Project name: 4.28H2

Chain sequence(s)	H: EVKLVESGGGLVQPGGSLKLSCAASGFTFRDYYMYWVRQTPEKRLEWVAYISNGGGNTDYPDTVKGRFTISRDNAKNTLYLQMSRLNSEDTGMYYCARWRSMGDGSFVYATDYWGQGTSVTVSS; L: DVVMTQTPLSLPVSLGDQASISCRSSQSLVHTYGNTYLHWYLQKPGQSPKLLIYKVSNRFSGVPDRFSGSGSGTDFILKISRVEAEDLGIYFCSQSTHVPPTFGAGTKLELK
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                                          (00:01:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:27)

• Minimal score value: -3.1321
• Maximal score value: 1.2375
• Average score: -0.6332
• Total score value: -149.4311

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	-2.2889
2	V	H	-1.5811
3	K	H	-2.0563
4	L	H	0.0000
5	V	H	-0.0144
6	E	H	0.0000
7	S	H	-0.5227
8	G	H	-0.7834
9	G	H	-0.3563
11	G	H	0.3670
12	L	H	1.1562
13	V	H	0.0127
14	Q	H	-1.4472
15	P	H	-1.7768
16	G	H	-1.9481
17	G	H	-1.2928
18	S	H	-1.2105
19	L	H	-0.7003
20	K	H	-1.2693
21	L	H	0.0000
22	S	H	-0.3500
23	C	H	0.0000
24	A	H	-0.5070
25	A	H	0.0000
26	S	H	-1.3878
27	G	H	-1.4266
28	F	H	-1.1009
29	T	H	-1.2689
30	F	H	0.0000
35	R	H	-3.1321
36	D	H	-2.8149
37	Y	H	-1.3637
38	Y	H	-0.6722
39	M	H	0.0000
40	Y	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	0.0000
45	T	H	0.0000
46	P	H	-1.9642
47	E	H	-2.9630
48	K	H	-2.8293
49	R	H	-2.9462
50	L	H	0.0000
51	E	H	-0.8911
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	Y	H	-0.1113
56	I	H	0.0000
57	S	H	0.0000
58	N	H	-2.0001
59	G	H	-1.9235
62	G	H	-1.3598
63	G	H	-1.3614
64	N	H	-1.6860
65	T	H	-0.8841
66	D	H	-0.8643
67	Y	H	-0.8706
68	P	H	0.0000
69	D	H	-2.4866
70	T	H	-1.6337
71	V	H	0.0000
72	K	H	-2.5345
74	G	H	-1.7908
75	R	H	-1.7597
76	F	H	0.0000
77	T	H	-0.7664
78	I	H	0.0000
79	S	H	-0.3794
80	R	H	-1.2234
81	D	H	-1.6356
82	N	H	-2.3002
83	A	H	-1.5323
84	K	H	-2.2130
85	N	H	-1.9892
86	T	H	-1.1885
87	L	H	0.0000
88	Y	H	-0.3212
89	L	H	0.0000
90	Q	H	-0.8925
91	M	H	0.0000
92	S	H	-1.5510
93	R	H	-2.4558
94	L	H	0.0000
95	N	H	-2.1931
96	S	H	-1.7267
97	E	H	-2.2335
98	D	H	0.0000
99	T	H	-0.6800
100	G	H	-0.9797
101	M	H	-0.1751
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	W	H	0.0000
108	R	H	-0.1227
109	S	H	-0.5871
110	M	H	-0.5490
111	G	H	-1.4979
111A	D	H	-2.0527
111B	G	H	-1.2385
112B	S	H	-0.5011
112A	F	H	-0.0324
112	V	H	0.0000
113	Y	H	0.1597
114	A	H	0.0000
115	T	H	0.0000
116	D	H	0.0000
117	Y	H	-0.3242
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.1849
121	G	H	0.0000
122	T	H	0.0000
123	S	H	-0.1993
124	V	H	0.0000
125	T	H	-0.1261
126	V	H	0.0000
127	S	H	-0.7601
128	S	H	-0.6743
1	D	L	-1.2380
2	V	L	0.0000
3	V	L	0.7728
4	M	L	0.0000
5	T	L	-0.1798
6	Q	L	0.0000
7	T	L	0.1321
8	P	L	0.4169
9	L	L	1.2375
10	S	L	0.1074
11	L	L	-0.2240
12	P	L	-1.0293
13	V	L	0.0000
14	S	L	-0.8011
15	L	L	-0.1058
16	G	L	-1.4199
17	D	L	-1.6354
18	Q	L	-2.1794
19	A	L	0.0000
20	S	L	-0.6413
21	I	L	0.0000
22	S	L	-0.4721
23	C	L	0.0000
24	R	L	-2.1138
25	S	L	0.0000
26	S	L	-0.9512
27	Q	L	-1.5076
28	S	L	-0.8325
29	L	L	0.0000
30	V	L	0.8030
31	H	L	0.5207
32	T	L	0.5840
34	Y	L	1.1494
35	G	L	0.3703
36	N	L	0.3036
37	T	L	0.2226
38	Y	L	0.0000
39	L	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	L	L	0.0000
44	Q	L	-0.9956
45	K	L	-1.3941
46	P	L	-0.8173
47	G	L	-1.1520
48	Q	L	-1.5448
49	S	L	0.0000
50	P	L	0.0000
51	K	L	-1.4459
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.4896
56	K	L	-0.5068
57	V	L	-0.4604
65	S	L	-0.7318
66	N	L	-1.1109
67	R	L	-1.5455
68	F	L	-0.7330
69	S	L	-0.5599
70	G	L	-0.7920
71	V	L	-0.9569
72	P	L	-1.2295
74	D	L	-2.3553
75	R	L	-2.0606
76	F	L	0.0000
77	S	L	-1.1086
78	G	L	0.0000
79	S	L	-0.5131
80	G	L	-0.6919
83	S	L	-0.5439
84	G	L	-0.6297
85	T	L	-1.3457
86	D	L	-1.7384
87	F	L	0.0000
88	I	L	-0.3451
89	L	L	0.0000
90	K	L	-1.3299
91	I	L	0.0000
92	S	L	-2.4322
93	R	L	-2.9162
94	V	L	0.0000
95	E	L	-1.6031
96	A	L	-1.0967
97	E	L	-2.0389
98	D	L	0.0000
99	L	L	-0.7374
100	G	L	0.0000
101	I	L	-0.2826
102	Y	L	0.0000
103	F	L	0.0000
104	C	L	0.0000
105	S	L	0.0000
106	Q	L	0.0000
107	S	L	0.2953
108	T	L	0.1865
109	H	L	0.1179
114	V	L	1.1779
115	P	L	0.1447
116	P	L	0.0000
117	T	L	0.2616
118	F	L	0.0573
119	G	L	0.0000
120	A	L	-0.4709
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.6950
124	L	L	0.0000
125	E	L	-0.9703
126	L	L	-0.4606
127	K	L	-1.4056