Project name: Felmetatug

Chain sequence(s)	H: QLQLQESGPGLVKPSETLSLTCTVSGGSIKSGSYYWGWIRQPPGKGLEWIGNIYYSGSTYYNPSLRSRVTISVDTSKNQFSLKLSSVTAADTAVYYCAREGSYPNQFDPWGQGTLVTVSS; L: EIVMTQSPATLSVSPGERATLSCRASQSVSSNLAWYQQKPGQAPRLLIYGASTRATGIPARFSGSGSGTEFTLTISSLQSEDFAVYYCQQYHSFPFTFGGGTKVEIK
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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:09)

• Minimal score value: -3.3279
• Maximal score value: 1.1435
• Average score: -0.5542
• Total score value: -125.8016

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	-1.6963
2	L	H	-1.3921
3	Q	H	-2.1480
4	L	H	0.0000
5	Q	H	-1.8841
6	E	H	0.0000
7	S	H	-0.8807
8	G	H	-0.5143
9	P	H	-0.1607
11	G	H	0.2028
12	L	H	0.5456
13	V	H	0.0000
14	K	H	-1.7345
15	P	H	-1.4496
16	S	H	-1.4313
17	E	H	-2.0806
18	T	H	-1.4923
19	L	H	0.0000
20	S	H	-1.0135
21	L	H	0.0000
22	T	H	-0.6462
23	C	H	0.0000
24	T	H	-1.1700
25	V	H	0.0000
26	S	H	-1.3585
27	G	H	-1.3900
28	G	H	-1.2875
29	S	H	-1.3521
30	I	H	0.0000
31	K	H	-1.8251
34	S	H	-0.9791
35	G	H	-0.7344
36	S	H	-0.0949
37	Y	H	0.2715
38	Y	H	0.3845
39	W	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	I	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6472
45	P	H	-0.7851
46	P	H	-0.9098
47	G	H	-1.4636
48	K	H	-2.2523
49	G	H	-1.3688
50	L	H	0.0000
51	E	H	-0.6743
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	N	H	0.0000
56	I	H	0.0000
57	Y	H	0.3243
58	Y	H	-0.1825
59	S	H	-0.3541
63	G	H	-0.3130
64	S	H	0.0227
65	T	H	0.4796
66	Y	H	1.0913
67	Y	H	0.1572
68	N	H	0.0000
69	P	H	-0.8655
70	S	H	-1.0087
71	L	H	0.0000
72	R	H	-1.7862
74	S	H	-1.2436
75	R	H	-1.3243
76	V	H	0.0000
77	T	H	-0.8690
78	I	H	0.0000
79	S	H	-0.4212
80	V	H	-0.5700
81	D	H	-1.3838
82	T	H	-1.4412
83	S	H	-1.5238
84	K	H	-2.1452
85	N	H	-1.7735
86	Q	H	-1.4384
87	F	H	0.0000
88	S	H	-0.5906
89	L	H	0.0000
90	K	H	-1.6174
91	L	H	0.0000
92	S	H	-1.1609
93	S	H	-1.0916
94	V	H	0.0000
95	T	H	-0.5907
96	A	H	-0.2044
97	A	H	0.0556
98	D	H	0.0000
99	T	H	0.2254
100	A	H	0.0000
101	V	H	0.4146
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.3480
107	E	H	0.0000
108	G	H	0.0000
109	S	H	0.4654
110	Y	H	1.1435
112	P	H	0.3280
113	N	H	-0.0569
114	Q	H	0.0000
115	F	H	0.0000
116	D	H	-0.7480
117	P	H	-0.9400
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.9386
121	G	H	0.0000
122	T	H	-0.1134
123	L	H	0.8841
124	V	H	0.0000
125	T	H	0.2307
126	V	H	0.0000
127	S	H	-0.4924
128	S	H	-0.6204
1	E	L	-1.3973
2	I	L	-0.2505
3	V	L	0.7753
4	M	L	0.0000
5	T	L	-0.6629
6	Q	L	-0.7046
7	S	L	-0.7432
8	P	L	-0.3996
9	A	L	-0.3794
10	T	L	-0.5389
11	L	L	-0.4450
12	S	L	-0.6224
13	V	L	-1.1235
14	S	L	-1.8791
15	P	L	-1.9989
16	G	L	-2.1707
17	E	L	-3.3279
18	R	L	-2.9857
19	A	L	0.0000
20	T	L	-0.7285
21	L	L	0.0000
22	S	L	-0.9405
23	C	L	0.0000
24	R	L	-2.4430
25	A	L	0.0000
26	S	L	-0.9998
27	Q	L	-1.6849
28	S	L	-1.4776
29	V	L	0.0000
36	S	L	-0.9742
37	S	L	-0.8540
38	N	L	-0.7783
39	L	L	0.0000
40	A	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	-0.8490
46	P	L	-0.7616
47	G	L	-1.3252
48	Q	L	-1.9098
49	A	L	-1.2249
50	P	L	0.0000
51	R	L	-1.0173
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.1778
56	G	L	-0.3960
57	A	L	0.0000
65	S	L	-0.6502
66	T	L	-0.5792
67	R	L	-0.9816
68	A	L	-0.6576
69	T	L	-0.4517
70	G	L	-0.5478
71	I	L	-0.4243
72	P	L	-0.3153
74	A	L	-0.3127
75	R	L	-0.6998
76	F	L	0.0000
77	S	L	-0.4832
78	G	L	-0.4873
79	S	L	-0.6865
80	G	L	-1.1921
83	S	L	-1.1953
84	G	L	-1.3301
85	T	L	-1.8799
86	E	L	-2.3873
87	F	L	0.0000
88	T	L	-0.8175
89	L	L	0.0000
90	T	L	-0.6409
91	I	L	0.0000
92	S	L	-1.7051
93	S	L	-2.1583
94	L	L	0.0000
95	Q	L	-1.6998
96	S	L	-0.8001
97	E	L	-0.7379
98	D	L	0.0000
99	F	L	0.8682
100	A	L	0.0000
101	V	L	-0.1312
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	Y	L	0.0000
108	H	L	-0.7643
109	S	L	-0.4653
114	F	L	0.3322
115	P	L	0.0000
116	F	L	0.0000
117	T	L	-0.0062
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.7549
121	G	L	-0.7908
122	T	L	0.0000
123	K	L	-0.7827
124	V	L	0.0000
125	E	L	-0.7136
126	I	L	-0.8137
127	K	L	-1.8137