Project name: 23.E1E1

Chain sequence(s)	H: QVQLQQPGAELVKPGASVKLSCKASGYTFTTFWMHWVKQRPGRGLEWIGRIVPNSGETTYNEKFKSKATLTADKSSSTAYMRLSSLTSEDSAVYYCARPDYWGQGTTLTVSS; L: DIQMTQSPSSLSASLGERVSLTCRASQKINGFLSWLQQKPDGTIKRLINAAVILDSGVPKRFSGSRSGSDYSLTISSLESEDFADYYCLQYATYPWTFGGGTKLEIK
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                                          (00:01:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:35)

• Minimal score value: -3.4021
• Maximal score value: 2.7947
• Average score: -0.6558
• Total score value: -143.6189

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	-1.5049
2	V	H	-0.8835
3	Q	H	-1.7076
4	L	H	0.0000
5	Q	H	-2.0622
6	Q	H	0.0000
7	P	H	-0.9752
8	G	H	-0.9201
9	A	H	-0.2466
11	E	H	-0.3386
12	L	H	0.8315
13	V	H	-0.2572
14	K	H	-1.6447
15	P	H	-1.3255
16	G	H	-1.0977
17	A	H	-0.8638
18	S	H	-1.3016
19	V	H	0.0000
20	K	H	-2.4258
21	L	H	0.0000
22	S	H	-1.0326
23	C	H	0.0000
24	K	H	-1.7488
25	A	H	0.0000
26	S	H	-1.2417
27	G	H	-1.0271
28	Y	H	-0.3172
29	T	H	-0.2499
30	F	H	0.0000
35	T	H	-0.8278
36	T	H	0.1049
37	F	H	0.8102
38	W	H	0.3017
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	-0.9730
45	R	H	-1.6404
46	P	H	-1.2349
47	G	H	-1.6204
48	R	H	-2.5000
49	G	H	-1.4883
50	L	H	0.0000
51	E	H	-0.9895
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	R	H	-0.1598
56	I	H	0.0000
57	V	H	-0.6087
58	P	H	0.0000
59	N	H	-1.9489
62	S	H	-1.4869
63	G	H	-1.8187
64	E	H	-1.8689
65	T	H	-0.7892
66	T	H	-0.5787
67	Y	H	-1.1189
68	N	H	-2.0613
69	E	H	-3.4021
70	K	H	-3.2029
71	F	H	0.0000
72	K	H	-2.9808
74	S	H	-1.7781
75	K	H	-1.6434
76	A	H	0.0000
77	T	H	-1.1513
78	L	H	0.0000
79	T	H	-0.9606
80	A	H	-1.1025
81	D	H	-1.8539
82	K	H	-2.4700
83	S	H	-1.2908
84	S	H	-1.0700
85	S	H	-1.2327
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.8134
89	M	H	0.0000
90	R	H	-2.2271
91	L	H	0.0000
92	S	H	-1.0538
93	S	H	-0.7760
94	L	H	0.0000
95	T	H	-1.2407
96	S	H	-1.4523
97	E	H	-2.0203
98	D	H	0.0000
99	S	H	-0.6944
100	A	H	0.0000
101	V	H	-0.1098
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	P	H	0.1661
116	D	H	-0.1958
117	Y	H	0.1978
118	W	H	-0.2843
119	G	H	0.0000
120	Q	H	-1.2964
121	G	H	0.0000
122	T	H	0.0000
123	T	H	-0.1879
124	L	H	0.0000
125	T	H	-0.1611
126	V	H	0.0000
127	S	H	-0.6407
128	S	H	-0.7693
1	D	L	-2.2418
2	I	L	0.0000
3	Q	L	-2.1719
4	M	L	0.0000
5	T	L	-1.3273
6	Q	L	-1.0788
7	S	L	-0.7218
8	P	L	-0.5823
9	S	L	-0.8432
10	S	L	-1.1289
11	L	L	-0.5774
12	S	L	-0.7986
13	A	L	0.0000
14	S	L	-0.5388
15	L	L	0.0976
16	G	L	-1.0878
17	E	L	-1.7632
18	R	L	-2.2896
19	V	L	0.0000
20	S	L	-0.5991
21	L	L	0.0000
22	T	L	-0.9102
23	C	L	0.0000
24	R	L	-2.9095
25	A	L	0.0000
26	S	L	-2.2092
27	Q	L	-2.9216
28	K	L	-2.8981
29	I	L	0.0000
36	N	L	-1.8336
37	G	L	-0.2486
38	F	L	1.0134
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	-1.5039
46	P	L	-1.3559
47	D	L	-2.1893
48	G	L	-1.4196
49	T	L	-1.1207
50	I	L	0.0000
51	K	L	-0.9541
52	R	L	-0.6906
53	L	L	0.0000
54	I	L	0.0000
55	N	L	1.1306
56	A	L	1.2750
57	A	L	0.0000
65	V	L	2.5171
66	I	L	2.7947
67	L	L	1.0740
68	D	L	-0.0708
69	S	L	-0.2925
70	G	L	-0.8360
71	V	L	0.0000
72	P	L	-1.1329
74	K	L	-1.9286
75	R	L	-1.5425
76	F	L	0.0000
77	S	L	0.0685
78	G	L	0.5861
79	S	L	-0.2698
80	R	L	-1.8585
83	S	L	-1.4855
84	G	L	-1.6647
85	S	L	-2.2361
86	D	L	-2.0592
87	Y	L	0.0000
88	S	L	-0.7582
89	L	L	0.0000
90	T	L	-0.6396
91	I	L	0.0000
92	S	L	-1.5564
93	S	L	-1.4590
94	L	L	0.0000
95	E	L	-1.7498
96	S	L	-1.0276
97	E	L	-1.9409
98	D	L	0.0000
99	F	L	-0.8213
100	A	L	0.0000
101	D	L	-1.2516
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	0.7980
108	A	L	0.1589
109	T	L	0.1303
114	Y	L	0.5042
115	P	L	-0.3527
116	W	L	0.0732
117	T	L	-0.4062
118	F	L	-0.2077
119	G	L	0.0000
120	G	L	-1.2019
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.9996
124	L	L	0.0000
125	E	L	-1.3162
126	I	L	0.6459
127	K	L	-0.9684