Project name: 2ffa3d60296c623

Chain sequence(s)	A: RADARADARADARADA; C: RADARADARADARADA; B: RADARADARADARADA; E: RADARADARADARADA; D: RADARADARADARADA; G: RADARADARADARADA; F: RADARADARADARADA; I: RADARADARADARADA; H: RADARADARADARADA; K: RADARADARADARADA; J: RADARADARADARADA; M: RADARADARADARADA; L: RADARADARADARADA; O: RADARADARADARADA; N: RADARADARADARADA; Q: RADARADARADARADA; P: RADARADARADARADA; S: RADARADARADARADA; R: RADARADARADARADA; T: RADARADARADARADA
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,M,L,O,N,Q,P,S,R,T
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                                          (00:13:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:13:25)

• Minimal score value: -2.6222
• Maximal score value: 0.0
• Average score: -0.7681
• Total score value: -245.781

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	R	A	-2.2863
2	A	A	-1.0663
3	D	A	0.0000
4	A	A	-0.3033
5	R	A	-0.6413
6	A	A	-0.3366
7	D	A	0.0000
8	A	A	-0.2964
9	R	A	-0.5916
10	A	A	-0.3141
11	D	A	0.0000
12	A	A	-0.5515
13	R	A	-1.5486
14	A	A	-1.2519
15	D	A	-1.6363
16	A	A	-0.9192
1	R	B	-2.6206
2	A	B	-1.3393
3	D	B	0.0000
4	A	B	-0.5024
5	R	B	-0.7567
6	A	B	-0.3287
7	D	B	0.0000
8	A	B	-0.2694
9	R	B	-0.6898
10	A	B	-0.2833
11	D	B	0.0000
12	A	B	-0.2227
13	R	B	-1.0666
14	A	B	-1.0108
15	D	B	-1.5638
16	A	B	-0.8543
1	R	C	-2.1927
2	A	C	-0.9861
3	D	C	0.0000
4	A	C	-0.3469
5	R	C	-0.7683
6	A	C	-0.3643
7	D	C	0.0000
8	A	C	-0.3069
9	R	C	-0.7207
10	A	C	-0.3651
11	D	C	0.0000
12	A	C	-0.5160
13	R	C	-1.6473
14	A	C	-1.4299
15	D	C	-1.9226
16	A	C	-1.0710
1	R	D	-2.6222
2	A	D	-1.3362
3	D	D	-1.1237
4	A	D	-0.5008
5	R	D	-0.7820
6	A	D	-0.3743
7	D	D	0.0000
8	A	D	-0.3409
9	R	D	-0.8216
10	A	D	-0.5128
11	D	D	-0.7467
12	A	D	-0.4868
13	R	D	-1.3386
14	A	D	-1.1279
15	D	D	-1.5795
16	A	D	-0.8976
1	R	E	-2.4932
2	A	E	-1.2321
3	D	E	-1.1087
4	A	E	-0.6525
5	R	E	-1.0910
6	A	E	-0.5349
7	D	E	0.0000
8	A	E	-0.3490
9	R	E	-0.7663
10	A	E	-0.3627
11	D	E	0.0000
12	A	E	-0.3978
13	R	E	-1.3496
14	A	E	-1.1825
15	D	E	-1.6625
16	A	E	-0.9380
1	R	F	-2.2446
2	A	F	-1.0422
3	D	F	0.0000
4	A	F	-0.3494
5	R	F	-0.6463
6	A	F	-0.2950
7	D	F	0.0000
8	A	F	-0.2283
9	R	F	-0.7033
10	A	F	-0.4816
11	D	F	-0.7623
12	A	F	-0.5408
13	R	F	-1.4379
14	A	F	-1.2164
15	D	F	-1.6829
16	A	F	-0.9457
1	R	G	-2.4433
2	A	G	-1.1538
3	D	G	0.0000
4	A	G	-0.4554
5	R	G	-0.8955
6	A	G	-0.4158
7	D	G	0.0000
8	A	G	-0.1419
9	R	G	-0.4758
10	A	G	-0.2204
11	D	G	0.0000
12	A	G	-0.3013
13	R	G	-1.0964
14	A	G	-1.0086
15	D	G	-1.4203
16	A	G	-0.7832
1	R	H	-1.8290
2	A	H	-0.7913
3	D	H	0.0000
4	A	H	-0.2885
5	R	H	-0.5890
6	A	H	-0.2846
7	D	H	0.0000
8	A	H	-0.2413
9	R	H	-0.6667
10	A	H	-0.3819
11	D	H	-0.5824
12	A	H	-0.4127
13	R	H	-1.2589
14	A	H	-1.0502
15	D	H	-1.4471
16	A	H	-0.8233
1	R	I	-1.9561
2	A	I	-0.8571
3	D	I	0.0000
4	A	I	-0.3106
5	R	I	-0.6704
6	A	I	-0.3386
7	D	I	0.0000
8	A	I	-0.4072
9	R	I	-0.8626
10	A	I	-0.4023
11	D	I	0.0000
12	A	I	-0.2512
13	R	I	-1.0696
14	A	I	-1.0454
15	D	I	-1.4743
16	A	I	-0.8697
1	R	J	-2.4233
2	A	J	-1.1951
3	D	J	0.0000
4	A	J	-0.2062
5	R	J	-0.5945
6	A	J	-0.3942
7	D	J	-0.6344
8	A	J	-0.4340
9	R	J	-0.8043
10	A	J	-0.3769
11	D	J	0.0000
12	A	J	-0.3578
13	R	J	-1.1971
14	A	J	-0.9625
15	D	J	0.0000
16	A	J	-0.7446
1	R	K	-2.3269
2	A	K	-1.1424
3	D	K	-1.0500
4	A	K	-0.5726
5	R	K	-1.0204
6	A	K	-0.5135
7	D	K	0.0000
8	A	K	-0.3307
9	R	K	-0.8140
10	A	K	-0.4133
11	D	K	0.0000
12	A	K	-0.3016
13	R	K	-1.1223
14	A	K	-1.1974
15	D	K	-1.6848
16	A	K	-0.9978
1	R	L	-2.4858
2	A	L	-1.3137
3	D	L	0.0000
4	A	L	-0.4648
5	R	L	-0.9116
6	A	L	-0.4512
7	D	L	0.0000
8	A	L	-0.2631
9	R	L	-0.8030
10	A	L	-0.5619
11	D	L	-0.9258
12	A	L	-0.6883
13	R	L	-1.5970
14	A	L	-1.1988
15	D	L	0.0000
16	A	L	-0.8717
1	R	M	-2.5035
2	A	M	-1.3143
3	D	M	-1.3377
4	A	M	-0.8455
5	R	M	-1.4709
6	A	M	-0.7620
7	D	M	0.0000
8	A	M	-0.3672
9	R	M	-0.8019
10	A	M	-0.4477
11	D	M	0.0000
12	A	M	-0.6518
13	R	M	-1.6523
14	A	M	-1.3139
15	D	M	0.0000
16	A	M	-0.9316
1	R	N	-2.5944
2	A	N	-1.5722
3	D	N	-1.2435
4	A	N	-0.6392
5	R	N	-0.9336
6	A	N	-0.4860
7	D	N	0.0000
8	A	N	-0.6008
9	R	N	-1.3688
10	A	N	-0.8929
11	D	N	-1.1945
12	A	N	-0.8568
13	R	N	-1.8099
14	A	N	-1.3598
15	D	N	-1.7185
16	A	N	-0.9534
1	R	O	-2.3271
2	A	O	-1.1464
3	D	O	0.0000
4	A	O	-0.5896
5	R	O	-1.3261
6	A	O	-0.8205
7	D	O	-1.0980
8	A	O	-0.7759
9	R	O	-1.2486
10	A	O	-0.5384
11	D	O	0.0000
12	A	O	-0.4585
13	R	O	-1.5749
14	A	O	-1.2862
15	D	O	-1.7357
16	A	O	-0.9178
1	R	P	-2.0771
2	A	P	-0.9910
3	D	P	0.0000
4	A	P	-0.3475
5	R	P	-0.6599
6	A	P	-0.4566
7	D	P	-0.7788
8	A	P	-0.6414
9	R	P	-1.1424
10	A	P	-0.5928
11	D	P	0.0000
12	A	P	-0.3378
13	R	P	-1.0714
14	A	P	-0.8881
15	D	P	-1.3056
16	A	P	-0.7581
1	R	Q	-1.7091
2	A	Q	-0.7059
3	D	Q	0.0000
4	A	Q	-0.1779
5	R	Q	-0.5629
6	A	Q	-0.2774
7	D	Q	0.0000
8	A	Q	-0.3269
9	R	Q	-0.7250
10	A	Q	-0.2669
11	D	Q	0.0000
12	A	Q	-0.1806
13	R	Q	-1.0389
14	A	Q	-0.9695
15	D	Q	-1.4724
16	A	Q	-0.8379
1	R	R	-2.2712
2	A	R	-1.0041
3	D	R	0.0000
4	A	R	-0.1662
5	R	R	-0.4471
6	A	R	-0.1964
7	D	R	0.0000
8	A	R	-0.1467
9	R	R	-0.4727
10	A	R	-0.1971
11	D	R	0.0000
12	A	R	-0.1692
13	R	R	-0.9477
14	A	R	-0.8678
15	D	R	-1.3694
16	A	R	-0.7578
1	R	S	-2.1533
2	A	S	-0.9808
3	D	S	0.0000
4	A	S	-0.3864
5	R	S	-0.7121
6	A	S	-0.2728
7	D	S	0.0000
8	A	S	-0.2698
9	R	S	-0.7023
10	A	S	-0.3248
11	D	S	0.0000
12	A	S	-0.3471
13	R	S	-1.3126
14	A	S	-1.2780
15	D	S	-1.8551
16	A	S	-1.0549
1	R	T	-2.4626
2	A	T	-1.1936
3	D	T	0.0000
4	A	T	-0.2473
5	R	T	-0.5497
6	A	T	-0.2284
7	D	T	0.0000
8	A	T	-0.1612
9	R	T	-0.4464
10	A	T	-0.2127
11	D	T	0.0000
12	A	T	-0.1708
13	R	T	-0.9697
14	A	T	-0.9165
15	D	T	-1.4455
16	A	T	-0.8434