Project name: RP5 rearranged 6-subset

Chain sequence(s)	A: MDAMKRGLCCVLLLCGAVFVSPSQEIHARHTDLAIEYEVGVARALPQGSQGRCAPHTFKKQPLHQYARRPLFPLRAPLCICFRVADSSFLCHKAFFCGRSDYFRIEDRLHCVFQMNLVLFIDPLTRWGNPKVNSILNLFGSGLFDAAFVHCKLHNNGGMSAEEEIGPGAEPMRGPSLATYPYDVPDYA
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                                          (00:01:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:51)

• Minimal score value: -3.0481
• Maximal score value: 4.1216
• Average score: 0.0295
• Total score value: 5.5448

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	-0.0631
2	D	A	-1.9856
3	A	A	-1.1331
4	M	A	-0.4420
5	K	A	-2.0623
6	R	A	-1.9981
7	G	A	-0.4685
8	L	A	1.1059
9	C	A	1.6798
10	C	A	2.3469
11	V	A	3.4389
12	L	A	3.7399
13	L	A	4.1216
14	L	A	3.4148
15	C	A	2.5856
16	G	A	1.7953
17	A	A	2.5674
18	V	A	3.4742
19	F	A	3.8219
20	V	A	2.9843
21	S	A	1.0796
22	P	A	-0.3449
23	S	A	-0.9935
24	Q	A	-1.8607
25	E	A	-1.7738
26	I	A	0.0647
27	H	A	-1.2037
28	A	A	-1.2478
29	R	A	-2.5094
30	H	A	-2.2223
31	T	A	-1.4335
32	D	A	-1.2355
33	L	A	0.8724
34	A	A	1.0012
35	I	A	1.5177
36	E	A	-0.2354
37	Y	A	0.7089
38	E	A	-0.5827
39	V	A	1.3646
40	G	A	1.0076
41	V	A	1.9890
42	A	A	0.7596
43	R	A	-0.8121
44	A	A	0.2402
45	L	A	0.4467
46	P	A	-0.5127
47	Q	A	-1.3791
48	G	A	-1.3304
49	S	A	-1.5174
50	Q	A	-1.9766
51	G	A	-1.6531
52	R	A	-2.0453
53	C	A	-0.6391
54	A	A	-0.6222
55	P	A	-0.4820
56	H	A	-0.7197
57	T	A	-0.3263
58	F	A	0.1195
59	K	A	-2.0954
60	K	A	-2.5350
61	Q	A	-2.2135
62	P	A	-1.0170
63	L	A	0.6269
64	H	A	-0.7086
65	Q	A	-1.0903
66	Y	A	-0.2360
67	A	A	-0.8989
68	R	A	-2.4942
69	R	A	-2.2115
70	P	A	-0.7348
71	L	A	0.8643
72	F	A	1.3583
73	P	A	0.6873
74	L	A	1.0946
75	R	A	-0.9273
76	A	A	-0.4417
77	P	A	-0.4462
78	L	A	0.3241
79	C	A	0.0000
80	I	A	1.4462
81	C	A	1.7415
82	F	A	1.5137
83	R	A	-0.4593
84	V	A	0.8013
85	A	A	-0.4177
86	D	A	-1.7861
87	S	A	-0.5224
88	S	A	0.5421
89	F	A	2.3877
90	L	A	2.1320
91	C	A	1.1718
92	H	A	-0.5381
93	K	A	0.2553
94	A	A	1.5852
95	F	A	3.1424
96	F	A	3.0154
97	C	A	1.4538
98	G	A	-0.5590
99	R	A	-2.3539
100	S	A	-1.4335
101	D	A	-1.5318
102	Y	A	0.8522
103	F	A	1.9272
104	R	A	-0.3274
105	I	A	0.5424
106	E	A	-2.3282
107	D	A	-2.8694
108	R	A	-2.2680
109	L	A	0.1053
110	H	A	-0.0966
111	C	A	1.6054
112	V	A	2.7551
113	F	A	2.3714
114	Q	A	-0.0930
115	M	A	0.2253
116	N	A	-0.6729
117	L	A	1.1584
118	V	A	2.6373
119	L	A	2.9754
120	F	A	3.0868
121	I	A	2.3315
122	D	A	-0.1863
123	P	A	-0.0812
124	L	A	0.7296
125	T	A	-0.3761
126	R	A	-1.3107
127	W	A	-0.0463
128	G	A	-1.2265
129	N	A	-1.8378
130	P	A	-1.1771
131	K	A	-1.8686
132	V	A	-0.0605
133	N	A	-1.0325
134	S	A	-0.5358
135	I	A	0.8583
136	L	A	0.4365
137	N	A	-0.2161
138	L	A	1.4550
139	F	A	1.4809
140	G	A	0.8877
141	S	A	0.5310
142	G	A	0.7385
143	L	A	1.8077
144	F	A	2.1613
145	D	A	0.1961
146	A	A	0.5863
147	A	A	1.3364
148	F	A	2.0547
149	V	A	1.1038
150	H	A	-0.1470
151	C	A	-0.1623
152	K	A	-0.7899
153	L	A	-0.2009
154	H	A	-1.5249
155	N	A	-2.3003
156	N	A	-2.1418
157	G	A	-1.3876
158	G	A	-1.0084
159	M	A	-0.2887
160	S	A	-0.8870
161	A	A	-1.5952
162	E	A	-2.8116
163	E	A	-3.0481
164	E	A	-2.3694
165	I	A	0.0062
166	G	A	-0.4098
167	P	A	-0.5651
168	G	A	-0.8197
169	A	A	-0.8129
170	E	A	-2.0519
171	P	A	-1.2396
172	M	A	-0.5932
173	R	A	-1.9587
174	G	A	-1.0273
175	P	A	-0.4609
176	S	A	-0.0042
177	L	A	1.5119
178	A	A	1.0133
179	T	A	1.0967
180	Y	A	1.5001
181	P	A	0.7407
182	Y	A	1.1282
183	D	A	-0.4774
184	V	A	0.8133
185	P	A	-0.2221
186	D	A	-1.0204
187	Y	A	0.6197
188	A	A	0.1865