Project name: 4271fa016bca849

Chain sequence(s)	H: QVQLVQSGAEVKKPGASVKVSCKSSGYIFSDYYIHWVRQAPGQGLEWMGRINPHSGGTNYAQNFQGRVTMTRDTSIATTYMEVSRLISDDTAMYYCARDLGTVFGVLSDAFDIWGQGTMVTVSS; L: DIVMTQSPDSLAVSLGERATINCKSSQSVLYSSNNKNYLAWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQYYSTPPLTFGGGTKVEIK
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                                          (00:01:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:34)

• Minimal score value: -2.5476
• Maximal score value: 2.8932
• Average score: -0.4878
• Total score value: -116.0845

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	-1.4162
2	V	H	-0.5621
3	Q	H	-1.2834
4	L	H	0.0000
5	V	H	0.2517
6	Q	H	0.0000
7	S	H	-0.5744
8	G	H	-0.5781
9	A	H	-0.0289
11	E	H	-0.2092
12	V	H	0.8862
13	K	H	-0.5517
14	K	H	-1.8039
15	P	H	-1.2635
16	G	H	-1.4743
17	A	H	-1.2643
18	S	H	-1.3875
19	V	H	0.0000
20	K	H	-1.9106
21	V	H	0.0000
22	S	H	-0.5456
23	C	H	0.0000
24	K	H	-0.7100
25	S	H	0.0000
26	S	H	-0.2547
27	G	H	-0.5101
28	Y	H	0.4165
29	I	H	1.5535
30	F	H	0.0000
35	S	H	-0.6219
36	D	H	-1.2332
37	Y	H	-0.2243
38	Y	H	-0.1429
39	I	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	-0.4670
44	Q	H	-0.7302
45	A	H	-1.0018
46	P	H	-0.9889
47	G	H	-1.2180
48	Q	H	-1.7725
49	G	H	-1.1004
50	L	H	0.0000
51	E	H	-0.8602
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	R	H	0.0000
56	I	H	0.0000
57	N	H	-0.9038
58	P	H	0.0000
59	H	H	-1.6986
62	S	H	-0.9948
63	G	H	-0.9556
64	G	H	-0.8356
65	T	H	-0.4435
66	N	H	-0.7820
67	Y	H	-0.9343
68	A	H	0.0000
69	Q	H	-2.2705
70	N	H	-2.2736
71	F	H	0.0000
72	Q	H	-2.2400
74	G	H	-1.6733
75	R	H	-1.5466
76	V	H	0.0000
77	T	H	-0.6958
78	M	H	0.0000
79	T	H	-0.4619
80	R	H	-0.9223
81	D	H	-0.8374
82	T	H	-0.5238
83	S	H	0.1474
84	I	H	0.7804
85	A	H	0.2085
86	T	H	0.0000
87	T	H	0.0000
88	Y	H	-0.5807
89	M	H	0.0000
90	E	H	-1.1109
91	V	H	0.0000
92	S	H	-1.3930
93	R	H	-2.0880
94	L	H	0.0000
95	I	H	-0.1606
96	S	H	-0.6471
97	D	H	-1.1406
98	D	H	0.0000
99	T	H	-0.2134
100	A	H	0.0000
101	M	H	0.1082
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0421
107	D	H	0.0000
108	L	H	0.4523
109	G	H	0.5364
110	T	H	1.6706
111	V	H	2.8421
111A	F	H	2.8932
111B	G	H	1.5448
112B	V	H	1.8674
112A	L	H	1.4662
112	S	H	0.0000
113	D	H	0.0000
114	A	H	0.0000
115	F	H	0.0000
116	D	H	-0.2700
117	I	H	-0.0868
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.3018
121	G	H	-0.6311
122	T	H	0.0000
123	M	H	0.1917
124	V	H	0.0000
125	T	H	0.0939
126	V	H	0.0000
127	S	H	-0.5678
128	S	H	-0.6298
1	D	L	-1.6205
2	I	L	0.0000
3	V	L	0.7626
4	M	L	0.0000
5	T	L	-0.9140
6	Q	L	-1.4683
7	S	L	-1.5690
8	P	L	-1.4133
9	D	L	-2.3100
10	S	L	-1.3876
11	L	L	-0.5878
12	A	L	-0.2853
13	V	L	0.0000
14	S	L	-0.9045
15	L	L	-0.2707
16	G	L	-1.0796
17	E	L	-2.2030
18	R	L	-2.5476
19	A	L	0.0000
20	T	L	-0.7977
21	I	L	0.0000
22	N	L	-1.6619
23	C	L	0.0000
24	K	L	-2.3963
25	S	L	0.0000
26	S	L	-0.9990
27	Q	L	-1.5435
28	S	L	-0.8251
29	V	L	0.0000
30	L	L	-0.0371
31	Y	L	0.1180
32	S	L	-0.5994
33	S	L	-0.7102
34	N	L	-1.0478
35	N	L	-1.5976
36	K	L	-1.0289
37	N	L	-0.3602
38	Y	L	0.0000
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-0.8576
45	K	L	-1.3462
46	P	L	-0.9400
47	G	L	-1.4710
48	Q	L	-2.0815
49	P	L	-1.3075
50	P	L	0.0000
51	K	L	-1.0639
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.1136
56	W	L	-0.1784
57	A	L	0.0000
65	S	L	-0.5918
66	T	L	-0.5264
67	R	L	-1.3817
68	E	L	-1.1079
69	S	L	-0.7491
70	G	L	-0.9171
71	V	L	-1.0312
72	P	L	-1.3116
74	D	L	-2.2083
75	R	L	-1.5278
76	F	L	0.0000
77	S	L	-0.8744
78	G	L	0.0000
79	S	L	-0.6954
80	G	L	-1.1682
83	S	L	-1.1113
84	G	L	-1.0077
85	T	L	-1.6125
86	D	L	-2.3212
87	F	L	0.0000
88	T	L	-1.0290
89	L	L	0.0000
90	T	L	-0.6608
91	I	L	0.0000
92	S	L	-1.5938
93	S	L	-1.6411
94	L	L	0.0000
95	Q	L	-1.2094
96	A	L	-0.6530
97	E	L	-1.8063
98	D	L	0.0000
99	V	L	0.0361
100	A	L	0.0000
101	V	L	-0.3335
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	Y	L	0.0000
108	Y	L	0.5416
109	S	L	-0.3276
113	T	L	-0.2503
114	P	L	-0.6164
115	P	L	-0.7436
116	L	L	0.0000
117	T	L	0.0608
118	F	L	0.2159
119	G	L	0.0000
120	G	L	-0.9857
121	G	L	-1.1628
122	T	L	0.0000
123	K	L	-1.4019
124	V	L	0.0000
125	E	L	-0.1905
126	I	L	0.2173
127	K	L	-1.2102