Project name: d092b2fae0fe28d [mutate: AG9H, GR47H, QR48H, VA55H, AV80H, YF103H, AS105H, QA120H, LS123H] [mutate: IS31L, IS21L, YF42L, YF55L, KR127L, GS120L, SN77L, SG79L, TS90L, TM88L, LF89L, YW116L, QH105L, QR43L, AV19L]

Chain sequence(s)	H: QVQLQQPGGELVKPGASVKMSCKASGYTFTSYNMHWVKQTPRRGLEWIGAIYSGNGDTSYNQKFKGKATLTVDKSSSTAYMQINSLTSEDSAVYFCSRERDTRFGNWGAGTSVTVSA; L: NIVLTQSPASLAVSLGLRATISCRASESVDIYGNSFMHWYQQKPGQPPKLLIYLASNLESGVPARFSGSGSRTDFTLTIDPVEADDAATYYCQQNNEDPYTFGGGTKLEIK
Selected Chain(s)	H,L
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	QR43L,YF42L,SG79L,TS90L,YF55L,SN77L,LF89L,TM88L,IS21L,GS120L,KR127L,IS31L,YW116L,QH105L,AV19L
Energy difference between WT (input) and mutated protein (by FoldX)	15.724 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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]       FoldX:    Building mutant model                                                       (00:00:42)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:05:20)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:06:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:20)

• Minimal score value: -3.1034
• Maximal score value: 0.7915
• Average score: -0.7357
• Total score value: -167.7374

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	-1.3282
2	V	H	-0.8351
3	Q	H	-1.3088
4	L	H	0.0000
5	Q	H	-1.3413
6	Q	H	-1.0047
7	P	H	-1.0265
8	G	H	-1.0462
9	G	H	-0.8557
11	E	H	-0.7083
12	L	H	0.6102
13	V	H	-0.4352
14	K	H	-1.6232
15	P	H	-1.3909
16	G	H	-1.1819
17	A	H	-0.9894
18	S	H	-1.0671
19	V	H	0.0000
20	K	H	-1.2592
21	M	H	0.0000
22	S	H	-0.6151
23	C	H	0.0000
24	K	H	-1.3717
25	A	H	0.0000
26	S	H	-0.9191
27	G	H	-0.8251
28	Y	H	-0.2852
29	T	H	-0.1798
30	F	H	0.0000
35	T	H	-0.5919
36	S	H	-0.5125
37	Y	H	-0.7005
38	N	H	-0.9099
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	0.0000
44	Q	H	-0.8030
45	T	H	-1.6082
46	P	H	-1.6813
47	R	H	-2.9194
48	R	H	-2.9664
49	G	H	-1.7127
50	L	H	0.0000
51	E	H	-0.8866
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	A	H	0.0000
56	I	H	0.0000
57	Y	H	-0.4639
58	S	H	0.0000
59	G	H	-1.1703
62	N	H	-1.8611
63	G	H	-1.7281
64	D	H	-2.1457
65	T	H	-0.9779
66	S	H	-0.8984
67	Y	H	-1.2204
68	N	H	0.0000
69	Q	H	-2.7588
70	K	H	-2.7622
71	F	H	0.0000
72	K	H	-2.7661
74	G	H	-1.8977
75	K	H	-1.6575
76	A	H	0.0000
77	T	H	-0.7305
78	L	H	0.0000
79	T	H	-0.3722
80	V	H	-0.3262
81	D	H	-1.0899
82	K	H	-1.3356
83	S	H	-0.8540
84	S	H	-0.7805
85	S	H	-0.8638
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.2140
89	M	H	0.0000
90	Q	H	-0.8905
91	I	H	0.0000
92	N	H	-0.9480
93	S	H	-0.9547
94	L	H	0.0000
95	T	H	-1.3020
96	S	H	-1.4477
97	E	H	-1.9700
98	D	H	0.0000
99	S	H	-0.6098
100	A	H	-0.5001
101	V	H	0.1396
102	Y	H	0.0000
103	F	H	0.0000
104	C	H	0.0000
105	S	H	0.0000
106	R	H	0.0000
107	E	H	-1.7611
108	R	H	-3.0673
109	D	H	-2.8346
113	T	H	-1.5560
114	R	H	-1.4966
115	F	H	0.0000
116	G	H	-1.4466
117	N	H	-0.9082
118	W	H	-0.5677
119	G	H	0.0000
120	A	H	-0.6086
121	G	H	0.0000
122	T	H	0.0000
123	S	H	-0.3160
124	V	H	0.0000
125	T	H	-0.3059
126	V	H	0.0000
127	S	H	-0.4213
128	A	H	-0.4371
1	N	L	-1.6805
2	I	L	0.0000
3	V	L	0.7915
4	L	L	0.0000
5	T	L	-0.5342
6	Q	L	0.0000
7	S	L	-0.5118
8	P	L	-0.4136
9	A	L	-0.4652
10	S	L	-0.7868
11	L	L	-0.3151
12	A	L	-0.6536
13	V	L	0.0000
14	S	L	-0.4924
15	L	L	-0.0092
16	G	L	-0.4473
17	L	L	-0.0560
18	R	L	-1.9081
19	V	L	0.0000	mutated: AV19L
20	T	L	-0.7806
21	S	L	0.0000	mutated: IS21L
22	S	L	-0.7341
23	C	L	0.0000
24	R	L	-2.5400
25	A	L	0.0000
26	S	L	-1.2889
27	E	L	-2.2945
28	S	L	-2.1676
29	V	L	0.0000
30	D	L	-1.5119
31	S	L	-0.4137	mutated: IS31L
34	Y	L	0.7083
35	G	L	-0.3909
36	N	L	-1.0442
37	S	L	-1.0540
38	F	L	-0.4818
39	M	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	F	L	0.0000	mutated: YF42L
43	R	L	0.0000	mutated: QR43L
44	Q	L	-1.3012
45	K	L	-1.7981
46	P	L	-1.1592
47	G	L	-1.2836
48	Q	L	-1.7482
49	P	L	-1.0299
50	P	L	0.0000
51	K	L	-1.4209
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	F	L	-0.1431	mutated: YF55L
56	L	L	-0.3566
57	A	L	0.0000
65	S	L	-0.6678
66	N	L	-0.6360
67	L	L	-0.2703
68	E	L	-0.5667
69	S	L	-0.5818
70	G	L	-0.5857
71	V	L	0.0000
72	P	L	-0.4454
74	A	L	-0.6385
75	R	L	-1.5411
76	F	L	0.0000
77	N	L	-1.6049	mutated: SN77L
78	G	L	-0.7421
79	G	L	-0.8022	mutated: SG79L
80	G	L	-1.3922
83	S	L	-2.0130
84	R	L	-3.1034
85	T	L	-2.6659
86	D	L	-2.5613
87	F	L	0.0000
88	M	L	-0.5384	mutated: TM88L
89	F	L	0.0000	mutated: LF89L
90	S	L	0.0000	mutated: TS90L
91	I	L	0.0000
92	D	L	-2.5716
93	P	L	-1.5599
94	V	L	0.0000
95	E	L	-1.6196
96	A	L	-1.3799
97	D	L	-2.1048
98	D	L	0.0000
99	A	L	-1.4789
100	A	L	0.0000
101	T	L	-1.0289
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	H	L	0.0000	mutated: QH105L
106	Q	L	0.0000
107	N	L	-0.7660
108	N	L	-1.3819
109	E	L	-1.8649
114	D	L	-2.2915
115	P	L	0.0000
116	W	L	-0.7205	mutated: YW116L
117	T	L	-0.2586
118	F	L	0.0000
119	G	L	0.0000
120	S	L	-0.8142	mutated: GS120L
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.7158
124	L	L	0.0000
125	E	L	-1.2869
126	I	L	-1.0099
127	R	L	-1.4450	mutated: KR127L