Project name: 6YIO

Chain sequence(s)	H: QVQLVQSGAEVKKPGSSVKVSCKASGGTFSSLAISWVRQAPGQGLEWMGGIIPIFGTANYAQKFQGRVTITADESTSTAYMELSSLRSEDTAVYYCARGGSVSGTLVDFDIWGQGTMVTVSS; L: DIQMTQSPSTLSASVGDRVTITCRASQSISSWLAWYQQKPGKAPKLLIYKASSLESGVPSRFSGSGSGTEFTLTISSLQPDDFATYYCQQYNIYPITFGGGTKVEIK
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                                          (00:01:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:28)

• Minimal score value: -3.1229
• Maximal score value: 2.7907
• Average score: -0.4527
• Total score value: -103.6644

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	-1.5793
2	V	H	-1.1980
3	Q	H	-1.4740
4	L	H	0.0000
5	V	H	0.3534
6	Q	H	0.0000
7	S	H	-0.4865
8	G	H	-0.5275
9	A	H	0.0778
11	E	H	0.0203
12	V	H	0.9768
13	K	H	-0.9375
14	K	H	-2.2117
15	P	H	-2.1426
16	G	H	-1.6175
17	S	H	-1.3026
18	S	H	-1.4503
19	V	H	0.0000
20	K	H	-2.0282
21	V	H	0.0000
22	S	H	-0.5193
23	C	H	0.0000
24	K	H	-0.5891
25	A	H	0.0000
26	S	H	-0.9366
27	G	H	-1.2815
28	G	H	-1.0502
29	T	H	-0.4969
30	F	H	0.0000
35	S	H	0.5336
36	S	H	0.5368
37	L	H	0.0000
38	A	H	0.5231
39	I	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.5698
45	A	H	-0.9444
46	P	H	-0.8287
47	G	H	-1.2197
48	Q	H	-1.7407
49	G	H	-1.1144
50	L	H	0.0000
51	E	H	-0.7296
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	G	H	0.0000
56	I	H	0.0000
57	I	H	1.4338
58	P	H	0.0000
59	I	H	2.6775
62	F	H	2.7907
63	G	H	0.9894
64	T	H	0.7742
65	A	H	0.1733
66	N	H	-0.3068
67	Y	H	-0.7388
68	A	H	0.0000
69	Q	H	-2.6201
70	K	H	-2.7248
71	F	H	0.0000
72	Q	H	-2.4366
74	G	H	-1.6535
75	R	H	-1.5763
76	V	H	0.0000
77	T	H	-0.9149
78	I	H	0.0000
79	T	H	-0.3910
80	A	H	-0.0436
81	D	H	-0.8318
82	E	H	-0.8803
83	S	H	-0.7953
84	T	H	-0.7121
85	S	H	-0.9171
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.6081
89	M	H	0.0000
90	E	H	-1.6672
91	L	H	0.0000
92	S	H	-1.2007
93	S	H	-1.2602
94	L	H	0.0000
95	R	H	-3.1229
96	S	H	-2.3424
97	E	H	-2.4575
98	D	H	0.0000
99	T	H	-0.7969
100	A	H	0.0000
101	V	H	0.2717
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.3525
107	G	H	0.0000
108	G	H	0.0000
109	S	H	0.5624
110	V	H	1.5454
111	S	H	0.4294
111A	G	H	-0.1681
112A	T	H	0.1376
112	L	H	0.4442
113	V	H	0.0000
114	D	H	0.0000
115	F	H	0.0000
116	D	H	-0.3788
117	I	H	-0.5753
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.4199
121	G	H	-0.6751
122	T	H	0.0000
123	M	H	0.3789
124	V	H	0.0000
125	T	H	-0.2213
126	V	H	0.0000
127	S	H	-0.9725
128	S	H	-0.7669
1	D	L	-1.8720
2	I	L	0.0000
3	Q	L	-1.9257
4	M	L	0.0000
5	T	L	-1.3139
6	Q	L	-1.0044
7	S	L	-0.6951
8	P	L	-0.5353
9	S	L	-0.7317
10	T	L	-0.8068
11	L	L	-0.3311
12	S	L	-0.5113
13	A	L	0.0000
14	S	L	-0.0512
15	V	L	0.8064
16	G	L	-0.4621
17	D	L	-1.4653
18	R	L	-2.0905
19	V	L	0.0000
20	T	L	-0.5934
21	I	L	0.0000
22	T	L	-0.8035
23	C	L	0.0000
24	R	L	-2.6185
25	A	L	0.0000
26	S	L	-1.6712
27	Q	L	-1.6009
28	S	L	-1.0809
29	I	L	0.0000
36	S	L	-0.6279
37	S	L	-0.5196
38	W	L	0.0467
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.7689
44	Q	L	0.0000
45	K	L	-1.6229
46	P	L	-1.2110
47	G	L	-1.6109
48	K	L	-2.5250
49	A	L	-1.5415
50	P	L	0.0000
51	K	L	-1.1781
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.1104
56	K	L	-0.3491
57	A	L	0.0000
65	S	L	-0.3919
66	S	L	-0.1024
67	L	L	0.2056
68	E	L	-0.2959
69	S	L	-0.4062
70	G	L	-0.5167
71	V	L	-0.3110
72	P	L	-0.3436
74	S	L	-0.3982
75	R	L	-0.7839
76	F	L	0.0000
77	S	L	-0.3209
78	G	L	-0.3297
79	S	L	-0.7010
80	G	L	-1.0334
83	S	L	-0.9917
84	G	L	-0.9970
85	T	L	-1.4965
86	E	L	-1.8507
87	F	L	0.0000
88	T	L	-0.7241
89	L	L	0.0000
90	T	L	-0.5969
91	I	L	0.0000
92	S	L	-1.1997
93	S	L	-1.0395
94	L	L	0.0000
95	Q	L	-0.8204
96	P	L	-0.7245
97	D	L	-1.8462
98	D	L	0.0000
99	F	L	-0.3631
100	A	L	0.0000
101	T	L	-0.8726
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	N	L	0.2680
109	I	L	0.9981
114	Y	L	0.8450
115	P	L	-0.1622
116	I	L	0.0000
117	T	L	-0.3466
118	F	L	-0.2245
119	G	L	0.0000
120	G	L	-0.9045
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.5302
124	V	L	0.0000
125	E	L	-0.6373
126	I	L	1.0608
127	K	L	-0.7471