Project name: 5DK3

Chain sequence(s)	H: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSS; L: EIVLTQSPATLSLSPGERATLSCRASKGVSTSGYSYLHWYQQKPGQAPRLLIYLASYLESGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCQHSRDLPLTFGGGTKVEIK
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                                          (00:01:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:19)

• Minimal score value: -3.5852
• Maximal score value: 1.6963
• Average score: -0.5136
• Total score value: -118.6511

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	-1.4913
2	V	H	-0.8604
3	Q	H	-1.3221
4	L	H	0.0000
5	V	H	-0.1036
6	Q	H	0.0000
7	S	H	-0.2129
8	G	H	0.1756
9	V	H	1.6963
11	E	H	0.8175
12	V	H	1.2930
13	K	H	-0.6156
14	K	H	-1.7159
15	P	H	-1.3938
16	G	H	-1.1932
17	A	H	-1.2440
18	S	H	-1.3260
19	V	H	0.0000
20	K	H	-1.4588
21	V	H	0.0000
22	S	H	-0.3992
23	C	H	0.0000
24	K	H	-0.8293
25	A	H	0.0000
26	S	H	-0.8473
27	G	H	-0.9999
28	Y	H	-0.4562
29	T	H	-0.1761
30	F	H	0.0000
35	T	H	-0.3605
36	N	H	-0.4091
37	Y	H	0.1785
38	Y	H	0.1643
39	M	H	0.0000
40	Y	H	0.0977
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6002
45	A	H	-0.9482
46	P	H	-0.9747
47	G	H	-1.2466
48	Q	H	-1.7521
49	G	H	-1.1129
50	L	H	0.0000
51	E	H	-0.6341
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	G	H	0.0000
56	I	H	0.0000
57	N	H	-0.7491
58	P	H	0.0000
59	S	H	-0.9709
62	N	H	-1.6798
63	G	H	-1.2341
64	G	H	-1.2065
65	T	H	-0.9704
66	N	H	-1.5943
67	F	H	-1.6951
68	N	H	-2.3685
69	E	H	-3.5012
70	K	H	-3.2758
71	F	H	0.0000
72	K	H	-3.5852
74	N	H	-2.8444
75	R	H	-2.0730
76	V	H	0.0000
77	T	H	-0.8213
78	L	H	0.0000
79	T	H	-0.2702
80	T	H	-0.6881
81	D	H	-0.8553
82	S	H	-0.7407
83	S	H	-0.5284
84	T	H	-0.5701
85	T	H	-0.6183
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.3099
89	M	H	0.0000
90	E	H	-0.9894
91	L	H	0.0000
92	K	H	-1.4436
93	S	H	-1.3194
94	L	H	0.0000
95	Q	H	-1.0255
96	F	H	0.4071
97	D	H	-0.8596
98	D	H	0.0000
99	T	H	0.0200
100	A	H	0.0000
101	V	H	0.3359
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	R	H	0.0000
108	D	H	0.0000
109	Y	H	0.1073
110	R	H	-1.1435
111	F	H	-0.0134
112	D	H	0.0238
113	M	H	0.2849
114	G	H	0.0000
115	F	H	0.0000
116	D	H	-0.0733
117	Y	H	0.2171
118	W	H	-0.1791
119	G	H	0.0000
120	Q	H	-1.3595
121	G	H	-0.4574
122	T	H	0.0000
123	T	H	0.6637
124	V	H	0.0000
125	T	H	0.4744
126	V	H	0.0000
127	S	H	-0.4444
128	S	H	-0.6644
1	E	L	-1.8292
2	I	L	0.0000
3	V	L	0.6187
4	L	L	0.0000
5	T	L	-0.6119
6	Q	L	-0.6838
7	S	L	-0.7106
8	P	L	-0.3997
9	A	L	-0.3504
10	T	L	-0.4271
11	L	L	-0.0870
12	S	L	-0.2174
13	L	L	-0.4929
14	S	L	-0.9042
15	P	L	-1.3490
16	G	L	-1.6719
17	E	L	-2.0541
18	R	L	-2.5235
19	A	L	0.0000
20	T	L	-0.5587
21	L	L	0.0000
22	S	L	-0.8041
23	C	L	0.0000
24	R	L	-2.3652
25	A	L	0.0000
26	S	L	-1.2914
27	K	L	-2.3682
28	G	L	-1.8013
29	V	L	0.0000
30	S	L	-0.6996
31	T	L	-0.3224
34	S	L	-0.2758
35	G	L	-0.3204
36	Y	L	0.1909
37	S	L	0.0000
38	Y	L	-0.1587
39	L	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.3647
46	P	L	-1.0595
47	G	L	-1.3922
48	Q	L	-2.0324
49	A	L	-1.2090
50	P	L	0.0000
51	R	L	-1.0388
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.6044
56	L	L	0.0000
57	A	L	0.0000
65	S	L	0.2870
66	Y	L	1.0957
67	L	L	0.7657
68	E	L	-0.0867
69	S	L	-0.3689
70	G	L	-0.5681
71	V	L	0.0000
72	P	L	-0.2515
74	A	L	-0.1499
75	R	L	-0.6361
76	F	L	0.0000
77	S	L	-0.0765
78	G	L	-0.0457
79	S	L	-0.5095
80	G	L	-0.9967
83	S	L	-0.9402
84	G	L	-1.2442
85	T	L	-1.8507
86	D	L	-2.0051
87	F	L	0.0000
88	T	L	-0.7358
89	L	L	0.0000
90	T	L	-0.6017
91	I	L	0.0000
92	S	L	-1.2532
93	S	L	-1.6771
94	L	L	0.0000
95	E	L	-2.2810
96	P	L	-1.3600
97	E	L	-1.9644
98	D	L	0.0000
99	F	L	-0.3197
100	A	L	0.0000
101	V	L	-0.1782
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	H	L	0.0000
107	S	L	-0.5242
108	R	L	-1.4920
109	D	L	-1.4918
114	L	L	-0.9371
115	P	L	-1.2923
116	L	L	0.0000
117	T	L	-0.2402
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.6464
121	G	L	-0.6453
122	T	L	0.0000
123	K	L	-0.7415
124	V	L	0.0000
125	E	L	0.0384
126	I	L	0.9142
127	K	L	-0.8293