Project name: TPO_174a.a

Chain sequence(s)	A: SPAPPACDLRVLSKLLRDSHVLHSRLSQCPEVHPLPTPVLLPAVDFSLGEWKTQMEETKAQDILGAVTLLLEGVMAARGQLGPTCLSSLLGQLSGQVRLLLGALQSLLGTQLPPQGRTTAHKDPNAIFLSFQHLLRGKVRFLMLVGGSTLCVRRAPPTTAVPSRTSLVLTLNEL
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                                          (00:01:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:32)

• Minimal score value: -2.8104
• Maximal score value: 3.3975
• Average score: -0.539
• Total score value: -93.7784

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	S	A	-0.3215
2	P	A	-0.4162
3	A	A	-0.0991
4	P	A	-0.3927
5	P	A	-0.5077
6	A	A	0.0000
7	C	A	0.1364
8	D	A	-0.6087
9	L	A	-0.4769
10	R	A	-2.0033
11	V	A	-1.0738
12	L	A	0.0000
13	S	A	-2.1138
14	K	A	-2.8104
15	L	A	0.0000
16	L	A	-2.0027
17	R	A	-2.4836
18	D	A	-1.6116
19	S	A	0.0000
20	H	A	-1.4300
21	V	A	-0.3290
22	L	A	0.0000
23	H	A	-1.0088
24	S	A	-1.0835
25	R	A	-1.7520
26	L	A	0.0000
27	S	A	-1.6005
28	Q	A	-2.0537
29	C	A	0.0000
30	P	A	-1.4047
31	E	A	-2.1078
32	V	A	-1.2654
33	H	A	-1.3914
34	P	A	-1.5930
35	L	A	0.0000
36	P	A	-0.8400
37	T	A	-0.4768
38	P	A	-0.6387
39	V	A	0.0000
40	L	A	0.8456
41	L	A	0.0000
42	P	A	0.0000
43	A	A	-1.0274
44	V	A	-1.0171
45	D	A	-1.5623
46	F	A	-0.7030
47	S	A	-0.8922
48	L	A	-0.3720
49	G	A	-1.5676
50	E	A	-2.4261
51	W	A	0.0000
52	K	A	-2.2363
53	T	A	-1.6762
54	Q	A	-1.7052
55	M	A	-0.9509
56	E	A	-2.5376
57	E	A	-2.7350
58	T	A	-1.7868
59	K	A	-1.9368
60	A	A	0.0000
61	Q	A	-2.2449
62	D	A	-2.3055
63	I	A	0.0000
64	L	A	0.0000
65	G	A	0.0000
66	A	A	0.0000
67	V	A	0.0000
68	T	A	-0.8962
69	L	A	-0.6270
70	L	A	0.0000
71	L	A	0.0000
72	E	A	-1.4248
73	G	A	0.0000
74	V	A	0.0000
75	M	A	-0.6391
76	A	A	-0.5780
77	A	A	0.0000
78	R	A	-1.4651
79	G	A	-1.0058
80	Q	A	-0.9523
81	L	A	-0.7925
82	G	A	-0.7991
83	P	A	-0.5253
84	T	A	-0.4390
85	C	A	-0.3958
86	L	A	0.0000
87	S	A	0.0000
88	S	A	-0.5647
89	L	A	0.0000
90	L	A	0.0000
91	G	A	-0.8254
92	Q	A	-1.0703
93	L	A	0.0000
94	S	A	-1.1411
95	G	A	-1.0500
96	Q	A	-0.9289
97	V	A	0.0000
98	R	A	-1.5078
99	L	A	0.1077
100	L	A	0.0000
101	L	A	-0.5539
102	G	A	-0.6397
103	A	A	-0.2943
104	L	A	0.0000
105	Q	A	-0.8171
106	S	A	-0.5297
107	L	A	0.0000
108	L	A	-0.5141
109	G	A	-0.6711
110	T	A	-0.8335
111	Q	A	-1.2704
112	L	A	-0.8634
113	P	A	-0.8240
114	P	A	-1.5594
115	Q	A	-2.1400
116	G	A	-2.2421
117	R	A	-2.2107
118	T	A	-0.6896
119	T	A	-0.0051
120	A	A	0.1020
121	H	A	-0.8736
122	K	A	-1.8208
123	D	A	-2.0854
124	P	A	0.0000
125	N	A	-0.8975
126	A	A	-0.5828
127	I	A	0.0000
128	F	A	0.0000
129	L	A	0.1647
130	S	A	0.0000
131	F	A	0.0000
132	Q	A	0.0000
133	H	A	-1.2605
134	L	A	0.0000
135	L	A	0.0000
136	R	A	-1.5987
137	G	A	-1.0150
138	K	A	0.0000
139	V	A	0.0000
140	R	A	-0.3675
141	F	A	0.8643
142	L	A	0.0000
143	M	A	1.2584
144	L	A	2.4043
145	V	A	2.1117
146	G	A	0.6348
147	G	A	0.0000
148	S	A	0.7898
149	T	A	0.0400
150	L	A	0.0095
151	C	A	0.2152
152	V	A	0.7090
153	R	A	-1.3011
154	R	A	-0.9744
155	A	A	-0.4598
156	P	A	-0.6821
157	P	A	-0.5798
158	T	A	-0.0004
159	T	A	0.3360
160	A	A	0.7277
161	V	A	1.3308
162	P	A	0.0530
163	S	A	-0.7976
164	R	A	-1.6904
165	T	A	-0.5753
166	S	A	0.7068
167	L	A	2.5759
168	V	A	3.3975
169	L	A	3.0044
170	T	A	1.6776
171	L	A	1.1945
172	N	A	-0.9278
173	E	A	-1.3182
174	L	A	0.4992