Project name: 8OZ3

Chain sequence(s)	H: EVQLLESGGGLVQPGGSLRLSCAASGFNFGYSYMSWVRQAPGKGLEWVSSIGSTSSHTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARVYSSPGIDYWGQGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTITCRASQSIGSTLNWYQQKPGKAPKLLIYGASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYYTWVPFTFGQGTKLEIK
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                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:06)

• Minimal score value: -2.7334
• Maximal score value: 1.6462
• Average score: -0.4748
• Total score value: -107.2949

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	-2.0319
2	V	H	-1.1241
3	Q	H	-0.9173
4	L	H	0.0000
5	L	H	0.9422
6	E	H	0.0000
7	S	H	-0.1330
8	G	H	-0.4894
9	G	H	0.3070
11	G	H	0.8504
12	L	H	1.4144
13	V	H	-0.0362
14	Q	H	-1.3319
15	P	H	-1.6000
16	G	H	-1.4262
17	G	H	-1.1556
18	S	H	-0.9274
19	L	H	-0.5397
20	R	H	-1.1861
21	L	H	0.0000
22	S	H	-0.1643
23	C	H	0.0000
24	A	H	-0.1661
25	A	H	0.0000
26	S	H	-1.1490
27	G	H	-1.3714
28	F	H	-0.8914
29	N	H	-1.0646
30	F	H	0.0000
35	G	H	-0.4362
36	Y	H	1.1175
37	S	H	0.9666
38	Y	H	1.1991
39	M	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	-0.5928
45	A	H	-1.0082
46	P	H	-0.8073
47	G	H	-1.4801
48	K	H	-2.3615
49	G	H	-1.6229
50	L	H	0.0000
51	E	H	-1.0157
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	G	H	0.0000
58	S	H	0.1518
59	T	H	-0.2097
62	S	H	-0.7116
63	S	H	-0.7595
64	H	H	-0.9412
65	T	H	-0.3321
66	Y	H	0.0562
67	Y	H	-0.5617
68	A	H	-1.3470
69	D	H	-2.5135
70	S	H	-1.7037
71	V	H	0.0000
72	K	H	-2.3878
74	G	H	-1.6278
75	R	H	-1.3672
76	F	H	0.0000
77	T	H	-0.6225
78	I	H	0.0000
79	S	H	-0.3562
80	R	H	-1.0358
81	D	H	-1.6875
82	N	H	-2.0399
83	S	H	-1.7856
84	K	H	-2.5774
85	N	H	-2.2177
86	T	H	-1.1460
87	L	H	0.0000
88	Y	H	-0.2785
89	L	H	0.0000
90	Q	H	-0.7388
91	M	H	0.0000
92	N	H	-1.2064
93	S	H	-1.2371
94	L	H	0.0000
95	R	H	-2.1353
96	A	H	-1.6285
97	E	H	-2.1812
98	D	H	0.0000
99	T	H	-0.3064
100	A	H	0.0000
101	V	H	0.8723
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	V	H	0.0000
108	Y	H	1.5971
109	S	H	0.6470
110	S	H	0.2042
113	P	H	0.3630
114	G	H	0.0000
115	I	H	0.0000
116	D	H	0.0000
117	Y	H	0.4374
118	W	H	-0.1339
119	G	H	0.0000
120	Q	H	-1.0987
121	G	H	-0.2161
122	T	H	0.6246
123	L	H	1.6425
124	V	H	0.0000
125	T	H	0.3963
126	V	H	0.0000
127	S	H	-0.5299
128	S	H	-0.5632
1	D	L	-2.1121
2	I	L	0.0000
3	Q	L	-2.2759
4	M	L	0.0000
5	T	L	-1.4550
6	Q	L	0.0000
7	S	L	-0.7225
8	P	L	-0.5715
9	S	L	-0.9555
10	S	L	-1.0990
11	L	L	-0.6131
12	S	L	-0.6849
13	A	L	0.0000
14	S	L	0.0189
15	V	L	0.8868
16	G	L	-0.3448
17	D	L	-1.1937
18	R	L	-2.0602
19	V	L	0.0000
20	T	L	-0.6037
21	I	L	0.0000
22	T	L	-0.8338
23	C	L	0.0000
24	R	L	-2.7334
25	A	L	0.0000
26	S	L	-1.8508
27	Q	L	-1.8570
28	S	L	-1.0841
29	I	L	0.0000
36	G	L	-0.5857
37	S	L	-0.4830
38	T	L	0.0151
39	L	L	0.0000
40	N	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.9827
44	Q	L	0.0000
45	K	L	-1.8950
46	P	L	-1.3033
47	G	L	-1.6479
48	K	L	-2.6147
49	A	L	-1.5684
50	P	L	0.0000
51	K	L	-1.3975
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.1480
56	G	L	-0.1560
57	A	L	0.0000
65	S	L	-0.3132
66	S	L	0.0152
67	L	L	0.2342
68	Q	L	-0.2599
69	S	L	-0.3957
70	G	L	-0.5871
71	V	L	0.0000
72	P	L	-0.4727
74	S	L	-0.4542
75	R	L	-0.7443
76	F	L	0.0000
77	S	L	-0.3390
78	G	L	-0.2866
79	S	L	-0.7069
80	G	L	-1.1362
83	S	L	-1.1206
84	G	L	-1.1520
85	T	L	-1.6587
86	D	L	-2.1001
87	F	L	0.0000
88	T	L	-0.7571
89	L	L	0.0000
90	T	L	-0.6131
91	I	L	0.0000
92	S	L	-1.1778
93	S	L	-0.9118
94	L	L	0.0000
95	Q	L	-0.6398
96	P	L	-0.6324
97	E	L	-1.8366
98	D	L	0.0000
99	F	L	-0.5745
100	A	L	0.0000
101	T	L	-1.2357
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	Y	L	1.1553
109	T	L	0.9343
113	W	L	1.6462
114	V	L	1.0570
115	P	L	0.3011
116	F	L	0.5234
117	T	L	-0.4960
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.8155
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-2.1532
124	L	L	0.0000
125	E	L	-0.7942
126	I	L	0.9900
127	K	L	-0.7442