Project name: P2F3

Chain sequence(s)	H: EVQLQQSGAELVKPGASVKLSCKASGYTFTNYWMHWVKQRPGRGLEWIGRIDPDNGDTKNNEKFTSKATLTVDKPSSTAYMQLSSLTSEDSAVYYCARRAYYSKNALDYWGQGTSVTVSS; L: DIVLTQSPASLAVSLGQRATISCRASESVDNYGISFMHWYQQKPGQPPKLLIYRASNLESGIPARFSGSGSRTDFTLTINPVETDDVATYYCQQSNKDPWTFGGGTKLEIK
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                                          (00:01:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:15)

• Minimal score value: -3.093
• Maximal score value: 1.564
• Average score: -0.7156
• Total score value: -165.3107

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	-2.1597
2	V	H	-1.4111
3	Q	H	-2.1349
4	L	H	0.0000
5	Q	H	-2.1877
6	Q	H	0.0000
7	S	H	-0.9822
8	G	H	-0.6883
9	A	H	0.0527
11	E	H	0.0825
12	L	H	1.0643
13	V	H	-0.0537
14	K	H	-1.6308
15	P	H	-1.3179
16	G	H	-1.0804
17	A	H	-0.8480
18	S	H	-0.8770
19	V	H	-0.5811
20	K	H	-1.1571
21	L	H	0.0000
22	S	H	-0.6691
23	C	H	0.0000
24	K	H	-1.7624
25	A	H	0.0000
26	S	H	-1.3988
27	G	H	-1.2461
28	Y	H	-0.6712
29	T	H	-0.5008
30	F	H	0.0000
35	T	H	-1.6258
36	N	H	-1.0927
37	Y	H	0.0025
38	W	H	-0.2246
39	M	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	-1.0054
45	R	H	-1.6010
46	P	H	-1.2162
47	G	H	-1.6364
48	R	H	-2.5248
49	G	H	-1.5238
50	L	H	0.0000
51	E	H	-1.1893
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	R	H	-0.9301
56	I	H	0.0000
57	D	H	-1.5948
58	P	H	0.0000
59	D	H	-2.9891
62	N	H	-2.3915
63	G	H	-1.7396
64	D	H	-1.5907
65	T	H	-1.2214
66	K	H	-1.9326
67	N	H	-1.9375
68	N	H	-2.2963
69	E	H	-3.0930
70	K	H	-2.8382
71	F	H	0.0000
72	T	H	-1.6417
74	S	H	-1.0629
75	K	H	-1.1113
76	A	H	0.0000
77	T	H	-0.6329
78	L	H	0.0000
79	T	H	-0.2104
80	V	H	-0.6860
81	D	H	-1.2162
82	K	H	-1.8104
83	P	H	-0.9162
84	S	H	-0.8578
85	S	H	-0.9750
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.2330
89	M	H	0.0000
90	Q	H	-0.9846
91	L	H	0.0000
92	S	H	-0.7060
93	S	H	-0.7920
94	L	H	0.0000
95	T	H	-1.2560
96	S	H	-1.4516
97	E	H	-2.0128
98	D	H	0.0000
99	S	H	-0.6328
100	A	H	0.0000
101	V	H	0.0474
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	A	H	0.0000
109	Y	H	1.5335
110	Y	H	1.5640
111	S	H	0.4924
112	K	H	0.1777
113	N	H	0.1802
114	A	H	0.0000
115	L	H	0.0000
116	D	H	-0.2822
117	Y	H	0.0475
118	W	H	-0.6199
119	G	H	0.0000
120	Q	H	-1.8842
121	G	H	-1.0334
122	T	H	0.0000
123	S	H	-0.1256
124	V	H	0.0000
125	T	H	-0.0388
126	V	H	0.0000
127	S	H	-0.5055
128	S	H	-0.6616
1	D	L	-2.0980
2	I	L	0.0000
3	V	L	0.5396
4	L	L	0.0000
5	T	L	-0.5882
6	Q	L	-0.6769
7	S	L	-0.6462
8	P	L	-0.5199
9	A	L	-0.6215
10	S	L	-1.0382
11	L	L	-0.7709
12	A	L	-0.7908
13	V	L	0.0000
14	S	L	-1.2301
15	L	L	-0.5129
16	G	L	-1.4031
17	Q	L	-2.5368
18	R	L	-2.8421
19	A	L	0.0000
20	T	L	-0.6359
21	I	L	0.0000
22	S	L	-0.8627
23	C	L	0.0000
24	R	L	-2.5900
25	A	L	0.0000
26	S	L	-1.3404
27	E	L	-2.7311
28	S	L	-2.4383
29	V	L	0.0000
30	D	L	-1.3094
31	N	L	-0.6328
34	Y	L	0.9386
35	G	L	0.0012
36	I	L	0.2995
37	S	L	-0.5596
38	F	L	-0.4752
39	M	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.8856
44	Q	L	-1.2110
45	K	L	-1.4526
46	P	L	-0.9915
47	G	L	-1.4423
48	Q	L	-2.1120
49	P	L	-1.3868
50	P	L	0.0000
51	K	L	-1.4928
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.2797
56	R	L	-0.3518
57	A	L	0.0000
65	S	L	-0.4827
66	N	L	-0.5697
67	L	L	0.0001
68	E	L	-0.4458
69	S	L	-0.4627
70	G	L	-0.4798
71	I	L	-0.2792
72	P	L	-0.1984
74	A	L	-0.2227
75	R	L	-0.8378
76	F	L	0.0000
77	S	L	-0.4075
78	G	L	-0.4110
79	S	L	-0.7623
80	G	L	-1.4229
83	S	L	-1.6835
84	R	L	-2.8704
85	T	L	-2.5734
86	D	L	-2.3377
87	F	L	0.0000
88	T	L	-0.7516
89	L	L	0.0000
90	T	L	-0.7844
91	I	L	0.0000
92	N	L	-2.0483
93	P	L	-1.8158
94	V	L	0.0000
95	E	L	-1.6573
96	T	L	-1.1944
97	D	L	-1.7677
98	D	L	0.0000
99	V	L	-0.4034
100	A	L	0.0000
101	T	L	-1.0170
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	S	L	0.0000
108	N	L	-1.5298
109	K	L	-2.7561
114	D	L	-2.3110
115	P	L	-2.2253
116	W	L	0.0000
117	T	L	-0.4128
118	F	L	0.1730
119	G	L	0.0000
120	G	L	-0.9202
121	G	L	-1.0725
122	T	L	0.0000
123	K	L	-1.9927
124	L	L	0.0000
125	E	L	-1.6530
126	I	L	-0.7663
127	K	L	-1.6293