Project name: mScarlet3

Chain sequence(s)	A: AVIKEFMRFKVHMEGSSMNGHEFEIIEGEGEGRPYEGTQTAKLRVTKGGPLPFSWDILSPQFAAASRAFTKHPADIPDYWKQSFPPEGFKWERVVMNFEEDGGAVSVAQDTSSLEDGTLIYKVKLRGTNFPPDGPVMQKKTMGWEASTERLYPEDVVLKGDIKMALRLKDGGRYLADFKTTYRAKKPVQMPGAFNIDRKLLDIITSSHNEDYTVVEQYYEERSVARHS
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                                          (00:05:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:48)

• Minimal score value: -3.3156
• Maximal score value: 0.2367
• Average score: -1.0457
• Total score value: -223.7847

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
7	A	A	-0.1786
8	V	A	0.2367
9	I	A	0.0000
10	K	A	-2.3150
11	E	A	-2.5666
12	F	A	-1.6387
13	M	A	0.0000
14	R	A	-3.0309
15	F	A	0.0000
16	K	A	-2.9701
17	V	A	0.0000
18	H	A	-2.1841
19	M	A	0.0000
20	E	A	-3.2035
21	G	A	0.0000
22	S	A	0.0000
23	M	A	0.0000
24	N	A	-1.8821
25	G	A	-1.8358
26	H	A	-1.9091
27	E	A	-3.1485
28	F	A	0.0000
29	E	A	-2.6649
30	I	A	0.0000
31	E	A	-2.3873
32	G	A	0.0000
33	E	A	-2.7385
34	G	A	0.0000
35	E	A	-2.4012
36	G	A	0.0000
37	R	A	-2.8732
38	P	A	0.0000
39	Y	A	-1.4587
40	E	A	-2.5157
41	G	A	0.0000
42	T	A	-1.4490
43	Q	A	0.0000
44	T	A	-1.1807
45	A	A	0.0000
46	K	A	-1.6808
47	L	A	0.0000
48	R	A	-1.2021
49	V	A	-0.9346
50	T	A	-1.5565
51	K	A	-2.7841
52	G	A	-1.9512
53	G	A	-1.5998
54	P	A	-1.0792
55	L	A	0.0000
56	P	A	-0.8698
57	F	A	0.0000
58	S	A	0.0000
59	W	A	0.0000
60	D	A	0.0000
61	I	A	0.0000
62	L	A	0.0000
63	S	A	0.0000
64	P	A	-0.0328
65	Q	A	0.0000
66	F	A	0.0000
70	S	A	-0.0216
71	R	A	0.0000
72	A	A	0.0000
73	F	A	0.0000
74	T	A	0.0000
75	K	A	-1.5684
76	H	A	-1.1211
77	P	A	-1.0633
78	A	A	-1.0152
79	D	A	-2.1141
80	I	A	0.0000
81	P	A	-1.0048
82	D	A	-0.8543
83	Y	A	0.0000
84	W	A	0.0000
85	K	A	-0.3320
86	Q	A	-0.6772
87	S	A	0.0000
88	F	A	0.0000
89	P	A	-0.9322
90	E	A	-1.7224
91	G	A	0.0000
92	F	A	0.0000
93	K	A	-2.0473
94	W	A	0.0000
95	E	A	-1.6273
96	R	A	0.0000
97	V	A	-0.7859
98	M	A	0.0000
99	N	A	-1.8705
100	F	A	0.0000
101	E	A	-2.6008
102	D	A	-2.1183
103	G	A	-1.7487
104	G	A	0.0000
105	A	A	-1.4394
106	V	A	0.0000
107	S	A	-1.2392
108	V	A	0.0000
109	A	A	-1.5321
110	Q	A	0.0000
111	D	A	-1.7662
112	T	A	0.0000
113	S	A	-1.0406
114	L	A	-1.1050
115	E	A	-2.5324
116	D	A	-2.6692
117	G	A	-2.0863
118	T	A	-2.2747
119	L	A	0.0000
120	I	A	-1.5275
121	Y	A	0.0000
122	K	A	-2.4276
123	V	A	0.0000
124	K	A	-2.9802
125	L	A	0.0000
126	R	A	-2.8046
127	G	A	0.0000
128	T	A	-1.5495
129	N	A	-1.7468
130	F	A	0.0000
131	P	A	-1.5459
132	P	A	-1.6426
133	D	A	-2.4585
134	G	A	-1.7453
135	P	A	-2.0088
136	V	A	0.0000
137	M	A	-1.5565
138	Q	A	-2.4590
139	K	A	-2.2347
140	K	A	-2.6869
141	T	A	0.0000
142	M	A	-1.0992
143	G	A	-0.7122
144	W	A	0.0000
145	E	A	-1.3668
146	A	A	-0.9027
147	S	A	-1.1238
148	T	A	-1.3418
149	E	A	0.0000
150	R	A	-2.6516
151	L	A	0.0000
152	Y	A	-0.9708
153	P	A	-0.8742
154	E	A	-1.9518
155	D	A	-1.5729
156	V	A	0.1387
157	V	A	-0.5664
158	L	A	0.0000
159	K	A	-1.6987
160	G	A	0.0000
161	D	A	-2.2986
162	I	A	0.0000
163	K	A	-2.7018
164	M	A	0.0000
165	A	A	0.0000
166	L	A	0.0000
167	R	A	-2.6343
168	L	A	-2.7593
169	K	A	-3.3156
170	D	A	-3.2565
171	G	A	-2.6240
172	G	A	-2.4784
173	R	A	-2.8708
174	Y	A	0.0000
175	L	A	-1.7766
176	A	A	0.0000
177	D	A	-2.8532
178	F	A	0.0000
179	K	A	-2.6262
180	T	A	0.0000
181	T	A	0.0000
182	Y	A	0.0000
183	R	A	-1.4059
184	A	A	-1.1136
185	K	A	-1.5978
186	K	A	-1.1394
187	P	A	-0.4887
188	V	A	-0.4158
189	Q	A	-0.9162
190	M	A	-0.4794
191	P	A	0.0000
192	G	A	-0.9540
193	A	A	-0.9590
194	F	A	0.0000
195	N	A	-1.5816
196	I	A	0.0000
197	D	A	-1.4080
198	R	A	-1.2484
199	K	A	-1.5089
200	L	A	-0.9771
201	D	A	-1.2633
202	I	A	-0.4927
203	T	A	-0.6360
204	S	A	-0.9937
205	H	A	-1.5672
206	N	A	-1.7348
207	E	A	-2.4974
208	D	A	-1.9295
209	Y	A	-1.0528
210	T	A	-0.8016
211	V	A	-0.5421
212	V	A	0.0000
213	E	A	-1.3194
214	Q	A	0.0000
215	Y	A	-0.5157
216	E	A	-0.9466
217	R	A	-2.1254
218	S	A	0.0000
219	V	A	-0.9737
220	A	A	0.0000
221	R	A	-1.7689
222	H	A	-1.9981
223	S	A	-1.2712