Project name: 2510-17.pdb

Chain sequence(s)	H: QVQLVQSGAEVKKPGSSVKVSCKASGYTFSSYWIHWVRQAPGQGLEWMGEMNPSNGGTNYNENFRRRATLIADESTSTAYMELSSLRSEDTAVYYCIVSYSGNYWSFDVWGQGTTVTVSS; L: EIVLTQSPATLSLSPGERATLSCRASSSVSYMHWYQQKPGSAPRLLIYATSNLASGIPARFSGSGSGTSFTLTISRLEPEDAAVYYCQQWSSNPPTFGQGTRLEIK
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:28)

• Minimal score value: -3.7931
• Maximal score value: 1.0548
• Average score: -0.6011
• Total score value: -135.8422

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	-1.3687
2	V	H	-0.7319
3	Q	H	-1.0817
4	L	H	0.0000
5	V	H	0.0370
6	Q	H	0.0000
7	S	H	-0.6306
8	G	H	-0.6362
9	A	H	-0.0210
11	E	H	0.0085
12	V	H	0.9834
13	K	H	-0.7805
14	K	H	-2.0851
15	P	H	-1.9059
16	G	H	-1.4731
17	S	H	-1.2523
18	S	H	-1.3899
19	V	H	0.0000
20	K	H	-1.8508
21	V	H	0.0000
22	S	H	-0.5007
23	C	H	0.0000
24	K	H	-0.8020
25	A	H	0.0000
26	S	H	-0.7194
27	G	H	-0.8976
28	Y	H	-0.3337
29	T	H	-0.0792
30	F	H	0.0000
35	S	H	-0.6816
36	S	H	0.0161
37	Y	H	0.4293
38	W	H	0.4753
39	I	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	-0.4747
44	Q	H	-0.6992
45	A	H	-1.0286
46	P	H	-1.0326
47	G	H	-1.2073
48	Q	H	-1.8516
49	G	H	-1.2733
50	L	H	0.0000
51	E	H	-0.8346
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	E	H	0.0000
56	M	H	0.0000
57	N	H	-0.7211
58	P	H	0.0000
59	S	H	-1.3531
62	N	H	-1.8966
63	G	H	-1.3445
64	G	H	-0.9748
65	T	H	-0.7748
66	N	H	-1.3640
67	Y	H	-2.0409
68	N	H	-2.5870
69	E	H	-3.4821
70	N	H	-3.1727
71	F	H	0.0000
72	R	H	-3.7931
74	R	H	-3.4928
75	R	H	-2.1303
76	A	H	0.0000
77	T	H	-1.0437
78	L	H	0.0000
79	I	H	0.2630
80	A	H	-0.4801
81	D	H	-1.0654
82	E	H	-1.8734
83	S	H	-1.0493
84	T	H	-0.8793
85	S	H	-1.0283
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.2610
89	M	H	0.0000
90	E	H	-1.3951
91	L	H	0.0000
92	S	H	-1.2602
93	S	H	-1.1271
94	L	H	0.0000
95	R	H	-2.3340
96	S	H	-1.9829
97	E	H	-2.2885
98	D	H	0.0000
99	T	H	-0.7450
100	A	H	0.0000
101	V	H	0.1051
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	I	H	0.0000
106	V	H	0.0000
107	S	H	0.0000
108	Y	H	1.0548
109	S	H	0.1970
110	G	H	-0.4971
111	N	H	-1.0258
112	Y	H	0.3209
113	W	H	0.7610
114	S	H	0.0000
115	F	H	0.0000
116	D	H	-0.1788
117	V	H	-0.1355
118	W	H	-0.3012
119	G	H	0.0000
120	Q	H	-1.1417
121	G	H	-0.5422
122	T	H	0.0000
123	T	H	-0.0110
124	V	H	0.0000
125	T	H	-0.1933
126	V	H	0.0000
127	S	H	-0.8135
128	S	H	-0.8931
1	E	L	-1.7071
2	I	L	0.0000
3	V	L	0.8823
4	L	L	0.0000
5	T	L	-0.3991
6	Q	L	0.0000
7	S	L	-0.5016
8	P	L	-0.4091
9	A	L	-0.5873
10	T	L	-0.7639
11	L	L	-0.5072
12	S	L	-0.8204
13	L	L	-1.0081
14	S	L	-1.5827
15	P	L	-1.7658
16	G	L	-1.8764
17	E	L	-2.8128
18	R	L	-3.0742
19	A	L	0.0000
20	T	L	-0.6793
21	L	L	0.0000
22	S	L	-0.4953
23	C	L	0.0000
24	R	L	-1.2666
25	A	L	0.0000
26	S	L	-0.3111
27	S	L	-0.5058
28	S	L	-0.6282
29	V	L	0.0000
37	S	L	-0.2009
38	Y	L	0.3375
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	-0.7411
45	K	L	-1.2448
46	P	L	-0.7183
47	G	L	-0.9392
48	S	L	-0.9587
49	A	L	-0.6992
50	P	L	0.0000
51	R	L	-0.8268
52	L	L	-0.2076
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.8354
56	A	L	0.3007
57	T	L	-0.0305
65	S	L	-0.2756
66	N	L	-0.3749
67	L	L	0.1644
68	A	L	-0.1258
69	S	L	-0.4722
70	G	L	-0.4810
71	I	L	0.0000
72	P	L	-0.2237
74	A	L	-0.2816
75	R	L	-0.9792
76	F	L	0.0000
77	S	L	-0.3783
78	G	L	0.0000
79	S	L	-0.4838
80	G	L	-0.6720
83	S	L	-0.6459
84	G	L	-0.6694
85	T	L	-0.8142
86	S	L	-0.9103
87	F	L	0.0000
88	T	L	-0.4600
89	L	L	0.0000
90	T	L	-0.7867
91	I	L	0.0000
92	S	L	-1.9355
93	R	L	-2.8965
94	L	L	0.0000
95	E	L	-1.8485
96	P	L	-1.6250
97	E	L	-1.9336
98	D	L	0.0000
99	A	L	-1.2261
100	A	L	0.0000
101	V	L	-0.6827
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.0000
107	W	L	0.0000
108	S	L	-0.2747
109	S	L	-1.1902
114	N	L	-1.8384
115	P	L	-1.7471
116	P	L	0.0000
117	T	L	-0.3808
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.2096
121	G	L	0.0000
122	T	L	0.0000
123	R	L	-1.9044
124	L	L	0.0000
125	E	L	-1.0953
126	I	L	-0.9451
127	K	L	-1.6786