Project name: RBTME1

Chain sequence(s)	A: MALMQKLMTVEEKKFLAESVFSVEEKKFLLDAVATLEEKKFLMDFVASLEEKKFLMEKLSTIEEKKFLVDTIYSIEEKKKLMEIIILLEEKKLLYDKMFRVEEKKMLYDLLVELEEKKSLFEKLVYVEEKKYLFEPVVFVEEKKYLLDVLTLLEEKKYLLEFVVTIEEKKYLMGFIASLEEKKYLYTQMVSVHHHHHH
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:06:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:43)

• Minimal score value: -3.5221
• Maximal score value: 2.2813
• Average score: -0.7139
• Total score value: -141.3617

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	M	A	0.0000
2	A	A	0.0000
3	L	A	-0.3193
4	M	A	0.0000
5	Q	A	0.0000
6	K	A	-0.7665
7	L	A	0.0193
8	M	A	0.0000
9	T	A	0.0999
10	V	A	0.6623
11	E	A	-1.1434
12	E	A	-0.5605
13	K	A	0.0000
14	K	A	-1.4704
15	F	A	0.3237
16	L	A	0.0000
17	A	A	0.0000
18	E	A	-1.1644
19	S	A	-0.2301
20	V	A	1.0414
21	F	A	0.0000
22	S	A	-0.2781
23	V	A	0.0549
24	E	A	-1.7359
25	E	A	-1.3914
26	K	A	-1.7719
27	K	A	-2.2197
28	F	A	-1.2767
29	L	A	0.0000
30	L	A	-1.3030
31	D	A	-1.5600
32	A	A	0.0000
33	V	A	0.0000
34	A	A	-0.1579
35	T	A	-0.3891
36	L	A	0.6707
37	E	A	-0.7735
38	E	A	-0.2545
39	K	A	0.0000
40	K	A	0.0840
41	F	A	1.4392
42	L	A	0.8117
43	M	A	-0.0372
44	D	A	-0.4493
45	F	A	0.0000
46	V	A	1.1545
47	A	A	-0.5069
48	S	A	-1.0206
49	L	A	-1.3520
50	E	A	-2.6709
51	E	A	-2.4186
52	K	A	-1.9611
53	K	A	-1.8137
54	F	A	-0.9319
55	L	A	-1.1364
56	M	A	-1.1626
57	E	A	-2.3501
58	K	A	-2.1952
59	L	A	-1.1810
60	S	A	-1.2153
61	T	A	-0.5884
62	I	A	0.8398
63	E	A	-1.0694
64	E	A	-0.8091
65	K	A	-0.9594
66	K	A	-0.7336
67	F	A	0.8892
68	L	A	0.2865
69	V	A	0.0000
70	D	A	-0.2869
71	T	A	0.1738
72	I	A	0.0000
73	Y	A	0.0000
74	S	A	-0.3475
75	I	A	-0.0031
76	E	A	-2.1203
77	E	A	-2.1508
78	K	A	-2.3190
79	K	A	-3.2019
80	K	A	-3.3432
81	L	A	0.0000
82	M	A	-0.9663
83	E	A	-1.5254
84	I	A	0.0151
85	I	A	0.3735
86	I	A	1.3932
87	L	A	0.8087
88	L	A	0.0000
89	E	A	-0.4623
90	E	A	-1.1677
91	K	A	-1.6643
92	K	A	-1.2770
93	L	A	-0.5913
94	L	A	-0.4744
95	Y	A	0.0000
96	D	A	-1.9613
97	K	A	-1.4952
98	M	A	0.4074
99	F	A	0.3325
100	R	A	-1.9323
101	V	A	-1.3033
102	E	A	-2.6619
103	E	A	-2.3433
104	K	A	-2.4596
105	K	A	-2.7155
106	M	A	-1.2847
107	L	A	0.0000
108	Y	A	-1.3527
109	D	A	-1.7159
110	L	A	0.2022
111	L	A	0.0000
112	V	A	0.0000
113	E	A	-1.3893
114	L	A	-0.4486
115	E	A	0.0000
116	E	A	-1.0524
117	K	A	-1.8500
118	K	A	-1.2902
119	S	A	0.0000
120	L	A	0.0041
121	F	A	0.0302
122	E	A	-0.4538
123	K	A	-0.2922
124	L	A	0.0000
125	V	A	0.0000
126	Y	A	-0.6684
127	V	A	-1.4235
128	E	A	-1.9915
129	E	A	-3.0633
130	K	A	-3.2355
131	K	A	-2.4349
132	Y	A	-0.7740
133	L	A	0.0000
134	F	A	0.4279
135	E	A	-0.7728
136	P	A	0.5418
137	V	A	2.0467
138	V	A	0.0000
139	F	A	2.2813
140	V	A	0.0000
141	E	A	-1.7655
142	E	A	-3.0180
143	K	A	-3.2757
144	K	A	-2.0216
145	Y	A	0.0024
146	L	A	0.2978
147	L	A	0.6853
148	D	A	-1.0134
149	V	A	0.0000
150	L	A	0.0000
151	T	A	-1.3033
152	L	A	-1.5101
153	L	A	0.0000
154	E	A	-3.2385
155	E	A	-3.5221
156	K	A	-3.3154
157	K	A	-2.9890
158	Y	A	-1.1342
159	L	A	0.0000
160	L	A	0.0000
161	E	A	0.0307
162	F	A	1.1172
163	V	A	1.5488
164	V	A	0.9006
165	T	A	-0.2331
166	I	A	0.3432
167	E	A	-2.3780
168	E	A	-3.1281
169	K	A	-3.3327
170	K	A	-2.3329
171	Y	A	-0.5118
172	L	A	0.7969
173	M	A	1.7136
174	G	A	0.0000
175	F	A	0.0000
176	I	A	0.4455
177	A	A	0.0000
178	S	A	-0.4933
179	L	A	-0.7936
180	E	A	-1.8071
181	E	A	0.0000
182	K	A	0.0000
183	K	A	-1.3049
184	Y	A	0.0000
185	L	A	0.0000
186	Y	A	0.4470
187	T	A	0.3546
188	Q	A	0.0000
189	M	A	0.0000
190	V	A	-0.0005
191	S	A	-0.2035
192	V	A	-0.4616
193	H	A	-1.3192
194	H	A	-2.1253
195	H	A	-2.4288
196	H	A	-2.6986
197	H	A	-2.3389
198	H	A	-1.8656