Project name: 5GRJ

Chain sequence(s)	H: EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYIMMWVRQAPGKGLEWVSSIYPSGGITFYADTVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARIKLGTVTTVDYWGQGTLVTVSS; L: QSALTQPASVSGSPGQSITISCTGTSSDVGGYNYVSWYQQHPGKAPKLMIYDVSNRPSGVSNRFSGSKSGNTASLTISGLQAEDEADYYCSSYTSSSTRVFGTGTKVTVL
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                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:53)

• Minimal score value: -2.6579
• Maximal score value: 1.7184
• Average score: -0.4737
• Total score value: -108.9427

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	E	H	-1.9364
2	V	H	-0.8019
3	Q	H	-0.6646
4	L	H	0.0000
5	L	H	0.9018
6	E	H	0.2173
7	S	H	-0.1116
8	G	H	-0.5703
9	G	H	0.2332
11	G	H	0.8227
12	L	H	1.3935
13	V	H	-0.0540
14	Q	H	-1.3457
15	P	H	-1.6640
16	G	H	-1.5049
17	G	H	-1.1204
18	S	H	-1.2073
19	L	H	-0.6324
20	R	H	-1.2077
21	L	H	0.0000
22	S	H	-0.2510
23	C	H	0.0000
24	A	H	-0.1290
25	A	H	0.0000
26	S	H	-0.6283
27	G	H	-1.0401
28	F	H	-0.4097
29	T	H	-0.2242
30	F	H	0.0000
35	S	H	-0.7448
36	S	H	0.0264
37	Y	H	0.3841
38	I	H	0.0000
39	M	H	0.0000
40	M	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6103
45	A	H	-1.0086
46	P	H	-0.8135
47	G	H	-1.4786
48	K	H	-2.1795
49	G	H	-1.3522
50	L	H	0.0000
51	E	H	-0.9269
52	W	H	0.0000
53	V	H	0.0000
54	S	H	0.0000
55	S	H	0.0000
56	I	H	0.0000
57	Y	H	0.7747
58	P	H	-0.0117
59	S	H	-0.2376
62	G	H	-0.0252
63	G	H	0.3225
64	I	H	1.7184
65	T	H	1.0621
66	F	H	0.5338
67	Y	H	-0.6722
68	A	H	0.0000
69	D	H	-2.6579
70	T	H	-1.8973
71	V	H	0.0000
72	K	H	-2.5151
74	G	H	-1.7513
75	R	H	-1.5300
76	F	H	0.0000
77	T	H	-0.6846
78	I	H	0.0000
79	S	H	-0.0942
80	R	H	-0.9560
81	D	H	-1.5533
82	N	H	-1.7861
83	S	H	-1.6266
84	K	H	-2.4215
85	N	H	-1.8321
86	T	H	-1.0429
87	L	H	0.0000
88	Y	H	-0.2942
89	L	H	0.0000
90	Q	H	-0.8195
91	M	H	0.0000
92	N	H	-1.5378
93	S	H	-1.4041
94	L	H	0.0000
95	R	H	-2.3148
96	A	H	-1.6805
97	E	H	-2.2171
98	D	H	0.0000
99	T	H	-0.3530
100	A	H	0.0000
101	V	H	0.7178
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	I	H	0.0000
108	K	H	0.3476
109	L	H	0.9383
110	G	H	0.1902
111	T	H	0.0000
112	V	H	0.7578
113	T	H	0.0000
114	T	H	0.0000
115	V	H	0.0000
116	D	H	-0.0057
117	Y	H	0.2889
118	W	H	-0.0945
119	G	H	0.0000
120	Q	H	-1.1578
121	G	H	0.0000
122	T	H	0.5085
123	L	H	1.5207
124	V	H	0.0000
125	T	H	0.3313
126	V	H	0.0000
127	S	H	-0.7310
128	S	H	-0.7032
1	Q	L	-1.7706
2	S	L	-0.7974
3	A	L	-0.4886
4	L	L	0.0000
5	T	L	-0.1718
6	Q	L	0.0000
7	P	L	-0.3123
8	A	L	-0.4503
9	S	L	-0.7162
11	V	L	-0.1669
12	S	L	-0.1023
13	G	L	0.0000
14	S	L	-0.0833
15	P	L	-0.7747
16	G	L	-1.4484
17	Q	L	-1.5854
18	S	L	-1.0856
19	I	L	-0.3086
20	T	L	-0.0563
21	I	L	0.0000
22	S	L	-0.1968
23	C	L	0.0000
24	T	L	-0.4923
25	G	L	-0.6078
26	T	L	-0.6633
27	S	L	-0.8039
28	S	L	-0.5471
29	D	L	0.0000
30	V	L	0.0000
31	G	L	-1.1489
35	G	L	-0.8363
36	Y	L	-0.3834
37	N	L	-1.0531
38	Y	L	-0.0434
39	V	L	0.0000
40	S	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	H	L	-1.7220
46	P	L	-1.3039
47	G	L	-1.6110
48	K	L	-2.4674
49	A	L	-1.4592
50	P	L	0.0000
51	K	L	-1.0240
52	L	L	-0.3177
53	M	L	0.0000
54	I	L	0.0000
55	Y	L	-0.7290
56	D	L	-0.9389
57	V	L	-0.7874
65	S	L	-1.1333
66	N	L	-1.6319
67	R	L	-1.6955
68	P	L	-0.8500
69	S	L	-0.7163
70	G	L	-0.7625
71	V	L	-0.8466
72	S	L	-0.9873
74	N	L	-1.6263
75	R	L	-1.0756
76	F	L	0.0000
77	S	L	-0.8952
78	G	L	-0.6702
79	S	L	-0.7826
80	K	L	-1.0251
83	S	L	-0.8751
84	G	L	-1.1848
85	N	L	-1.3068
86	T	L	-0.8447
87	A	L	0.0000
88	S	L	-0.3147
89	L	L	0.0000
90	T	L	-0.2270
91	I	L	0.0000
92	S	L	-1.0601
93	G	L	-1.1649
94	L	L	0.0000
95	Q	L	-1.6576
96	A	L	-1.1880
97	E	L	-2.2189
98	D	L	0.0000
99	E	L	-1.6261
100	A	L	0.0000
101	D	L	-1.4239
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	S	L	0.0000
106	S	L	0.0000
107	Y	L	0.1458
108	T	L	0.0000
109	S	L	-0.3729
113	S	L	-0.4189
114	S	L	-0.0836
115	T	L	-0.3124
116	R	L	0.0000
117	V	L	0.0000
118	F	L	0.0000
119	G	L	0.0000
120	T	L	-0.4767
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.7652
124	V	L	0.0000
125	T	L	-0.4880
126	V	L	0.0741
127	L	L	1.2367