Project name: 6XY2

Chain sequence(s)	H: QVQLQESGPGLVKPSETLSLTCTVSGFSLTSYGLSWIRQPPGKGLEWIGYIWYDGNTNFHSPLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCAKTEGHYYGSNYGYYALDYWGQGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTITCRASENIYSNLAWYQQKQGKAPKLLLYAATNLQDGVPSRFSGSGSGTDYTLTISSLQPEDFATYFCQHLWGTPYTFGQGTKLEIK
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                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)

• Minimal score value: -2.921
• Maximal score value: 1.1459
• Average score: -0.5475
• Total score value: -127.0152

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	-1.5456
2	V	H	-1.0219
3	Q	H	-1.7647
4	L	H	0.0000
5	Q	H	-1.6865
6	E	H	0.0000
7	S	H	-0.6523
8	G	H	-0.5041
9	P	H	-0.2119
11	G	H	0.0649
12	L	H	0.3395
13	V	H	0.0000
14	K	H	-1.7143
15	P	H	-1.3156
16	S	H	-1.3960
17	E	H	-2.0165
18	T	H	-1.4677
19	L	H	0.0000
20	S	H	-0.9509
21	L	H	0.0000
22	T	H	-0.6088
23	C	H	0.0000
24	T	H	-1.2067
25	V	H	0.0000
26	S	H	-1.3724
27	G	H	-1.1306
28	F	H	-0.4922
29	S	H	-0.0684
30	L	H	0.0000
35	T	H	-0.0610
36	S	H	0.0017
37	Y	H	0.2700
38	G	H	0.0000
39	L	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	I	H	0.0000
43	R	H	0.0000
44	Q	H	-0.7110
45	P	H	-0.7878
46	P	H	-0.8913
47	G	H	-1.4549
48	K	H	-2.3346
49	G	H	-1.5619
50	L	H	0.0000
51	E	H	-0.9736
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	Y	H	-0.1043
56	I	H	0.0000
57	W	H	-0.2611
58	Y	H	0.0152
59	D	H	-1.5087
63	G	H	-1.2890
64	N	H	-1.6109
65	T	H	-0.7741
66	N	H	-0.7147
67	F	H	-0.6557
68	H	H	-1.0223
69	S	H	-1.2339
70	P	H	-0.9435
71	L	H	0.0000
72	K	H	-2.0715
74	S	H	-1.3011
75	R	H	-1.3337
76	V	H	0.0000
77	T	H	-0.9893
78	I	H	0.0000
79	S	H	-0.5739
80	V	H	-0.6749
81	D	H	-1.2374
82	T	H	-1.2435
83	S	H	-1.3686
84	K	H	-2.2733
85	N	H	-1.6360
86	Q	H	-1.4063
87	F	H	0.0000
88	S	H	-0.5874
89	L	H	0.0000
90	K	H	-1.5209
91	L	H	0.0000
92	S	H	-1.1278
93	S	H	-1.0794
94	V	H	0.0000
95	T	H	-0.5630
96	A	H	-0.1931
97	A	H	0.0607
98	D	H	0.0000
99	T	H	0.2036
100	A	H	0.0000
101	V	H	0.4121
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	K	H	0.0000
107	T	H	0.0000
108	E	H	-0.0702
109	G	H	0.1610
110	H	H	0.4585
111	Y	H	1.1459
111A	Y	H	0.5782
111B	G	H	-0.1820
111C	S	H	-0.4219
112C	N	H	-0.4910
112B	Y	H	0.1941
112A	G	H	0.3077
112	Y	H	0.6929
113	Y	H	0.5048
114	A	H	0.0000
115	L	H	0.0000
116	D	H	-0.3457
117	Y	H	-0.0509
118	W	H	-0.4824
119	G	H	0.0000
120	Q	H	-1.8340
121	G	H	-0.8779
122	T	H	-0.1506
123	L	H	0.6781
124	V	H	0.0000
125	T	H	0.1740
126	V	H	0.0000
127	S	H	-0.5100
128	S	H	-0.6428
1	D	L	-2.3500
2	I	L	0.0000
3	Q	L	-2.3188
4	M	L	0.0000
5	T	L	-1.4209
6	Q	L	0.0000
7	S	L	-0.7047
8	P	L	-0.5739
9	S	L	-0.8140
10	S	L	-0.8503
11	L	L	-0.6218
12	S	L	-0.8736
13	A	L	-0.8952
14	S	L	-0.7401
15	V	L	0.1898
16	G	L	-0.6935
17	D	L	-1.7430
18	R	L	-2.3025
19	V	L	0.0000
20	T	L	-0.6032
21	I	L	0.0000
22	T	L	-0.7863
23	C	L	0.0000
24	R	L	-2.8054
25	A	L	0.0000
26	S	L	-2.1468
27	E	L	-2.3532
28	N	L	-1.3037
29	I	L	0.0000
36	Y	L	0.8459
37	S	L	0.2881
38	N	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	-0.7152
44	Q	L	-1.3820
45	K	L	-1.9886
46	Q	L	-2.0347
47	G	L	-2.1713
48	K	L	-2.9210
49	A	L	-1.7253
50	P	L	0.0000
51	K	L	-1.2051
52	L	L	0.0000
53	L	L	0.0000
54	L	L	0.0000
55	Y	L	0.3513
56	A	L	0.0000
57	A	L	0.0000
65	T	L	-0.1385
66	N	L	-0.0690
67	L	L	-0.0438
68	Q	L	-0.9901
69	D	L	-1.9688
70	G	L	-1.2572
71	V	L	-0.7547
72	P	L	-0.5184
74	S	L	-0.3470
75	R	L	-0.7416
76	F	L	0.0000
77	S	L	-0.2589
78	G	L	-0.1991
79	S	L	-0.5906
80	G	L	-0.7970
83	S	L	-0.6668
84	G	L	-0.7966
85	T	L	-1.6059
86	D	L	-1.9472
87	Y	L	0.0000
88	T	L	-0.6955
89	L	L	0.0000
90	T	L	-0.5857
91	I	L	0.0000
92	S	L	-1.2989
93	S	L	-1.2102
94	L	L	0.0000
95	Q	L	-1.0557
96	P	L	-0.8983
97	E	L	-1.4885
98	D	L	0.0000
99	F	L	0.2178
100	A	L	0.0000
101	T	L	-0.8830
102	Y	L	0.0000
103	F	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	H	L	0.0000
107	L	L	0.0000
108	W	L	1.0687
109	G	L	-0.0061
114	T	L	-0.3066
115	P	L	0.0000
116	Y	L	0.0000
117	T	L	0.0000
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.6843
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.3571
124	L	L	0.0000
125	E	L	-0.9493
126	I	L	-0.3928
127	K	L	-1.4305