Project name: P2F2

Chain sequence(s)	H: QVQLQQSGAGLVKPGASVKLSCKASGYTFTNYWIHWVKQRPGQGLEWIGMIHPNSGGTNDNARFKSKATLTVDESSTTAYMQLSSLTSEDSAVYYCARSSGYNYFDYWGQGTSLTVSS; L: DIVLTQAAFSNPVTLGTSASISCRSSKSLLHSNGITYLYWYLQKPGQSPQLLIYQMSNLASGVPDRFSSSGSGTDFTLRISRVEAEDVGVYYCAQNLELPWTFGGGTRLEIK
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                                          (00:01:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:16)

• Minimal score value: -2.6051
• Maximal score value: 1.2347
• Average score: -0.5741
• Total score value: -132.0463

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	-1.5036
2	V	H	-1.0904
3	Q	H	-1.7904
4	L	H	0.0000
5	Q	H	-2.0517
6	Q	H	0.0000
7	S	H	-0.9304
8	G	H	-0.7949
9	A	H	0.1491
11	G	H	0.5652
12	L	H	1.2347
13	V	H	-0.0052
14	K	H	-1.5857
15	P	H	-1.4846
16	G	H	-1.0679
17	A	H	-0.8203
18	S	H	-0.8462
19	V	H	-0.5014
20	K	H	-1.1894
21	L	H	0.0000
22	S	H	-0.6373
23	C	H	0.0000
24	K	H	-1.3734
25	A	H	0.0000
26	S	H	-1.1423
27	G	H	-1.0425
28	Y	H	-0.5531
29	T	H	-0.5503
30	F	H	0.0000
35	T	H	-1.4174
36	N	H	-1.4244
37	Y	H	-0.4212
38	W	H	-0.0792
39	I	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	0.0000
44	Q	H	-0.8431
45	R	H	-1.4656
46	P	H	-1.0720
47	G	H	-1.3402
48	Q	H	-1.9182
49	G	H	-1.2224
50	L	H	0.0000
51	E	H	-1.0924
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	M	H	0.0000
56	I	H	0.0000
57	H	H	-0.8133
58	P	H	0.0000
59	N	H	-2.1033
62	S	H	-1.3848
63	G	H	-1.0782
64	G	H	-0.7733
65	T	H	-0.6681
66	N	H	-1.0880
67	D	H	-1.5078
68	N	H	-1.4997
69	A	H	-1.6939
70	R	H	-2.5158
71	F	H	0.0000
72	K	H	-2.6051
74	S	H	-1.5509
75	K	H	-1.3838
76	A	H	0.0000
77	T	H	-0.8795
78	L	H	0.0000
79	T	H	-0.3718
80	V	H	-0.7346
81	D	H	-1.5706
82	E	H	-2.4463
83	S	H	-1.2618
84	S	H	-1.0234
85	T	H	-1.1555
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.1766
89	M	H	0.0000
90	Q	H	-0.9827
91	L	H	0.0000
92	S	H	-0.6896
93	S	H	-0.7687
94	L	H	0.0000
95	T	H	-1.2872
96	S	H	-1.4253
97	E	H	-2.0339
98	D	H	0.0000
99	S	H	-0.5933
100	A	H	0.0000
101	V	H	0.0540
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	S	H	0.0000
108	S	H	0.0774
109	G	H	-0.1172
110	Y	H	0.7626
113	N	H	0.2735
114	Y	H	0.2880
115	F	H	0.0000
116	D	H	-0.0054
117	Y	H	0.0018
118	W	H	-0.4394
119	G	H	0.0000
120	Q	H	-1.8498
121	G	H	-0.9296
122	T	H	0.0000
123	S	H	-0.0374
124	L	H	0.0000
125	T	H	0.0458
126	V	H	0.0000
127	S	H	-0.5003
128	S	H	-0.6722
1	D	L	-1.5123
2	I	L	0.0000
3	V	L	0.6570
4	L	L	0.0000
5	T	L	-0.5839
6	Q	L	-0.4832
7	A	L	0.3460
8	A	L	0.6908
9	F	L	1.1202
10	S	L	-0.2971
11	N	L	-1.4472
12	P	L	-1.3581
13	V	L	0.0000
14	T	L	-0.8294
15	L	L	0.0161
16	G	L	-0.7999
17	T	L	-0.6159
18	S	L	-1.1458
19	A	L	0.0000
20	S	L	-1.2412
21	I	L	0.0000
22	S	L	-1.1207
23	C	L	0.0000
24	R	L	-2.2094
25	S	L	0.0000
26	S	L	-0.9873
27	K	L	-1.5514
28	S	L	-0.8296
29	L	L	0.0000
30	L	L	0.3522
31	H	L	-0.6709
32	S	L	-0.9456
34	N	L	-1.3940
35	G	L	-0.7804
36	I	L	-0.0026
37	T	L	0.0000
38	Y	L	0.0000
39	L	L	0.0000
40	Y	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	L	L	0.0000
44	Q	L	-0.8138
45	K	L	-1.2391
46	P	L	-0.8824
47	G	L	-1.4109
48	Q	L	-2.0083
49	S	L	-1.2516
50	P	L	0.0000
51	Q	L	-0.8274
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.3218
56	Q	L	0.0000
57	M	L	0.1125
65	S	L	-0.2917
66	N	L	-0.3253
67	L	L	-0.0069
68	A	L	0.0000
69	S	L	-0.3916
70	G	L	-0.5868
71	V	L	-0.5116
72	P	L	-0.9380
74	D	L	-1.9180
75	R	L	0.0000
76	F	L	0.0000
77	S	L	-1.3273
78	S	L	-0.8577
79	S	L	-0.8812
80	G	L	-0.8528
83	S	L	-0.5766
84	G	L	-0.5172
85	T	L	-1.2551
86	D	L	-1.7557
87	F	L	0.0000
88	T	L	-1.1722
89	L	L	0.0000
90	R	L	-2.2687
91	I	L	0.0000
92	S	L	-1.7182
93	R	L	-1.9555
94	V	L	0.0000
95	E	L	-1.7205
96	A	L	-1.3277
97	E	L	-1.9834
98	D	L	0.0000
99	V	L	-0.6719
100	G	L	-0.7711
101	V	L	-0.0233
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	A	L	0.0000
106	Q	L	0.0000
107	N	L	0.0000
108	L	L	-0.0782
109	E	L	-0.9602
114	L	L	-0.1386
115	P	L	-0.4825
116	W	L	0.0000
117	T	L	-0.0690
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.6808
121	G	L	0.0000
122	T	L	0.0000
123	R	L	-0.4349
124	L	L	0.0000
125	E	L	-1.6575
126	I	L	-1.1817
127	K	L	-1.7110