Project name: Design11_5_0

Chain sequence(s)	E: NRDAASRADIAERAAALEAEVAARLEAFRARAPELAAEMEAARRRAEEILAERPDLAEALKAAIAAALAPYKEREAATKEKIDKLRQEYAAELGKELGVTPEHVNIVPP; D: KAEEIKAERLRLIEEEEDATRVAAAEARLAAIRAVIPAPDTPEDEVFVRVLELEAAEAALARAVAEPEDEEALRAATEVWKPFGVTLADLRDIAARLHEARRLRRQSYS
Selected Chain(s)	D,E
Distance of aggregation	5 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                                          (00:05:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:19)

• Minimal score value: -2.467
• Maximal score value: 1.7704
• Average score: -0.6323
• Total score value: -137.8397

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	K	D	-1.6989
2	A	D	-0.6074
3	E	D	-2.1365
4	E	D	-2.1378
5	I	D	0.0000
6	K	D	-0.6717
7	A	D	-0.4189
8	E	D	-1.7053
9	R	D	0.0000
10	L	D	0.0252
11	R	D	-1.7420
12	L	D	-0.2137
13	I	D	0.2381
14	E	D	-0.9811
15	E	D	-1.4859
16	E	D	0.0000
17	E	D	-1.1912
18	D	D	-0.4601
19	A	D	-0.0354
20	T	D	-0.3612
21	R	D	-1.8484
22	V	D	0.0000
23	A	D	0.0000
24	A	D	0.0116
25	A	D	-0.1443
26	E	D	-0.8276
27	A	D	0.0000
28	R	D	-1.0889
29	L	D	-0.1279
30	A	D	0.0722
31	A	D	0.0000
32	I	D	0.0149
33	R	D	-1.2199
34	A	D	-0.1116
35	V	D	0.3882
36	I	D	0.0000
37	P	D	-0.3765
38	A	D	-0.0275
39	P	D	-0.5694
40	D	D	-1.8348
41	T	D	-0.4235
42	P	D	-0.4380
43	E	D	-1.1106
44	D	D	-0.8065
45	E	D	-1.7683
46	V	D	-0.0144
47	F	D	0.0000
48	V	D	0.0678
49	R	D	-0.8719
50	V	D	0.0982
51	L	D	-0.0804
52	E	D	-1.8638
53	L	D	0.0000
54	E	D	-0.3909
55	A	D	-0.2293
56	A	D	0.0000
57	E	D	-0.6541
58	A	D	0.0000
59	A	D	0.0085
60	L	D	0.0000
61	A	D	-0.1037
62	R	D	-0.7679
63	A	D	0.0000
64	V	D	0.2131
65	A	D	-0.3731
66	E	D	-1.7906
67	P	D	-0.7168
68	E	D	-1.9641
69	D	D	-1.2645
70	E	D	-1.5747
71	E	D	-2.0272
72	A	D	0.0000
73	L	D	0.0000
74	R	D	-1.8389
75	A	D	-0.3216
76	A	D	0.0000
77	T	D	0.0000
78	E	D	-1.6927
79	V	D	0.3284
80	W	D	0.0000
81	K	D	-1.7454
82	P	D	-0.4684
83	F	D	0.3422
84	G	D	-0.3728
85	V	D	0.0000
86	T	D	0.0261
87	L	D	0.4047
88	A	D	0.0346
89	D	D	-0.5379
90	L	D	0.0000
91	R	D	-1.1281
92	D	D	-0.7782
93	I	D	0.0000
94	A	D	0.0000
95	A	D	-0.2473
96	R	D	-0.9555
97	L	D	-0.0702
98	H	D	-0.6263
99	E	D	-1.2082
100	A	D	0.0000
101	R	D	-0.9176
102	R	D	-2.0289
103	L	D	0.0000
104	R	D	-0.7618
105	R	D	-0.9253
106	Q	D	-1.3070
107	S	D	0.0000
108	Y	D	0.9470
109	S	D	-0.0491
1	N	E	-1.6718
2	R	E	-2.3953
3	D	E	-2.0702
4	A	E	-0.2458
5	A	E	-0.1645
6	S	E	-0.8358
7	R	E	-1.8327
8	A	E	-0.6353
9	D	E	-1.9363
10	I	E	-0.3897
11	A	E	-0.2760
12	E	E	-2.2881
13	R	E	-1.8560
14	A	E	0.0000
15	A	E	-0.2222
16	A	E	-0.0826
17	L	E	-0.0268
18	E	E	-0.6791
19	A	E	-0.2370
20	E	E	-0.8540
21	V	E	0.0000
22	A	E	0.0881
23	A	E	-0.3844
24	R	E	-0.7095
25	L	E	-0.2322
26	E	E	-1.8366
27	A	E	-0.3468
28	F	E	0.1873
29	R	E	-0.7235
30	A	E	-0.3806
31	R	E	-1.8335
32	A	E	0.0000
33	P	E	-0.6029
34	E	E	-1.8627
35	L	E	0.0000
36	A	E	0.0564
37	A	E	-0.2614
38	E	E	-0.7206
39	M	E	-0.2699
40	E	E	-1.4452
41	A	E	-0.2811
42	A	E	-0.1595
43	R	E	-1.5703
44	R	E	-2.4470
45	R	E	-1.6571
46	A	E	0.0000
47	E	E	-2.3197
48	E	E	-2.2798
49	I	E	0.0000
50	L	E	0.1883
51	A	E	-0.3958
52	E	E	-2.1510
53	R	E	-2.2278
54	P	E	-0.9211
55	D	E	-1.7925
56	L	E	-0.0618
57	A	E	-0.3078
58	E	E	-1.9892
59	A	E	-0.3113
60	L	E	0.0000
61	K	E	-1.8777
62	A	E	-0.2545
63	A	E	0.0986
64	I	E	0.4155
65	A	E	0.1328
66	A	E	0.0697
67	A	E	0.1005
68	L	E	0.2206
69	A	E	0.0150
70	P	E	-0.1832
71	Y	E	-0.0618
72	K	E	-1.9585
73	E	E	-2.2686
74	R	E	-1.2392
75	E	E	-1.0291
76	A	E	-0.3790
77	A	E	-0.0209
78	T	E	-0.4249
79	K	E	-1.6080
80	E	E	-2.4670
81	K	E	-1.6890
82	I	E	0.0000
83	D	E	-2.3450
84	K	E	-2.1269
85	L	E	-0.4140
86	R	E	-0.7879
87	Q	E	-1.4703
88	E	E	-1.7289
89	Y	E	-0.1089
90	A	E	0.0000
91	A	E	-0.2441
92	E	E	-0.4141
93	L	E	0.1539
94	G	E	0.0000
95	K	E	-2.0210
96	E	E	-1.8462
97	L	E	1.1436
98	G	E	-0.0330
99	V	E	0.7942
100	T	E	0.0906
101	P	E	-0.4182
102	E	E	-2.0291
103	H	E	-1.3130
104	V	E	-0.2465
105	N	E	-1.1988
106	I	E	0.3241
107	V	E	1.7704
108	P	E	0.0151
109	P	E	-0.2967