.7655
78	I	H	0.0000
79	S	H	-0.4701
80	R	H	-1.1664
81	D	H	-1.4504
82	N	H	-1.4540
83	S	H	-1.5395
84	K	H	-2.3473
85	N	H	-1.7414
86	T	H	-0.9985
87	L	H	0.0000
88	Y	H	-0.4191
89	L	H	0.0000
90	Q	H	-0.9983
91	M	H	0.0000
92	N	H	-1.2626
93	S	H	-1.1884
94	L	H	0.0000
95	R	H	-2.0010
96	A	H	-1.5371
97	E	H	-2.1642
98	D	H	0.0000
99	T	H	-0.4454
100	A	H	0.0000
101	V	H	0.3568
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0047
107	F	H	-0.0095
108	Y	H	0.2849
109	D	H	-1.2108
113	S	H	-0.3894
114	F	H	0.1935
115	F	H	0.0000
116	D	H	-0.1463
117	I	H	0.1429
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.3514
121	G	H	-0.5437
122	T	H	0.0464
123	M	H	0.5278
124	V	H	0.0000
125	T	H	0.1597
126	V	H	0.0000
127	S	H	-0.5181
128	S	H	-0.6669
1	D	L	-1.8608
2	I	L	-1.6214
3	Q	L	-2.2098
4	M	L	0.0000
5	T	L	-1.3723
6	Q	L	0.0000
7	S	L	-0.7531
8	P	L	-0.6242
9	S	L	-0.9491
10	S	L	-0.9431
11	V	L	-0.4605
12	S	L	-0.5011
13	A	L	0.0000
14	S	L	-0.0513
15	V	L	0.6946
16	G	L	-0.5381
17	D	L	-1.5940
18	R	L	-2.1932
19	V	L	0.0000
20	T	L	-0.5799
21	I	L	0.0000
22	T	L	-0.7864
23	C	L	0.0000
24	R	L	-2.7287
25	A	L	0.0000
26	S	L	-1.9697
27	Q	L	-2.3331
28	G	L	-1.5441
29	I	L	0.0000
36	S	L	-0.6159
37	S	L	-0.1347
38	W	L	0.5628
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.9943
44	Q	L	0.0000
45	K	L	-1.8923
46	P	L	-1.3113
47	G	L	-1.7009
48	K	L	-2.6298
49	A	L	-1.6565
50	P	L	0.0000
51	K	L	-1.5520
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.3421
56	A	L	0.3642
57	A	L	0.0000
65	S	L	-0.1414
66	S	L	0.1018
67	L	L	0.2868
68	Q	L	-0.2899
69	S	L	-0.4336
70	G	L	-0.5885
71	V	L	0.0000
72	P	L	-0.4309
74	S	L	-0.4575
75	R	L	-0.8457
76	F	L	0.0000
77	S	L	-0.3602
78	G	L	-0.2356
79	S	L	-0.6198
80	G	L	-1.0365
83	S	L	-0.9476
84	G	L	-1.2011
85	T	L	-1.7808
86	D	L	-1.9786
87	F	L	0.0000
88	T	L	-0.6928
89	L	L	0.0000
90	T	L	-0.6050
91	I	L	0.0000
92	S	L	-1.3530
93	S	L	-1.1220
94	L	L	0.0000
95	Q	L	-0.7281
96	P	L	-0.5149
97	E	L	-1.7089
98	D	L	0.0000
99	F	L	-0.3097
100	A	L	0.0000
101	T	L	-1.0826
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	A	L	0.0129
108	N	L	-0.3571
109	S	L	-0.0631
114	F	L	0.5625
115	P	L	0.3086
116	I	L	0.0000
117	T	L	-0.6631
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.6570
121	G	L	0.0000
122	T	L	0.0000
123	R	L	-1.9120
124	L	L	0.0000
125	E	L	-0.2028
126	I	L	1.2617
127	K	L	-0.6810