Project name: RP5-TPA-NL

Chain sequence(s)	A: MDAMKRGLCCVLLLCGAVFVSPSQEIHARDWLLLARGEPLIPKHNQSLPACSFYIEDRLHCVFQMNLVLFIDPLTRWGNPKVNSILNLFGSGLFDAAFVHCKLHICFRVADSSFLCHKAFFCGRSDYFRLLNRYLIISLTNTVPGPDVVKKCSQHTDLAIEYEVGVARALPQGSQGRCAQKCKLCARENSIEILSSTIKAYNAENNGGMSAEEEIGPGAEPMRGPSLATQLYPYDVPDYA
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                                          (00:02:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:47)

• Minimal score value: -3.1439
• Maximal score value: 4.4646
• Average score: -0.0447
• Total score value: -10.7239

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	0.1733
2	D	A	-1.8712
3	A	A	-1.0078
4	M	A	-0.3162
5	K	A	-1.8225
6	R	A	-1.8565
7	G	A	-0.0165
8	L	A	2.0473
9	C	A	2.4645
10	C	A	2.9256
11	V	A	4.0331
12	L	A	4.3823
13	L	A	4.4646
14	L	A	4.4443
15	C	A	3.7158
16	G	A	3.1380
17	A	A	3.3511
18	V	A	3.8364
19	F	A	3.7615
20	V	A	2.9225
21	S	A	1.1338
22	P	A	-0.2170
23	S	A	-0.9238
24	Q	A	-1.8535
25	E	A	-1.7683
26	I	A	-0.2334
27	H	A	-1.4986
28	A	A	-1.2829
29	R	A	-2.1160
30	D	A	-1.3323
31	W	A	1.1454
32	L	A	2.4953
33	L	A	2.9071
34	L	A	2.3055
35	A	A	0.2610
36	R	A	-1.9641
37	G	A	-1.6760
38	E	A	-2.0171
39	P	A	-0.1413
40	L	A	1.5658
41	I	A	1.5650
42	P	A	-0.3424
43	K	A	-2.1719
44	H	A	-2.5086
45	N	A	-2.3337
46	Q	A	-2.1700
47	S	A	-0.5837
48	L	A	0.9006
49	P	A	0.4571
50	A	A	0.6645
51	C	A	1.4531
52	S	A	0.7007
53	F	A	1.5642
54	Y	A	1.8000
55	I	A	0.8351
56	E	A	-1.1037
57	D	A	-1.5275
58	R	A	-1.9208
59	L	A	0.0059
60	H	A	-0.3022
61	C	A	1.0692
62	V	A	2.0200
63	F	A	1.6166
64	Q	A	0.2232
65	M	A	0.5082
66	N	A	-0.3671
67	L	A	1.2777
68	V	A	2.8390
69	L	A	2.7596
70	F	A	3.2537
71	I	A	3.0397
72	D	A	0.8368
73	P	A	0.3200
74	L	A	-0.0669
75	T	A	-0.6292
76	R	A	-1.2697
77	W	A	-0.1329
78	G	A	-1.0558
79	N	A	-1.4910
80	P	A	-1.3124
81	K	A	-1.6794
82	V	A	0.3875
83	N	A	-0.7345
84	S	A	-0.0106
85	I	A	1.4548
86	L	A	1.9221
87	N	A	0.5438
88	L	A	2.2659
89	F	A	2.8519
90	G	A	1.0569
91	S	A	0.6916
92	G	A	0.5725
93	L	A	2.0230
94	F	A	1.8258
95	D	A	-0.7215
96	A	A	0.1351
97	A	A	0.3069
98	F	A	1.5027
99	V	A	0.8236
100	H	A	-0.5292
101	C	A	-0.9203
102	K	A	-2.0376
103	L	A	-0.9493
104	H	A	-0.8611
105	I	A	0.0000
106	C	A	1.2457
107	F	A	0.6155
108	R	A	-1.0795
109	V	A	-0.1529
110	A	A	-0.9190
111	D	A	-2.0468
112	S	A	-0.9820
113	S	A	0.0409
114	F	A	1.9342
115	L	A	1.9814
116	C	A	0.0000
117	H	A	-0.7787
118	K	A	-0.7223
119	A	A	0.0000
120	F	A	1.6235
121	F	A	1.0815
122	C	A	0.7430
123	G	A	-1.1564
124	R	A	-2.2898
125	S	A	-1.6745
126	D	A	-2.0727
127	Y	A	-0.6132
128	F	A	-0.7921
129	R	A	-1.7189
130	L	A	-0.3082
131	L	A	0.3220
132	N	A	-0.1652
133	R	A	-0.4975
134	Y	A	1.3809
135	L	A	1.1108
136	I	A	1.1361
137	I	A	1.5027
138	S	A	0.9179
139	L	A	1.1822
140	T	A	0.6729
141	N	A	-0.2086
142	T	A	0.3910
143	V	A	1.2456
144	P	A	0.4694
145	G	A	-0.1145
146	P	A	-0.3112
147	D	A	-1.0124
148	V	A	0.8569
149	V	A	0.7825
150	K	A	-1.3507
151	K	A	-1.6057
152	C	A	-0.6781
153	S	A	-1.1924
154	Q	A	-1.8239
155	H	A	-1.8257
156	T	A	-1.3556
157	D	A	-1.0658
158	L	A	0.8954
159	A	A	0.9659
160	I	A	1.4720
161	E	A	-0.2621
162	Y	A	0.4754
163	E	A	-0.4566
164	V	A	1.2430
165	G	A	0.6074
166	V	A	1.3224
167	A	A	0.3171
168	R	A	-1.0349
169	A	A	-0.0808
170	L	A	0.6837
171	P	A	-0.4009
172	Q	A	-1.3965
173	G	A	-1.3707
174	S	A	-1.6521
175	Q	A	-2.1602
176	G	A	-1.8404
177	R	A	-2.1978
178	C	A	-1.0168
179	A	A	-1.2199
180	Q	A	-2.0560
181	K	A	-2.4064
182	C	A	-0.7735
183	K	A	-1.2282
184	L	A	0.8184
185	C	A	0.0261
186	A	A	-1.1038
187	R	A	-2.5212
188	E	A	-2.8858
189	N	A	-1.8462
190	S	A	-0.5478
191	I	A	0.6402
192	E	A	-0.9387
193	I	A	-0.1597
194	L	A	0.4909
195	S	A	0.0089
196	S	A	-0.2859
197	T	A	0.0585
198	I	A	0.1389
199	K	A	-1.5276
200	A	A	-1.0648
201	Y	A	-0.9183
202	N	A	-2.1841
203	A	A	-2.2020
204	E	A	-3.0721
205	N	A	-2.4309
206	N	A	-2.4368
207	G	A	-1.9291
208	G	A	-1.1202
209	M	A	-0.0965
210	S	A	-0.8002
211	A	A	-1.5835
212	E	A	-2.7733
213	E	A	-3.1439
214	E	A	-2.3818
215	I	A	0.0572
216	G	A	-0.4713
217	P	A	-0.6401
218	G	A	-0.8559
219	A	A	-0.8077
220	E	A	-2.0153
221	P	A	-1.2235
222	M	A	-0.5502
223	R	A	-1.9006
224	G	A	-1.0007
225	P	A	-0.4920
226	S	A	0.0719
227	L	A	1.1196
228	A	A	0.6113
229	T	A	0.3145
230	Q	A	0.1298
231	L	A	1.6717
232	Y	A	1.7418
233	P	A	1.0741
234	Y	A	1.2743
235	D	A	-0.4820
236	V	A	0.8060
237	P	A	-0.2353
238	D	A	-1.0184
239	Y	A	0.6182
240	A	A	0.2000