Project name: 2510-1

Chain sequence(s)	H: EVQLQQSGPELVKPGASVKMSCKASGYTFTSYVMHWLKQKPGQGLEWIGYINPYNDGTKYNEKFKGKATLTSDKSSSTAYMELSSLTSEDSAVYYCARGSGFVYWGQGTLVTVSS; L: DVQMTQSPSSLSASLGERVSLTCRASQEISGYLSWLQQKPDGTIKRLIYAASTLDSGVPKRFSGSRSGSDYSLTISSLESEDFADYYCLQYASYPYTFGGGTKLEIK
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:35)

• Minimal score value: -3.4717
• Maximal score value: 1.132
• Average score: -0.6439
• Total score value: -142.9497

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	-2.1620
2	V	H	-1.2805
3	Q	H	-2.1428
4	L	H	0.0000
5	Q	H	-2.1368
6	Q	H	0.0000
7	S	H	-0.9368
8	G	H	-0.6198
9	P	H	0.1580
11	E	H	0.3271
12	L	H	1.1320
13	V	H	-0.1443
14	K	H	-1.6297
15	P	H	-1.3284
16	G	H	-1.1091
17	A	H	-0.8861
18	S	H	-1.1391
19	V	H	0.0000
20	K	H	-1.8442
21	M	H	0.0000
22	S	H	-0.8645
23	C	H	0.0000
24	K	H	-1.5141
25	A	H	0.0000
26	S	H	-1.3664
27	G	H	-1.2526
28	Y	H	-0.4749
29	T	H	-0.0541
30	F	H	0.0000
35	T	H	-0.0102
36	S	H	0.3804
37	Y	H	0.7229
38	V	H	0.3572
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	L	H	0.0000
43	K	H	-0.7766
44	Q	H	-1.4042
45	K	H	-2.6084
46	P	H	-1.6939
47	G	H	-1.6550
48	Q	H	-2.3254
49	G	H	-1.5458
50	L	H	0.0000
51	E	H	-1.1199
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	Y	H	-0.2099
56	I	H	0.0000
57	N	H	-0.4794
58	P	H	0.0000
59	Y	H	0.2465
62	N	H	-1.1979
63	D	H	-1.5993
64	G	H	-1.0948
65	T	H	-0.9434
66	K	H	-1.3395
67	Y	H	-1.3922
68	N	H	0.0000
69	E	H	-3.4717
70	K	H	-3.1809
71	F	H	0.0000
72	K	H	-3.1584
74	G	H	-1.9214
75	K	H	-1.7508
76	A	H	0.0000
77	T	H	-1.0273
78	L	H	0.0000
79	T	H	-0.7183
80	S	H	-0.9127
81	D	H	-1.3186
82	K	H	-1.4116
83	S	H	-0.9625
84	S	H	-0.8422
85	S	H	-0.9521
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.5781
89	M	H	0.0000
90	E	H	-1.5923
91	L	H	0.0000
92	S	H	-0.9841
93	S	H	-0.8602
94	L	H	0.0000
95	T	H	-1.2538
96	S	H	-1.4538
97	E	H	-2.2153
98	D	H	0.0000
99	S	H	-0.7492
100	A	H	0.0000
101	V	H	-0.0431
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.2227
107	G	H	0.0000
108	S	H	0.2072
114	G	H	0.0000
115	F	H	0.0000
116	V	H	0.5105
117	Y	H	0.3054
118	W	H	-0.3374
119	G	H	0.0000
120	Q	H	-1.6942
121	G	H	-0.6022
122	T	H	0.0000
123	L	H	0.7576
124	V	H	0.0000
125	T	H	0.1850
126	V	H	0.0000
127	S	H	-0.5087
128	S	H	-0.7424
1	D	L	-2.3741
2	V	L	0.0000
3	Q	L	-2.2478
4	M	L	0.0000
5	T	L	-1.3107
6	Q	L	-1.0428
7	S	L	-0.7111
8	P	L	-0.5408
9	S	L	-0.7709
10	S	L	-0.9348
11	L	L	-0.4509
12	S	L	-0.6057
13	A	L	0.0000
14	S	L	-0.4509
15	L	L	0.4778
16	G	L	-0.9992
17	E	L	-1.9758
18	R	L	-2.4688
19	V	L	0.0000
20	S	L	-0.6109
21	L	L	0.0000
22	T	L	-0.8711
23	C	L	0.0000
24	R	L	-2.8521
25	A	L	0.0000
26	S	L	-2.2818
27	Q	L	-2.9133
28	E	L	-2.6546
29	I	L	0.0000
36	S	L	-0.6889
37	G	L	0.0466
38	Y	L	1.0681
39	L	L	0.0000
40	S	L	0.0000
41	W	L	0.0000
42	L	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.6175
46	P	L	-1.4216
47	D	L	-2.2769
48	G	L	-1.5525
49	T	L	-1.3214
50	I	L	0.0000
51	K	L	-0.6637
52	R	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.7159
56	A	L	0.6048
57	A	L	0.0000
65	S	L	-0.2285
66	T	L	0.0349
67	L	L	-0.2133
68	D	L	-0.4716
69	S	L	-0.4971
70	G	L	-0.8347
71	V	L	0.0000
72	P	L	-1.1770
74	K	L	-1.9911
75	R	L	-1.5767
76	F	L	0.0000
77	S	L	-0.7571
78	G	L	-0.4612
79	S	L	-0.9560
80	R	L	-1.7131
83	S	L	-1.3106
84	G	L	-1.4388
85	S	L	-1.9505
86	D	L	-1.6953
87	Y	L	0.0000
88	S	L	-0.8670
89	L	L	0.0000
90	T	L	-0.6870
91	I	L	0.0000
92	S	L	-1.7969
93	S	L	-1.3305
94	L	L	0.0000
95	E	L	-1.1037
96	S	L	-0.9657
97	E	L	-2.1832
98	D	L	0.0000
99	F	L	-0.7036
100	A	L	0.0000
101	D	L	-1.1605
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	L	L	0.0000
106	Q	L	0.0000
107	Y	L	0.7175
108	A	L	0.1397
109	S	L	-0.2961
114	Y	L	-0.1623
115	P	L	-0.7907
116	Y	L	-0.0858
117	T	L	-0.5034
118	F	L	-0.2538
119	G	L	0.0000
120	G	L	-1.1272
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.6834
124	L	L	0.0000
125	E	L	-1.0955
126	I	L	0.7297
127	K	L	-0.7924