Project name: A088

Chain sequence(s)	H: EVKLEESGGGLVQPGGSMKLSCDASGFTFSKYWMNWVRQSPEKGLEWVAEIRLKYNNYATHYAESVKGRFTISRDDSKSSVYLQMNNLRAEDTGIYYCTRDGPMDYWGQGTSVTVSS; L: DIVMTQTPLSLPVSLGDQASISCRSSQSLVHSNGNTYLHWYLQKPGQSPKLLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYFCSQSTHVPWTFGGGTKLEIK
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                                          (00:02:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:05)

• Minimal score value: -2.884
• Maximal score value: 1.1528
• Average score: -0.6791
• Total score value: -155.5127

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	-2.1758
2	V	H	-1.5635
3	K	H	-2.6562
4	L	H	0.0000
5	E	H	-2.4839
6	E	H	0.0000
7	S	H	-1.2689
8	G	H	-0.9379
9	G	H	-0.3847
11	G	H	0.2211
12	L	H	1.1528
13	V	H	-0.0418
14	Q	H	-1.4727
15	P	H	-1.8564
16	G	H	-1.9108
17	G	H	-1.5272
18	S	H	-1.4197
19	M	H	-0.8813
20	K	H	-1.3627
21	L	H	0.0000
22	S	H	-0.9844
23	C	H	0.0000
24	D	H	-2.4005
25	A	H	0.0000
26	S	H	-1.7599
27	G	H	-1.3070
28	F	H	-0.6737
29	T	H	-0.5323
30	F	H	0.0000
35	S	H	-1.2538
36	K	H	-1.5322
37	Y	H	-0.4986
38	W	H	-0.1420
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	-0.5324
45	S	H	0.0000
46	P	H	-1.3561
47	E	H	-2.6150
48	K	H	-2.2117
49	G	H	-1.2909
50	L	H	0.0000
51	E	H	-0.5468
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	E	H	0.0000
56	I	H	0.0000
57	R	H	-0.6162
58	L	H	-0.8746
59	K	H	-1.7731
60	Y	H	-0.2709
61	N	H	-0.9187
62	N	H	-1.5592
63	Y	H	-0.7824
64	A	H	-0.5725
65	T	H	-0.3051
66	H	H	-0.5971
67	Y	H	-0.9400
68	A	H	0.0000
69	E	H	-2.4871
70	S	H	-1.7020
71	V	H	0.0000
72	K	H	-2.5239
74	G	H	-1.7733
75	R	H	-1.6941
76	F	H	0.0000
77	T	H	-0.7675
78	I	H	0.0000
79	S	H	-0.1914
80	R	H	0.0000
81	D	H	-1.3130
82	D	H	-1.6595
83	S	H	-1.3485
84	K	H	-2.3342
85	S	H	-1.6176
86	S	H	0.0000
87	V	H	0.0000
88	Y	H	-0.4612
89	L	H	0.0000
90	Q	H	-0.9192
91	M	H	0.0000
92	N	H	-1.8041
93	N	H	-2.3501
94	L	H	0.0000
95	R	H	-2.4642
96	A	H	-1.6623
97	E	H	-2.5530
98	D	H	0.0000
99	T	H	-0.5902
100	G	H	0.0000
101	I	H	0.3597
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	T	H	0.0000
106	R	H	0.0000
107	D	H	-0.2500
108	G	H	-0.4087
114	P	H	-0.3172
115	M	H	0.0000
116	D	H	-0.3997
117	Y	H	-0.7385
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.9799
121	G	H	-0.9703
122	T	H	0.0000
123	S	H	0.0551
124	V	H	0.0000
125	T	H	-0.0323
126	V	H	0.0000
127	S	H	-0.7252
128	S	H	-0.5584
1	D	L	-1.5219
2	I	L	0.0000
3	V	L	0.7063
4	M	L	0.0000
5	T	L	-0.3666
6	Q	L	0.0000
7	T	L	-0.0214
8	P	L	0.3553
9	L	L	1.1323
10	S	L	0.1052
11	L	L	-0.1772
12	P	L	-0.7875
13	V	L	0.0000
14	S	L	-0.7418
15	L	L	0.0587
16	G	L	-1.1439
17	D	L	-1.7562
18	Q	L	-2.1778
19	A	L	0.0000
20	S	L	-0.7683
21	I	L	0.0000
22	S	L	-0.7360
23	C	L	0.0000
24	R	L	-2.2324
25	S	L	0.0000
26	S	L	-0.9976
27	Q	L	-1.5813
28	S	L	-0.8616
29	L	L	0.0000
30	V	L	0.3065
31	H	L	-0.5412
32	S	L	-0.8412
34	N	L	-1.5724
35	G	L	-0.9931
36	N	L	-0.7866
37	T	L	-0.1352
38	Y	L	0.0408
39	L	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	L	L	0.0000
44	Q	L	-1.0839
45	K	L	-1.4268
46	P	L	-0.9140
47	G	L	-1.4287
48	Q	L	-2.1588
49	S	L	-1.5132
50	P	L	0.0000
51	K	L	-1.6560
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.4356
56	K	L	-0.5672
57	V	L	-0.5983
65	S	L	-0.9293
66	N	L	-1.3586
67	R	L	-1.9146
68	F	L	-0.7923
69	S	L	-0.6512
70	G	L	-0.8980
71	V	L	0.0000
72	P	L	-1.3420
74	D	L	-2.4556
75	R	L	-2.1771
76	F	L	0.0000
77	S	L	-1.3958
78	G	L	-0.8989
79	S	L	-0.8145
80	G	L	-0.9443
83	S	L	-0.6841
84	G	L	-0.7390
85	T	L	-1.4719
86	D	L	-1.9789
87	F	L	0.0000
88	T	L	-0.8950
89	L	L	0.0000
90	K	L	-1.4933
91	I	L	0.0000
92	S	L	-2.3485
93	R	L	-2.8840
94	V	L	0.0000
95	E	L	-1.4596
96	A	L	-0.7384
97	E	L	-1.9433
98	D	L	0.0000
99	L	L	-0.4437
100	G	L	0.0000
101	V	L	-0.1063
102	Y	L	0.0000
103	F	L	0.0000
104	C	L	0.0000
105	S	L	0.0000
106	Q	L	0.0000
107	S	L	-0.1311
108	T	L	0.0000
109	H	L	-0.7598
114	V	L	-0.0247
115	P	L	-0.5768
116	W	L	0.0000
117	T	L	0.0027
118	F	L	0.2732
119	G	L	0.0000
120	G	L	-0.1924
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.6943
124	L	L	0.0000
125	E	L	-0.7663
126	I	L	-0.1645
127	K	L	-1.3034