Project name: des17_delL_VQ3L_LE11H

Chain sequence(s)	H: EVQLVESGGGEEQPGGSLRLSCAGSGFDLSKGAMTWVRQAPGKGLEWVSSITRSGKGTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCALTNSLTSSGIGIGSMYGWGQGTTVTVSSAS; L: DIQMTQSPLSLPVTPGEPASISSKTSDSYGNSYVGWYLQKSGQSPQLLIYRASIRAGGVPDRFSGSGSGTDFTLKISRVEAEDVGFYYVVDTKTYPIGFGQGTKLEIKRTV
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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:46)

• Minimal score value: -3.4825
• Maximal score value: 1.0864
• Average score: -0.8091
• Total score value: -192.5703

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	-1.6095
2	V	H	-0.4748
3	Q	H	-0.9995
4	L	H	0.0000
5	V	H	0.3759
6	E	H	0.0000
7	S	H	-0.5339
8	G	H	-1.2133
9	G	H	-1.1752
10	G	H	-1.5336
11	E	H	-2.5451
12	E	H	-2.3701
13	Q	H	-2.3963
14	P	H	-2.0937
15	G	H	-1.5132
16	G	H	-1.4935
17	S	H	-1.5959
18	L	H	-1.5260
19	R	H	-2.1476
20	L	H	0.0000
21	S	H	-0.4599
22	C	H	0.0000
23	A	H	-0.2994
24	G	H	-0.5698
25	S	H	-0.7734
26	G	H	-1.0298
27	F	H	-0.9190
28	D	H	-1.8269
29	L	H	0.0000
30	S	H	-2.2219
31	K	H	-2.5876
32	G	H	0.0000
33	A	H	0.0000
34	M	H	0.0000
35	T	H	0.0000
36	W	H	0.0000
37	V	H	0.0000
38	R	H	0.0000
39	Q	H	-0.8778
40	A	H	-1.2696
41	P	H	-1.0223
42	G	H	-1.4783
43	K	H	-2.3993
44	G	H	-1.5365
45	L	H	0.0000
46	E	H	-1.2077
47	W	H	0.0000
48	V	H	0.0000
49	S	H	0.0000
50	S	H	0.0000
51	I	H	0.0000
52	T	H	-1.6059
53	R	H	-2.4585
54	S	H	-1.9177
55	G	H	-1.7561
56	K	H	-2.1211
57	G	H	-1.2310
58	T	H	-0.4472
59	Y	H	0.0580
60	Y	H	-0.6986
61	A	H	0.0000
62	D	H	-2.6183
63	S	H	-1.7550
64	V	H	0.0000
65	K	H	-2.5237
66	G	H	-1.7650
67	R	H	-1.6203
68	F	H	0.0000
69	T	H	-0.8130
70	I	H	0.0000
71	S	H	-0.6922
72	R	H	-1.3511
73	D	H	-1.5675
74	N	H	-2.2164
75	S	H	-1.6853
76	K	H	-2.3989
77	N	H	-1.9722
78	T	H	0.0000
79	L	H	0.0000
80	Y	H	-0.5913
81	L	H	0.0000
82	Q	H	-1.3076
83	M	H	0.0000
84	N	H	-1.5205
85	S	H	-1.2839
86	L	H	0.0000
87	R	H	-2.3771
88	A	H	-1.8259
89	E	H	-2.2228
90	D	H	0.0000
91	T	H	-1.1505
92	A	H	0.0000
93	V	H	0.0922
94	Y	H	0.0000
95	Y	H	0.0000
96	C	H	0.0000
97	A	H	0.0000
98	L	H	0.0000
99	T	H	0.0000
100	N	H	-0.9809
101	S	H	-0.8510
102	L	H	-0.1820
103	T	H	-0.1395
104	S	H	-0.0892
105	S	H	-0.0929
106	G	H	0.0310
107	I	H	0.8928
108	G	H	0.2953
109	I	H	0.0000
110	G	H	0.0000
111	S	H	0.0000
112	M	H	0.0000
113	Y	H	0.4307
114	G	H	0.0655
115	W	H	-0.4498
116	G	H	0.0000
117	Q	H	-1.3591
118	G	H	-0.5455
119	T	H	-0.2386
120	T	H	-0.5239
121	V	H	0.0000
122	T	H	-1.5353
123	V	H	0.0000
124	S	H	-1.6286
125	S	H	-1.1982
126	A	H	-0.6457
127	S	H	-0.6737
1	D	L	-2.1837
2	I	L	-1.2977
3	Q	L	-1.8500
4	M	L	0.0000
5	T	L	-1.0698
6	Q	L	0.0000
7	S	L	-0.3519
8	P	L	-0.1006
9	L	L	0.2887
10	S	L	-0.1772
11	L	L	-0.3533
12	P	L	-1.1788
13	V	L	0.0000
14	T	L	-2.1658
15	P	L	-2.4020
16	G	L	-2.1380
17	E	L	-2.7813
18	P	L	-2.3831
19	A	L	0.0000
20	S	L	-0.7970
21	I	L	0.0000
22	S	L	-0.9398
23	S	L	0.0000
24	K	L	-1.9903
25	T	L	0.0000
26	S	L	-1.0566
27	D	L	0.0000
28	S	L	0.1123
29	Y	L	0.6330
30	G	L	-0.6753
31	N	L	-1.2349
32	S	L	-1.2373
33	Y	L	0.0000
34	V	L	0.0000
35	G	L	0.0000
36	W	L	0.0000
37	Y	L	0.0000
38	L	L	-0.3761
39	Q	L	0.0000
40	K	L	-1.4060
41	S	L	-0.9162
42	G	L	-1.4522
43	Q	L	-2.0812
44	S	L	-1.4510
45	P	L	0.0000
46	Q	L	-1.1670
47	L	L	0.0000
48	L	L	0.0000
49	I	L	0.0000
50	Y	L	-0.4049
51	R	L	-1.6356
52	A	L	-1.1179
53	S	L	-0.5962
54	I	L	-0.0663
55	R	L	-1.1273
56	A	L	-0.6189
57	G	L	-0.6439
58	G	L	-1.0010
59	V	L	-1.0945
60	P	L	-1.3734
61	D	L	-2.4216
62	R	L	-2.3037
63	F	L	0.0000
64	S	L	-1.1978
65	G	L	0.0000
66	S	L	-1.0700
67	G	L	-1.4766
68	S	L	-1.5823
69	G	L	-1.2347
70	T	L	-1.5496
71	D	L	-2.4886
72	F	L	0.0000
73	T	L	-1.2002
74	L	L	0.0000
75	K	L	-1.8786
76	I	L	0.0000
77	S	L	-2.4802
78	R	L	-3.4825
79	V	L	0.0000
80	E	L	-2.7728
81	A	L	-1.8813
82	E	L	-2.2855
83	D	L	0.0000
84	V	L	-0.8687
85	G	L	0.0000
86	F	L	0.1678
87	Y	L	0.0000
88	Y	L	0.0000
89	V	L	0.0000
90	V	L	0.0000
91	D	L	0.0000
92	T	L	0.0000
93	K	L	-0.6780
94	T	L	-0.1973
95	Y	L	-0.0626
96	P	L	-0.6563
97	I	L	0.0000
98	G	L	-0.9761
99	F	L	-0.6003
100	G	L	0.0000
101	Q	L	-1.5549
102	G	L	0.0000
103	T	L	0.0000
104	K	L	-0.6604
105	L	L	0.0000
106	E	L	-1.6345
107	I	L	-1.7304
108	K	L	-2.3315
109	R	L	-2.2372
110	T	L	-0.3828
111	V	L	1.0864