Project name: f408fbf485d1df1

Chain sequence(s)	H: EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYAMNWVRQAPGKGLEWVSTTSGSGASTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKIWIAFDIWGQGTMVTVSS; L: EIVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPYTFGQGTKLEIK
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                                          (00:01:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:27)

• Minimal score value: -3.4285
• Maximal score value: 1.4473
• Average score: -0.5596
• Total score value: -125.3572

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	-1.9732
2	V	H	-0.9392
3	Q	H	-1.0157
4	L	H	0.0000
5	L	H	0.6791
6	E	H	0.0000
7	S	H	-0.3241
8	G	H	-0.6565
9	G	H	-0.0389
11	G	H	0.6083
12	L	H	1.3045
13	V	H	0.0125
14	Q	H	-1.2957
15	P	H	-1.5627
16	G	H	-1.3996
17	G	H	-1.1156
18	S	H	-0.8981
19	L	H	-0.5110
20	R	H	-1.1246
21	L	H	0.0000
22	S	H	-0.1962
23	C	H	0.0000
24	A	H	-0.3020
25	A	H	0.0000
26	S	H	-0.7782
27	G	H	-1.0502
28	F	H	-0.4167
29	T	H	-0.2270
30	F	H	0.0000
35	S	H	-0.8132
36	S	H	-0.1717
37	Y	H	0.4414
38	A	H	0.2509
39	M	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.7590
45	A	H	-1.1586
46	P	H	-0.9303
47	G	H	-1.4754
48	K	H	-2.3879
49	G	H	-1.6182
50	L	H	0.0000
51	E	H	-1.0010
52	W	H	0.0000
53	V	H	0.0000
54	S	H	0.0000
55	T	H	0.0000
56	T	H	0.0000
57	S	H	-0.0586
58	G	H	-0.2439
59	S	H	-0.4698
62	G	H	-0.4285
63	A	H	-0.1574
64	S	H	-0.0025
65	T	H	0.3302
66	Y	H	0.4036
67	Y	H	-0.4761
68	A	H	-1.2223
69	D	H	-2.4097
70	S	H	-1.7285
71	V	H	0.0000
72	K	H	-2.4937
74	G	H	-1.7228
75	R	H	-1.4296
76	F	H	0.0000
77	T	H	-0.5520
78	I	H	0.0000
79	S	H	-0.3139
80	R	H	-1.0135
81	D	H	-1.6451
82	N	H	-1.8767
83	S	H	-1.6927
84	K	H	-2.5469
85	N	H	-2.0868
86	T	H	-1.1664
87	L	H	0.0000
88	Y	H	-0.2524
89	L	H	0.0000
90	Q	H	-0.6998
91	M	H	0.0000
92	N	H	-1.1793
93	S	H	-1.2173
94	L	H	0.0000
95	R	H	-2.0775
96	A	H	-1.6071
97	E	H	-2.1725
98	D	H	0.0000
99	T	H	-0.4906
100	A	H	0.0000
101	V	H	0.2980
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	K	H	0.0000
107	I	H	0.8835
108	W	H	1.3822
109	I	H	1.4473
114	A	H	0.0000
115	F	H	0.0000
116	D	H	-0.0835
117	I	H	0.0065
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.2106
121	G	H	-0.4307
122	T	H	0.0612
123	M	H	0.6169
124	V	H	0.0000
125	T	H	0.1718
126	V	H	0.0000
127	S	H	-0.6908
128	S	H	-0.5510
1	E	L	-1.5730
2	I	L	0.0000
3	V	L	0.6219
4	L	L	0.0000
5	T	L	-0.8035
6	Q	L	0.0000
7	S	L	-0.9365
8	P	L	-0.6006
9	G	L	-1.0052
10	T	L	-0.7225
11	L	L	-0.2297
12	S	L	-0.1727
13	L	L	-0.5247
14	S	L	-1.0997
15	P	L	-1.6215
16	G	L	-2.1306
17	E	L	-2.9568
18	R	L	-3.0728
19	A	L	0.0000
20	T	L	-0.5586
21	L	L	0.0000
22	S	L	-0.9050
23	C	L	0.0000
24	R	L	-2.3450
25	A	L	0.0000
26	S	L	-1.0260
27	Q	L	-1.6594
28	S	L	-1.3185
29	V	L	0.0000
30	S	L	-0.4107
36	S	L	-0.3944
37	S	L	0.1742
38	Y	L	0.6995
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.2925
46	P	L	-0.9732
47	G	L	-1.3314
48	Q	L	-1.8257
49	A	L	-1.2137
50	P	L	0.0000
51	R	L	-1.1514
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.3184
56	G	L	0.0596
57	A	L	0.0000
65	S	L	-0.6392
66	S	L	-0.5509
67	R	L	-1.1434
68	A	L	-0.6499
69	T	L	-0.5267
70	G	L	-0.8321
71	I	L	0.0000
72	P	L	-1.2513
74	D	L	-2.3464
75	R	L	-2.0240
76	F	L	0.0000
77	S	L	-0.9393
78	G	L	-0.5326
79	S	L	-0.7156
80	G	L	-1.1144
83	S	L	-1.0327
84	G	L	-1.2299
85	T	L	-1.7854
86	D	L	-2.2089
87	F	L	0.0000
88	T	L	-0.8013
89	L	L	0.0000
90	T	L	-0.8244
91	I	L	0.0000
92	S	L	-2.3537
93	R	L	-3.4285
94	L	L	0.0000
95	E	L	-2.0457
96	P	L	-1.2033
97	E	L	-2.0213
98	D	L	0.0000
99	F	L	-0.3156
100	A	L	0.0000
101	V	L	-0.3603
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	G	L	-0.0923
109	S	L	-0.5444
114	S	L	-0.4595
115	P	L	-0.7307
116	Y	L	-0.0409
117	T	L	-0.1778
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.5784
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.1449
124	L	L	0.0000
125	E	L	0.0052
126	I	L	0.8063
127	K	L	-0.8982