Project name: t3g1

Chain sequence(s)	A: AGPAQPSPVDSFDARKPETWSPLQRHAEFFDRNQDGRITVGETYDGLRALGVGPLRAAAFSTLINAGLGVSTGAPWYNPLEIQVNRISAGKHGSDTGVYDADGRLDPAKFDAIFQKHDTDKDSCLNQAEVSAMIAANRTDRAGNVAAKGEFGLLMTLAGSDREHDGKTERVITRETMERLYDGSLFYRLAGEPCPFQP
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                                          (00:02:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:25)

• Minimal score value: -3.6959
• Maximal score value: 1.9152
• Average score: -0.8179
• Total score value: -161.9383

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	A	A	-0.2190
2	G	A	-0.6962
3	P	A	-0.7703
4	A	A	-0.8299
5	Q	A	-1.4370
6	P	A	-1.1096
7	S	A	-1.0289
8	P	A	0.0000
9	V	A	-0.6752
10	D	A	-1.6873
11	S	A	-1.2150
12	F	A	-1.3656
13	D	A	-2.2677
14	A	A	0.0000
15	R	A	-3.4724
16	K	A	-3.0764
17	P	A	-2.3727
18	E	A	-2.7753
19	T	A	-1.8535
20	W	A	0.0000
21	S	A	0.0000
22	P	A	-0.4317
23	L	A	0.0000
24	Q	A	0.0000
25	R	A	-0.5961
26	H	A	-0.3738
27	A	A	0.0000
28	E	A	0.0000
29	F	A	0.0000
30	F	A	-0.5722
31	D	A	0.0000
32	R	A	-1.8893
33	N	A	-2.5500
34	Q	A	-2.8123
35	D	A	-3.0939
36	G	A	0.0000
37	R	A	-1.8226
38	I	A	0.0000
39	T	A	-0.3542
40	V	A	0.5062
41	G	A	-0.5748
42	E	A	-1.1255
43	T	A	0.0000
44	Y	A	-0.4473
45	D	A	-1.5819
46	G	A	0.0000
47	L	A	0.0000
48	R	A	-1.5400
49	A	A	-0.8982
50	L	A	0.0000
51	G	A	-0.8891
52	V	A	0.0000
53	G	A	-0.5006
54	P	A	-0.1706
55	L	A	0.8878
56	R	A	-0.3898
57	A	A	0.0000
58	A	A	0.2871
59	A	A	0.7329
60	F	A	0.9729
61	S	A	0.0000
62	T	A	1.0130
63	L	A	1.9152
64	I	A	1.2161
65	N	A	0.0000
66	A	A	1.1253
67	G	A	0.5852
68	L	A	0.6962
69	G	A	0.0000
70	V	A	1.7680
71	S	A	0.4042
72	T	A	0.0000
73	G	A	0.3344
74	A	A	0.7291
75	P	A	1.0514
76	W	A	1.8706
77	Y	A	1.6203
78	N	A	0.7103
79	P	A	0.9965
80	L	A	1.2184
81	E	A	0.0000
82	I	A	0.0000
83	Q	A	0.0000
84	V	A	0.0000
85	N	A	-1.0467
86	R	A	-1.2492
87	I	A	0.0000
88	S	A	-0.8755
89	A	A	-0.4075
90	G	A	-0.4327
91	K	A	-1.0260
92	H	A	-1.0247
93	G	A	-1.7000
94	S	A	0.0000
95	D	A	-1.0977
96	T	A	0.0000
97	G	A	-0.9027
98	V	A	0.0000
99	Y	A	0.0000
100	D	A	-1.5106
101	A	A	-0.9075
102	D	A	-1.1701
103	G	A	0.0000
104	R	A	-0.8915
105	L	A	-0.7942
106	D	A	-1.3991
107	P	A	-1.2584
108	A	A	-1.0298
109	K	A	-1.6202
110	F	A	0.0000
111	D	A	-2.3549
112	A	A	-1.8038
113	I	A	0.0000
114	F	A	0.0000
115	Q	A	-2.7291
116	K	A	-2.6782
117	H	A	-1.7724
118	D	A	0.0000
119	T	A	-2.3238
120	D	A	-3.0910
121	K	A	-3.6289
122	D	A	-2.8269
123	S	A	-2.0828
124	C	A	-1.7362
125	L	A	0.0000
126	N	A	-1.6222
127	Q	A	-1.4836
128	A	A	-0.7068
129	E	A	0.0000
130	V	A	0.0000
131	S	A	-0.7711
132	A	A	-0.5993
133	M	A	0.0000
134	I	A	0.0000
135	A	A	-0.8940
136	A	A	-0.8365
137	N	A	-1.4453
138	R	A	-2.5138
139	T	A	-2.0715
140	D	A	-2.3226
141	R	A	-2.2240
142	A	A	-1.0770
143	G	A	0.0000
144	N	A	0.0000
145	V	A	0.1100
146	A	A	-0.3860
147	A	A	0.0000
148	K	A	-1.7412
149	G	A	-1.2881
150	E	A	-2.0140
151	F	A	0.0000
152	G	A	-1.4382
153	L	A	-0.7669
154	L	A	0.0000
155	M	A	0.0000
156	T	A	-0.1631
157	L	A	0.2281
158	A	A	-0.0567
159	G	A	-0.9118
160	S	A	-1.4120
161	D	A	-3.0248
162	R	A	-2.9532
163	E	A	-3.6959
164	H	A	-3.0472
165	D	A	-3.1348
166	G	A	-2.7822
167	K	A	-3.4391
168	T	A	-2.8950
169	E	A	-2.7654
170	R	A	-2.3367
171	V	A	0.0000
172	I	A	0.0000
173	T	A	-1.4834
174	R	A	-2.2008
175	E	A	-2.7905
176	T	A	-1.7632
177	M	A	0.0000
178	E	A	-2.8514
179	R	A	-2.2426
180	L	A	-1.0875
181	Y	A	0.0000
182	D	A	-1.0831
183	G	A	0.0000
184	S	A	0.0000
185	L	A	0.0000
186	F	A	-0.3978
187	Y	A	0.0000
188	R	A	-1.8856
189	L	A	-0.5031
190	A	A	-0.8449
191	G	A	-1.2119
192	E	A	-1.2775
193	P	A	-0.9302
194	C	A	-0.8205
195	P	A	-1.1260
196	F	A	0.0000
197	Q	A	-1.5748
198	P	A	-1.1847