Project name: csga-asyn (cluster3)

Chain sequence(s)	A: SSQITFNTTQQGDMYTIIPEVTLTQSCLCRVQILSLREGSSGQSQTKQEKTLSLPANQPIALTKLSLNISPDDRVKIVVTVSDGQSLHLSQQWPP; B: VLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQ
Selected Chain(s)	A,B
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: -4.1636
• Maximal score value: 3.1302
• Average score: -0.5819
• Total score value: -91.936

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
3	S	A	-0.6718
4	S	A	-0.6671
5	Q	A	0.0000
6	I	A	0.0000
7	T	A	-1.0081
8	F	A	0.0000
9	N	A	0.0725
10	T	A	0.0000
11	T	A	1.4118
12	Q	A	0.5090
13	Q	A	-1.1320
14	G	A	-1.4222
15	D	A	-1.6672
16	M	A	-0.8965
17	Y	A	-0.0027
18	T	A	-0.4090
19	I	A	0.0000
20	I	A	-0.4409
21	P	A	0.0000
22	E	A	-0.4071
23	V	A	0.0000
24	T	A	-0.8597
25	L	A	0.0000
26	T	A	-1.3271
27	Q	A	-1.6346
28	S	A	-0.8509
29	C	A	0.0722
30	L	A	0.9372
31	C	A	0.0000
32	R	A	-2.7818
33	V	A	0.0000
34	Q	A	-2.7712
35	I	A	0.0000
36	L	A	-1.2665
37	S	A	0.0000
38	L	A	-1.3964
39	R	A	-2.0583
40	E	A	-2.7770
41	G	A	-2.2902
42	S	A	-1.4599
43	S	A	-1.1052
44	G	A	-1.5061
45	Q	A	-2.3964
46	S	A	-1.5275
47	Q	A	-1.8385
48	T	A	-1.5702
49	K	A	-2.8588
50	Q	A	-3.4159
51	E	A	-4.1636
52	K	A	-3.5142
53	T	A	-1.8645
54	L	A	-0.4393
55	S	A	0.1352
56	L	A	0.0000
57	P	A	-0.7468
58	A	A	-1.5259
59	N	A	-2.0693
60	Q	A	-1.7637
61	P	A	-0.7670
62	I	A	0.0210
63	A	A	-0.1057
64	L	A	-0.1235
65	T	A	-0.8938
66	K	A	-1.6386
67	L	A	0.0000
68	S	A	-0.5645
69	L	A	-0.3844
70	N	A	-0.9253
71	I	A	-1.1664
72	S	A	-1.4324
73	P	A	-1.6094
74	D	A	-2.6105
75	D	A	-2.7160
76	R	A	-3.0356
77	V	A	-1.8943
78	K	A	-1.3050
79	I	A	0.0000
80	V	A	-0.1748
81	V	A	0.0000
82	T	A	-0.8596
83	V	A	0.0000
84	S	A	-1.4067
85	D	A	-1.3735
86	G	A	-1.5474
87	Q	A	-1.7279
88	S	A	-1.0693
89	L	A	-0.8455
90	H	A	-1.3695
91	L	A	-0.3385
92	S	A	-0.4890
93	Q	A	0.0000
94	Q	A	-0.3462
95	W	A	0.0000
96	P	A	-0.3449
97	P	A	-0.9131
37	V	B	2.7628
38	L	B	3.1302
39	Y	B	2.8615
40	V	B	2.6722
41	G	B	0.6939
42	S	B	-0.0022
43	K	B	-1.7818
44	T	B	0.0000
45	K	B	-1.7738
46	E	B	-1.7795
47	G	B	-0.9865
48	V	B	-0.2350
49	V	B	0.7527
50	H	B	-0.1967
51	G	B	0.1220
52	V	B	1.4714
53	A	B	1.0536
54	T	B	1.2458
55	V	B	1.1568
56	A	B	-0.4348
57	E	B	-2.4119
58	K	B	-3.3814
59	T	B	-2.5356
60	K	B	-3.5215
61	E	B	-3.2982
62	Q	B	-1.9234
63	V	B	0.3494
64	T	B	0.0579
65	N	B	-0.1953
66	V	B	0.7800
67	G	B	0.0161
68	G	B	-0.0096
69	A	B	0.7188
70	V	B	2.1224
71	V	B	2.5995
72	T	B	1.3827
73	G	B	0.8431
74	V	B	2.2834
75	T	B	1.5226
76	A	B	1.4517
77	V	B	2.1045
78	A	B	0.4806
79	Q	B	-0.5382
80	K	B	-1.4648
81	T	B	-1.0141
82	V	B	-1.0392
83	E	B	-1.9476
84	G	B	-1.3496
85	A	B	-0.6050
86	G	B	-0.4719
87	S	B	0.4420
88	I	B	2.0034
89	A	B	1.5202
90	A	B	0.8638
91	A	B	0.8615
92	T	B	0.7592
93	G	B	0.6359
94	F	B	2.0545
95	V	B	1.4176
96	K	B	-1.6126
97	K	B	-3.2870
98	D	B	-3.5775
99	Q	B	-2.4315