Project name: 43a00b6d4d7ad22

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIK
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           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:46)

• Minimal score value: -2.8884
• Maximal score value: 2.2282
• Average score: -0.613
• Total score value: -139.159

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	-2.0366
2	V	H	-1.3419
3	Q	H	-1.3246
4	L	H	0.0000
5	V	H	0.1488
6	E	H	0.0000
7	S	H	-0.3783
8	G	H	-0.6758
9	G	H	0.1583
11	G	H	0.8493
12	L	H	1.3373
13	V	H	0.0000
14	Q	H	-1.3828
15	P	H	-1.5775
16	G	H	-1.4091
17	G	H	-0.9710
18	S	H	-1.1184
19	L	H	-0.7851
20	R	H	-1.6671
21	L	H	0.0000
22	S	H	-0.3834
23	C	H	0.0000
24	A	H	-0.2925
25	A	H	-0.7203
26	S	H	-1.0001
27	G	H	-1.3460
28	F	H	-1.4531
29	N	H	-2.3951
30	I	H	0.0000
35	K	H	-2.5136
36	D	H	-2.8884
37	T	H	0.0000
38	Y	H	-0.4209
39	I	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6147
45	A	H	-1.0220
46	P	H	-0.8116
47	G	H	-1.4625
48	K	H	-2.3867
49	G	H	-1.6787
50	L	H	0.0000
51	E	H	-1.0296
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	R	H	-0.2919
56	I	H	0.0000
57	Y	H	-0.2274
58	P	H	-0.9433
59	T	H	-1.0577
62	N	H	-0.8759
63	G	H	-0.3955
64	Y	H	0.6982
65	T	H	-0.0422
66	R	H	-1.1524
67	Y	H	-1.4522
68	A	H	-1.6350
69	D	H	-2.6105
70	S	H	-1.7552
71	V	H	0.0000
72	K	H	-2.7646
74	G	H	-1.7269
75	R	H	-1.4549
76	F	H	0.0000
77	T	H	-0.9704
78	I	H	0.0000
79	S	H	-0.1023
80	A	H	-0.7589
81	D	H	-1.2516
82	T	H	-1.4883
83	S	H	-1.4971
84	K	H	-2.1994
85	N	H	-1.7386
86	T	H	-0.9002
87	A	H	0.0000
88	Y	H	-0.4199
89	L	H	0.0000
90	Q	H	-1.1308
91	M	H	0.0000
92	N	H	-1.2434
93	S	H	-1.1803
94	L	H	0.0000
95	R	H	-2.1855
96	A	H	-1.6492
97	E	H	-2.1933
98	D	H	0.0000
99	T	H	-0.3425
100	A	H	0.0000
101	V	H	0.7593
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	S	H	0.0000
106	R	H	-0.3323
107	W	H	0.0000
108	G	H	-0.5794
109	G	H	-1.3019
110	D	H	-2.1651
111	G	H	-1.1452
112	F	H	-0.3916
113	Y	H	-0.0013
114	A	H	0.0000
115	M	H	0.0000
116	D	H	0.0000
117	Y	H	-0.6528
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.5601
121	G	H	-0.4368
122	T	H	0.4701
123	L	H	1.6905
124	V	H	0.0000
125	T	H	0.3436
126	V	H	0.0000
127	S	H	-0.5539
128	S	H	-0.5616
1	D	L	-2.2380
2	I	L	0.0000
3	Q	L	-2.3091
4	M	L	0.0000
5	T	L	-1.4523
6	Q	L	0.0000
7	S	L	-0.8933
8	P	L	-0.6318
9	S	L	-0.8787
10	S	L	-0.8908
11	L	L	-0.6604
12	S	L	-0.9519
13	A	L	0.0000
14	S	L	-0.6195
15	V	L	0.3174
16	G	L	-0.6114
17	D	L	-1.5064
18	R	L	-2.1973
19	V	L	0.0000
20	T	L	-0.6199
21	I	L	0.0000
22	T	L	-0.7436
23	C	L	0.0000
24	R	L	-2.7164
25	A	L	0.0000
26	S	L	-2.0442
27	Q	L	-2.4459
28	D	L	-2.0025
29	V	L	0.0000
36	N	L	-1.3902
37	T	L	-0.7512
38	A	L	-0.0533
39	V	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.9072
44	Q	L	0.0000
45	K	L	-1.6965
46	P	L	-1.1633
47	G	L	-1.6582
48	K	L	-2.6814
49	A	L	-1.7653
50	P	L	0.0000
51	K	L	-1.7339
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	1.1600
56	S	L	0.4755
57	A	L	0.0000
65	S	L	0.7520
66	F	L	2.2282
67	L	L	1.5112
68	Y	L	0.6749
69	S	L	0.0727
70	G	L	-0.3842
71	V	L	-0.1979
72	P	L	-0.2604
74	S	L	-0.3489
75	R	L	-0.7388
76	F	L	0.0000
77	S	L	0.1010
78	G	L	0.1176
79	S	L	-0.5232
80	R	L	-1.5448
83	S	L	-1.1949
84	G	L	-1.5827
85	T	L	-1.9313
86	D	L	-1.8807
87	F	L	0.0000
88	T	L	-0.7396
89	L	L	0.0000
90	T	L	-0.6386
91	I	L	0.0000
92	S	L	-1.4055
93	S	L	-1.1193
94	L	L	0.0000
95	Q	L	-0.5447
96	P	L	-0.8710
97	E	L	-1.6294
98	D	L	0.0000
99	F	L	-0.2374
100	A	L	0.0000
101	T	L	-0.8296
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	H	L	0.2904
108	Y	L	0.4767
109	T	L	0.0149
114	T	L	-0.4027
115	P	L	-0.7950
116	P	L	0.0000
117	T	L	-0.7760
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.9135
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.4667
124	V	L	0.0000
125	E	L	-1.2483
126	I	L	-0.5030
127	K	L	-1.4782