Project name: T135D

Chain sequence(s)	A: TSQVRQNYHQDSEAAINRQINLELYASYVYLSMSYYFDRDDVALKNFAKYFLHQSHEEREHAEKLMKLQNQRGGRIFLQDIQKPDCDDWESGLNAMECALHLEKNVNQSLLELHKLATDKNDPHLCDFIEDHYLNEQVKAIKELGDHVTNLRKMGAPESGLAEYLFDKHTLG
Selected Chain(s)	A
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 A 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                                          (00:03:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:51)

• Minimal score value: -3.5617
• Maximal score value: 2.0379
• Average score: -1.1557
• Total score value: -198.778

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
5	T	A	-0.4954
6	S	A	-0.9722
7	Q	A	-0.9563
8	V	A	-0.2536
9	R	A	-1.4708
10	Q	A	-1.9770
11	N	A	-2.6119
12	Y	A	0.0000
13	H	A	-2.4416
14	Q	A	-2.4769
15	D	A	-2.4485
16	S	A	0.0000
17	E	A	-1.5227
18	A	A	-1.2183
19	A	A	-1.3182
20	I	A	0.0000
21	N	A	-0.2400
22	R	A	-1.0500
23	Q	A	0.0000
24	I	A	0.0000
25	N	A	-0.5073
26	L	A	-0.3042
27	E	A	0.0000
28	L	A	-0.5189
29	Y	A	-0.1133
30	A	A	0.0000
31	S	A	0.0000
32	Y	A	0.3589
33	V	A	0.0000
34	Y	A	0.0000
35	L	A	0.8577
36	S	A	0.0449
37	M	A	0.0000
38	S	A	0.0000
39	Y	A	0.3094
40	Y	A	0.0000
41	F	A	0.0000
42	D	A	-2.8577
43	R	A	-2.9395
44	D	A	-3.3729
45	D	A	-3.0031
46	V	A	-1.9803
47	A	A	-1.8390
48	L	A	-1.6745
49	K	A	-2.3821
50	N	A	-1.7742
51	F	A	0.0000
52	A	A	0.0000
53	K	A	-1.7365
54	Y	A	-0.9152
55	F	A	0.0000
56	L	A	-0.4814
57	H	A	-1.6789
58	Q	A	-1.5809
59	S	A	0.0000
60	H	A	-2.4014
61	E	A	-2.9329
62	E	A	0.0000
63	R	A	-2.7469
64	E	A	-3.5617
65	H	A	0.0000
66	A	A	0.0000
67	E	A	-3.1846
68	K	A	-2.6092
69	L	A	0.0000
70	M	A	-2.0160
71	K	A	-2.9413
72	L	A	0.0000
73	Q	A	0.0000
74	N	A	-2.6575
75	Q	A	-2.3607
76	R	A	-2.1123
77	G	A	0.0000
78	G	A	0.0000
79	R	A	-1.4024
80	I	A	0.4916
81	F	A	2.0379
82	L	A	1.2956
83	Q	A	-1.1511
84	D	A	-2.3008
85	I	A	-1.2134
86	Q	A	-2.4755
87	K	A	-2.8200
88	P	A	-1.9899
89	D	A	-2.8152
90	C	A	-2.4157
91	D	A	-3.3174
92	D	A	-3.3038
93	W	A	0.0000
94	E	A	-2.6434
95	S	A	-1.7024
96	G	A	0.0000
97	L	A	0.0000
98	N	A	-1.3408
99	A	A	0.0000
100	M	A	0.0000
101	E	A	-1.3880
102	C	A	-0.7882
103	A	A	0.0000
104	L	A	-1.4432
105	H	A	-1.8247
106	L	A	0.0000
107	E	A	0.0000
108	K	A	-2.1225
109	N	A	-2.3754
110	V	A	0.0000
111	N	A	-1.3696
112	Q	A	-1.9931
113	S	A	0.0000
114	L	A	0.0000
115	L	A	-1.3478
116	E	A	-2.3412
117	L	A	0.0000
118	H	A	-2.1139
119	K	A	-2.8439
120	L	A	-2.3235
121	A	A	0.0000
122	T	A	-2.4705
123	D	A	-2.9323
124	K	A	-3.0198
125	N	A	-2.7393
126	D	A	0.0000
127	P	A	-1.6129
128	H	A	-1.7717
129	L	A	0.0000
130	C	A	-2.0881
131	D	A	-2.9772
132	F	A	-1.9521
133	I	A	0.0000
134	E	A	-3.0012
135	D	A	-3.2393
136	H	A	-2.1716
137	Y	A	0.0000
138	L	A	-1.1971
139	N	A	-1.5164
140	E	A	-1.4655
141	Q	A	0.0000
142	V	A	-0.1107
143	K	A	-1.9720
144	A	A	-1.4165
145	I	A	-1.3739
146	K	A	-2.4232
147	E	A	-2.3289
148	L	A	0.0000
149	G	A	-1.7786
150	D	A	-1.9153
151	H	A	-1.6332
152	V	A	-1.5648
153	T	A	-1.4946
154	N	A	-1.5099
155	L	A	0.0000
156	R	A	-2.4918
157	K	A	-2.3316
158	M	A	-1.0302
159	G	A	-1.3850
160	A	A	0.0000
161	P	A	-1.6258
162	E	A	-2.0328
163	S	A	-0.7486
164	G	A	0.0118
165	L	A	1.5398
166	A	A	0.0000
167	E	A	0.2972
168	Y	A	1.0756
169	L	A	0.6287
170	F	A	0.0000
171	D	A	0.0000
172	K	A	-1.7209
173	H	A	-1.4514
174	T	A	-0.9131
175	L	A	-0.9980
176	G	A	-1.5167