Project name: 333

Chain sequence(s)	Q: FEIGTESVEDLGDKDSCPVDNLTPAESEARNVYLPVEFPVAYTAAPKDPLSVVEEDVEYGSEVGTSLRAKDVTAEGFDVHVSAWCDTHLYTLPVTWLAVPDVYAPVAPVPA; T: VCTEPLGLKDNTIPNKQITASSYYKTWGLSAFSWFPYYARLDNQGKFNAWTAQTNSASEWLQIDLGSQKRVTGIITQGARDFGHIQYVAAYRVAYGDDGVTWTEYKDPGASESKIFPGNMDNNSHKKNIFETPFQARFVRIQPVAWHNRITLRVELLGC
Selected Chain(s)	Q,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                                          (00:10:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:53)

• Minimal score value: -3.2799
• Maximal score value: 2.9442
• Average score: -0.3185
• Total score value: -85.9949

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	F	Q	2.3880
2	E	Q	0.7750
3	I	Q	0.8854
4	G	Q	0.0000
5	T	Q	0.0000
6	E	Q	0.0000
7	S	Q	0.0000
8	V	Q	0.0000
9	E	Q	0.0000
10	D	Q	0.0000
11	L	Q	0.0000
12	G	Q	0.0000
13	D	Q	0.0000
14	K	Q	-2.3900
15	D	Q	-2.0731
16	S	Q	0.0000
17	C	Q	-0.5883
18	P	Q	-0.9995
19	V	Q	-0.9332
20	D	Q	-2.1302
21	N	Q	-1.7208
22	L	Q	-0.6899
23	T	Q	-0.3673
24	P	Q	-0.4133
25	A	Q	-0.2197
26	E	Q	-0.9712
27	S	Q	-1.6142
28	E	Q	-2.3988
29	A	Q	0.0000
30	R	Q	-1.4254
31	N	Q	0.0000
32	V	Q	0.0000
33	Y	Q	0.0000
34	L	Q	0.0000
35	P	Q	0.0000
36	V	Q	0.0000
37	E	Q	0.0000
38	F	Q	0.0000
39	P	Q	0.2887
40	V	Q	0.9419
41	A	Q	-0.4771
42	Y	Q	0.0000
43	T	Q	-0.3892
44	A	Q	-0.4220
45	A	Q	0.0000
46	P	Q	0.0000
47	K	Q	0.0000
48	D	Q	0.0000
49	P	Q	0.0000
50	L	Q	0.0000
51	S	Q	0.0000
52	V	Q	0.0000
53	V	Q	0.0000
54	E	Q	-1.7051
55	E	Q	0.0000
56	D	Q	0.0000
57	V	Q	0.0000
58	E	Q	-0.7559
59	Y	Q	0.3562
60	G	Q	-0.6360
61	S	Q	-1.1864
62	E	Q	-1.6830
63	V	Q	-0.2382
64	G	Q	-0.1670
65	T	Q	0.0000
66	S	Q	0.0000
67	L	Q	0.0000
68	R	Q	0.0000
69	A	Q	0.0000
70	K	Q	0.0000
71	D	Q	0.0000
72	V	Q	0.0000
73	T	Q	0.0000
74	A	Q	0.0000
75	E	Q	-1.7000
76	G	Q	0.0000
77	F	Q	0.0000
78	D	Q	0.0000
79	V	Q	0.0000
80	H	Q	0.0000
81	V	Q	0.0000
82	S	Q	0.0000
83	A	Q	0.0000
84	W	Q	-0.7685
85	C	Q	-1.2044
86	D	Q	-2.3801
87	T	Q	0.0000
88	H	Q	-1.3366
89	L	Q	0.0000
90	Y	Q	-0.5526
91	T	Q	0.0000
92	L	Q	0.0000
93	P	Q	0.0000
94	V	Q	0.0000
95	T	Q	0.0000
96	W	Q	0.0000
97	L	Q	0.0000
98	A	Q	0.0000
99	V	Q	0.0000
100	P	Q	0.0000
101	D	Q	0.8330
102	V	Q	2.6336
103	Y	Q	2.6642
104	A	Q	1.5273
105	P	Q	0.5508
106	V	Q	0.0000
107	A	Q	-0.1358
108	P	Q	-0.3569
109	V	Q	-0.3237
110	P	Q	-0.6052
111	A	Q	-0.6961
1	V	T	2.9442
2	C	T	0.0000
3	T	T	0.0000
4	E	T	0.6658
5	P	T	-0.2629
6	L	T	0.0000
7	G	T	0.0000
8	L	T	0.0000
9	K	T	-2.9598
10	D	T	-3.2799
11	N	T	-2.7986
12	T	T	-1.5972
13	I	T	0.0000
14	P	T	-1.4202
15	N	T	-1.8085
16	K	T	-2.1919
17	Q	T	-1.2846
18	I	T	0.0000
19	T	T	-0.2972
20	A	T	0.1717
21	S	T	-0.0613
22	S	T	-0.0321
23	Y	T	-0.1009
24	Y	T	-0.3708
25	K	T	-0.1825
26	T	T	0.0000
27	W	T	1.1551
28	G	T	0.3611
29	L	T	0.8698
30	S	T	0.3190
31	A	T	0.4935
32	F	T	0.5897
33	S	T	0.0000
34	W	T	0.0000
35	F	T	0.7268
36	P	T	0.0000
37	Y	T	-0.0818
38	Y	T	0.3843
39	A	T	0.0000
40	R	T	0.0000
41	L	T	0.0000
42	D	T	-1.7272
43	N	T	-1.8366
44	Q	T	-1.9543
45	G	T	-1.8730
46	K	T	-2.1524
47	F	T	-0.8888
48	N	T	0.0000
49	A	T	0.0000
50	W	T	0.0000
51	T	T	0.0000
52	A	T	0.0000
53	Q	T	-1.3984
54	T	T	-1.8830
55	N	T	0.0000
56	S	T	0.0000
57	A	T	0.0000
58	S	T	-0.1860
59	E	T	0.0000
60	W	T	0.2154
61	L	T	0.0000
62	Q	T	0.0000
63	I	T	0.0000
64	D	T	0.0000
65	L	T	0.0000
66	G	T	0.0639
67	S	T	0.0201
68	Q	T	-0.9801
69	K	T	0.0000
70	R	T	-0.1602
71	V	T	0.0000
72	T	T	0.0000
73	G	T	0.0000
74	I	T	0.0000
75	I	T	0.0000
76	T	T	0.0000
77	Q	T	0.0000
78	G	T	0.0000
79	A	T	0.0000
80	R	T	-1.8680
81	D	T	0.0000
82	F	T	-0.0818
83	G	T	-0.3443
84	H	T	-0.4621
85	I	T	-0.5176
86	Q	T	0.0000
87	Y	T	0.0000
88	V	T	0.0000
89	A	T	0.2753
90	A	T	0.0000
91	Y	T	0.0000
92	R	T	-0.6045
93	V	T	0.0000
94	A	T	0.0000
95	Y	T	0.0000
96	G	T	0.0000
97	D	T	-2.6051
98	D	T	-1.9364
99	G	T	-0.5415
100	V	T	1.0206
101	T	T	0.1851
102	W	T	-0.3044
103	T	T	-1.0488
104	E	T	-2.1909
105	Y	T	0.0000
106	K	T	-2.7565
107	D	T	-2.0584
108	P	T	-1.4204
109	G	T	-1.0987
110	A	T	-1.2952
111	S	T	-1.5769
112	E	T	-2.4773
113	S	T	-2.0589
114	K	T	-1.5767
115	I	T	-0.0399
116	F	T	0.0000
117	P	T	-0.0883
118	G	T	0.0000
119	N	T	0.0000
120	M	T	0.7217
121	D	T	-0.4210
122	N	T	-1.0670
123	N	T	-1.2022
124	S	T	-0.6650
125	H	T	0.0000
126	K	T	-0.6242
127	K	T	-0.5824
128	N	T	0.0000
129	I	T	0.3175
130	F	T	0.0000
131	E	T	-1.8519
132	T	T	-1.0904
133	P	T	-0.1915
134	F	T	-0.2258
135	Q	T	-1.0713
136	A	T	0.0000
137	R	T	-1.6913
138	F	T	0.0000
139	V	T	0.0000
140	R	T	-0.3697
141	I	T	0.0000
142	Q	T	-0.1784
143	P	T	0.0000
144	V	T	0.0000
145	A	T	0.0000
146	W	T	0.0000
147	H	T	0.0000
148	N	T	0.0000
149	R	T	-0.7300
150	I	T	0.0000
151	T	T	0.0000
152	L	T	0.0000
153	R	T	0.0000
154	V	T	0.0000
155	E	T	0.0000
156	L	T	0.0000
157	L	T	0.0000
158	G	T	0.0000
159	C	T	0.0000