Project name: D0604

Chain sequence(s)	H: QVQLQESGGGLVQPGGSLTLSCTASGFTFRYSDMRWYRQGPGKERAMVARVTSTGSTYYADSVKGRFTVSRDNAKNTVYLQMNSLKPEDTAVYYCRAQSINWERDYWGQGTTVTVSS; L: ETTVTQSPASLSASVGETVTITCRASENIYSYLAWYQQKQGKSPQLLVYNAKTLAEGVPSRFSGSGSGTQFSLKINSLQPEDFGSYYCQHHYGTPTWTFGGGTKLEIK
Selected Chain(s)	H,L
Distance of aggregation	5 Å
FoldX usage	No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)

• Minimal score value: -2.0532
• Maximal score value: 1.7673
• Average score: -0.2778
• Total score value: -62.5102

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	-1.1568
2	V	H	-0.2858
3	Q	H	-1.1569
4	L	H	0.0000
5	Q	H	-1.0196
6	E	H	0.0000
7	S	H	-0.2122
8	G	H	-0.4061
9	G	H	-0.3132
10	G	H	0.0026
11	L	H	1.5398
12	V	H	0.2733
13	Q	H	-1.1942
14	P	H	-0.4430
15	G	H	-0.5317
16	G	H	-0.2306
17	S	H	-0.2042
18	L	H	0.1920
19	T	H	-0.1308
20	L	H	0.0000
21	S	H	0.0055
22	C	H	0.0000
23	T	H	-0.0412
24	A	H	0.0000
25	S	H	-0.2919
26	G	H	-0.3952
27	F	H	0.3232
28	T	H	0.0077
29	F	H	0.0000
30	R	H	-1.6034
31	Y	H	0.9738
32	S	H	0.2181
33	D	H	0.0000
34	M	H	0.0000
35	R	H	0.0000
36	W	H	0.0000
37	Y	H	0.0000
38	R	H	-0.2525
39	Q	H	-0.1977
40	G	H	-0.1381
41	P	H	-0.3527
42	G	H	-0.8238
43	K	H	-1.9724
44	E	H	-1.3253
45	R	H	0.0000
46	A	H	0.0249
47	M	H	0.0000
48	V	H	0.0000
49	A	H	0.0000
50	R	H	0.0000
51	V	H	0.0000
52	T	H	-0.0248
53	S	H	-0.1018
54	T	H	-0.1494
55	G	H	-0.3945
56	S	H	-0.2812
57	T	H	-0.0058
58	Y	H	0.4297
59	Y	H	0.2500
60	A	H	-0.2882
61	D	H	-1.9702
62	S	H	-0.5410
63	V	H	0.0000
64	K	H	-1.6398
65	G	H	-0.9077
66	R	H	-1.1144
67	F	H	0.0000
68	T	H	-0.0564
69	V	H	0.0000
70	S	H	-0.2558
71	R	H	-0.6836
72	D	H	-0.7068
73	N	H	-1.0825
74	A	H	-0.4416
75	K	H	-1.8035
76	N	H	-0.9367
77	T	H	0.0000
78	V	H	0.0000
79	Y	H	0.3800
80	L	H	0.0000
81	Q	H	-0.8623
82	M	H	0.0000
82A	N	H	-0.5047
82B	S	H	-0.2763
82C	L	H	0.0000
83	K	H	-1.2077
84	P	H	-0.7950
85	E	H	-1.8665
86	D	H	0.0000
87	T	H	-0.0201
88	A	H	0.0000
89	V	H	0.4699
90	Y	H	0.0000
91	Y	H	0.0000
92	C	H	0.0000
93	R	H	0.0000
94	A	H	0.0000
95	Q	H	-0.1721
96	S	H	0.2907
97	I	H	1.7673
98	N	H	-0.6843
99	W	H	0.6219
100	E	H	-1.7025
100A	R	H	-0.9102
101	D	H	-0.2600
102	Y	H	0.2123
103	W	H	0.4696
104	G	H	0.0000
105	Q	H	-1.2133
106	G	H	-0.3044
107	T	H	-0.0417
108	T	H	-0.0089
109	V	H	0.0000
110	T	H	0.1478
111	V	H	0.0000
112	S	H	-0.2497
113	S	H	-0.2296
1	E	L	-1.8212
2	T	L	-0.3544
3	T	L	-0.0722
4	V	L	0.0000
5	T	L	-0.0943
6	Q	L	-0.1755
7	S	L	-0.2375
8	P	L	-0.1221
9	A	L	0.0045
10	S	L	-0.3695
11	L	L	0.3006
12	S	L	-0.3265
13	A	L	0.0000
14	S	L	0.2220
15	V	L	1.6667
16	G	L	-0.4759
17	E	L	-1.8343
18	T	L	-0.4838
19	V	L	0.0000
20	T	L	-0.1863
21	I	L	0.0000
22	T	L	-0.0219
23	C	L	0.0000
24	R	L	-1.6773
25	A	L	-0.3239
26	S	L	-0.5362
27	E	L	-2.0532
28	N	L	-1.6061
29	I	L	0.0000
30	Y	L	1.2971
31	S	L	0.3006
32	Y	L	0.5328
33	L	L	0.0000
34	A	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	0.0000
38	Q	L	-0.2563
39	K	L	-0.9720
40	Q	L	-1.4185
41	G	L	-0.9971
42	K	L	-1.7907
43	S	L	-0.3458
44	P	L	0.0000
45	Q	L	-0.4740
46	L	L	0.0000
47	L	L	0.0000
48	V	L	0.0000
49	Y	L	0.4788
50	N	L	-0.3776
51	A	L	0.0000
52	K	L	-1.7052
53	T	L	-0.2547
54	L	L	0.4544
55	A	L	0.0000
56	E	L	-1.9055
57	G	L	-0.7599
58	V	L	0.1114
59	P	L	-0.1417
60	S	L	-0.3943
61	R	L	-0.9744
62	F	L	0.0000
63	S	L	-0.1116
64	G	L	0.0000
65	S	L	-0.2075
66	G	L	-0.5280
67	S	L	-0.3105
68	G	L	-0.0898
69	T	L	-0.2659
70	Q	L	-1.3773
71	F	L	0.0000
72	S	L	-0.0327
73	L	L	0.0000
74	K	L	-1.1852
75	I	L	0.0000
76	N	L	-0.9290
77	S	L	-0.3514
78	L	L	0.0000
79	Q	L	-0.3904
80	P	L	-0.6478
81	E	L	-1.8663
82	D	L	0.0000
83	F	L	0.1873
84	G	L	-0.0671
85	S	L	-0.2749
86	Y	L	0.0000
87	Y	L	0.0000
88	C	L	0.0000
89	Q	L	0.0000
90	H	L	0.0000
91	H	L	0.0277
92	Y	L	0.9184
93	G	L	-0.1898
94	T	L	-0.1464
95	P	L	-0.0661
95A	T	L	-0.0416
96	W	L	0.0000
97	T	L	-0.0079
98	F	L	0.0000
99	G	L	0.0000
100	G	L	-0.4789
101	G	L	-0.1541
102	T	L	0.0000
103	K	L	-1.7341
104	L	L	0.0000
105	E	L	-1.3077
106	I	L	1.3902
107	K	L	-1.3267