Project name: 4-24E5

Chain sequence(s)	H: EVKLVESGGGLVQPGGSLKLSCATSGFTFSDYYMYWVRQTPEKRLEWVAYISNGGGNTYYPDTVKGRFTISRDNGKNTLYLQMSRLKSEDTAMYYCARGGYGTSWFAYWGQGTLVTVSA; L: DIVLTQSPASLAVSLGQRATISCRASKSVSTSAYSYMHWYQQKPGQPPKLLIYLASNLESGVPARFSGSGSGTDFTLNIHPVEEEDAATYYCQHSRELPWTFGGGTKLEIK
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                                          (00:01:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:00)

• Minimal score value: -3.615
• Maximal score value: 1.6786
• Average score: -0.6826
• Total score value: -156.9921

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	-2.2019
2	V	H	-1.3336
3	K	H	-1.7814
4	L	H	0.0000
5	V	H	0.0818
6	E	H	0.0000
7	S	H	-0.3326
8	G	H	-0.6468
9	G	H	0.1789
11	G	H	0.7089
12	L	H	1.4673
13	V	H	-0.0140
14	Q	H	-1.4781
15	P	H	-1.9801
16	G	H	-2.1487
17	G	H	-1.6314
18	S	H	-1.3988
19	L	H	-0.9695
20	K	H	-1.7973
21	L	H	0.0000
22	S	H	-0.4590
23	C	H	0.0000
24	A	H	-0.4849
25	T	H	0.0000
26	S	H	-1.3069
27	G	H	-1.3095
28	F	H	-0.8221
29	T	H	-0.8187
30	F	H	0.0000
35	S	H	-1.7256
36	D	H	-1.8966
37	Y	H	-0.3002
38	Y	H	0.3706
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	-2.0468
46	P	H	-2.1647
47	E	H	-3.3431
48	K	H	-3.6150
49	R	H	-3.4262
50	L	H	0.0000
51	E	H	-0.8343
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	Y	H	0.0000
56	I	H	0.0000
57	S	H	-0.7963
58	N	H	-1.4663
59	G	H	-1.5199
62	G	H	-1.1687
63	G	H	-1.3289
64	N	H	-1.3176
65	T	H	-0.2616
66	Y	H	0.0570
67	Y	H	-0.6045
68	P	H	0.0000
69	D	H	-2.4557
70	T	H	-1.6860
71	V	H	0.0000
72	K	H	-2.5350
74	G	H	-1.9139
75	R	H	-2.0115
76	F	H	0.0000
77	T	H	-0.7576
78	I	H	0.0000
79	S	H	-0.5784
80	R	H	-1.1286
81	D	H	-1.6776
82	N	H	-2.2506
83	G	H	-1.9185
84	K	H	-2.6134
85	N	H	-2.0461
86	T	H	-1.2107
87	L	H	0.0000
88	Y	H	-0.4510
89	L	H	0.0000
90	Q	H	-1.2495
91	M	H	0.0000
92	S	H	-1.8299
93	R	H	-2.7593
94	L	H	0.0000
95	K	H	-2.8442
96	S	H	-1.9642
97	E	H	-2.4246
98	D	H	0.0000
99	T	H	-0.4461
100	A	H	0.0000
101	M	H	0.4544
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	G	H	0.0000
108	G	H	0.7627
109	Y	H	1.1854
110	G	H	0.1276
112	T	H	0.2720
113	S	H	0.1888
114	W	H	0.0000
115	F	H	0.0000
116	A	H	0.2959
117	Y	H	0.2590
118	W	H	-0.2510
119	G	H	0.0000
120	Q	H	-1.3990
121	G	H	0.0000
122	T	H	0.4538
123	L	H	1.6786
124	V	H	0.0000
125	T	H	0.3245
126	V	H	0.0000
127	S	H	-0.4850
128	A	H	-0.3240
1	D	L	-1.7485
2	I	L	0.0000
3	V	L	0.6912
4	L	L	0.0000
5	T	L	-0.6370
6	Q	L	-0.7140
7	S	L	-0.6542
8	P	L	-0.4301
9	A	L	-0.4774
10	S	L	-0.8557
11	L	L	-0.4708
12	A	L	-1.0525
13	V	L	0.0000
14	S	L	-1.7342
15	L	L	-1.3058
16	G	L	-1.8432
17	Q	L	-2.4634
18	R	L	-2.6814
19	A	L	0.0000
20	T	L	-0.6207
21	I	L	0.0000
22	S	L	-0.9136
23	C	L	0.0000
24	R	L	-2.3567
25	A	L	0.0000
26	S	L	-1.0564
27	K	L	-1.8298
28	S	L	-1.3349
29	V	L	0.0000
30	S	L	-0.0350
31	T	L	0.1689
34	S	L	0.1077
35	A	L	0.5503
36	Y	L	1.2656
37	S	L	0.5336
38	Y	L	0.3937
39	M	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-1.2462
45	K	L	-1.3785
46	P	L	-0.9477
47	G	L	-1.2921
48	Q	L	-1.7859
49	P	L	-1.2036
50	P	L	0.0000
51	K	L	-1.2467
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.2450
56	L	L	0.5375
57	A	L	0.0000
65	S	L	-0.2562
66	N	L	-0.4124
67	L	L	0.0247
68	E	L	-0.5212
69	S	L	-0.5631
70	G	L	-0.5915
71	V	L	0.0000
72	P	L	-0.2357
74	A	L	-0.2074
75	R	L	-0.8055
76	F	L	0.0000
77	S	L	-0.4327
78	G	L	-0.3617
79	S	L	-0.7428
80	G	L	-1.1643
83	S	L	-0.7910
84	G	L	-0.9602
85	T	L	-1.7086
86	D	L	-2.0731
87	F	L	0.0000
88	T	L	-0.8217
89	L	L	0.0000
90	N	L	-0.8560
91	I	L	0.0000
92	H	L	-2.0352
93	P	L	-1.8434
94	V	L	0.0000
95	E	L	-2.6803
96	E	L	-3.3175
97	E	L	-2.8111
98	D	L	0.0000
99	A	L	-1.8539
100	A	L	0.0000
101	T	L	-1.1315
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	H	L	0.0000
107	S	L	0.0000
108	R	L	-1.2696
109	E	L	-1.6710
114	L	L	-0.5100
115	P	L	-0.5685
116	W	L	-0.2714
117	T	L	-0.1000
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.2680
121	G	L	-1.2574
122	T	L	0.0000
123	K	L	-1.5812
124	L	L	0.0000
125	E	L	-2.3829
126	I	L	-1.9221
127	K	L	-2.1384