Project name: PRL_wt

Chain sequence(s)	A: LPICPGGAARCQVTLRDLFDRAVVLSHYIHNLSSEMFSEFDKRYTHGRGFITKAINSCHTSSLATPEDKEQAQQMNQKDFLSLIVSILRSWNEPLYHLVTEVRGMQEAPEAILSKAVEIEEQTKRLLEGMELIVSQVHPETKENEIYPVWSGLPSLQMADEESRLSAYYNLLHCLRRDSHKIDNYLKLLKCRIIHNNNC
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                                          (00:03:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:24)

• Minimal score value: -4.4026
• Maximal score value: 2.2858
• Average score: -1.0207
• Total score value: -203.1162

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	L	A	1.9192
2	P	A	1.4120
3	I	A	2.2858
4	C	A	0.7994
5	P	A	0.0896
6	G	A	-0.5292
7	G	A	-0.8883
8	A	A	-1.0218
9	A	A	-1.0082
10	R	A	-1.7874
11	C	A	-0.7279
12	Q	A	-0.2809
13	V	A	1.0246
14	T	A	-0.0081
15	L	A	-0.5425
16	R	A	-1.8577
17	D	A	-1.3852
18	L	A	-0.9187
19	F	A	0.0000
20	D	A	-1.9083
21	R	A	-1.9953
22	A	A	0.0000
23	V	A	-0.2213
24	V	A	0.9506
25	L	A	0.2999
26	S	A	0.0000
27	H	A	-0.1886
28	Y	A	0.5902
29	I	A	0.0000
30	H	A	-1.8658
31	N	A	-2.0306
32	L	A	0.0000
33	S	A	0.0000
34	S	A	-2.1883
35	E	A	-2.7464
36	M	A	0.0000
37	F	A	0.0000
38	S	A	-2.3275
39	E	A	-2.5371
40	F	A	0.0000
41	D	A	-2.3817
42	K	A	-3.3196
43	R	A	-3.0786
44	Y	A	-2.2729
45	T	A	0.0000
46	H	A	-2.7391
47	G	A	-1.4922
48	R	A	-1.1614
49	G	A	-0.1994
50	F	A	0.9931
51	I	A	0.0463
52	T	A	-0.2633
53	K	A	-1.1639
54	A	A	-0.7617
55	I	A	-0.6271
56	N	A	-1.7151
57	S	A	-0.9471
58	C	A	0.0000
59	H	A	-0.3852
60	T	A	0.0000
61	S	A	-0.7901
62	S	A	-0.0696
63	L	A	0.3738
64	A	A	-0.4030
65	T	A	-0.9758
66	P	A	0.0000
67	E	A	-3.3276
68	D	A	-4.1660
69	K	A	-4.2508
70	E	A	-4.4026
71	Q	A	-4.0811
72	A	A	-3.7371
73	Q	A	-3.6593
74	Q	A	-3.3416
75	M	A	-2.7664
76	N	A	-2.8492
77	Q	A	-2.7666
78	K	A	-2.1572
79	D	A	-2.1012
80	F	A	0.0000
81	L	A	0.0000
82	S	A	-0.8828
83	L	A	0.0000
84	I	A	0.0000
85	V	A	0.0000
86	S	A	0.0000
87	I	A	0.0000
88	L	A	0.0000
89	R	A	-0.3234
90	S	A	0.3441
91	W	A	0.0000
92	N	A	-1.2936
93	E	A	-0.8691
94	P	A	0.0000
95	L	A	0.0000
96	Y	A	0.5935
97	H	A	-0.0418
98	L	A	0.0000
99	V	A	-0.4279
100	T	A	-0.4664
101	E	A	-1.1051
102	V	A	0.0000
103	R	A	-2.8228
104	G	A	-2.1618
105	M	A	-2.1800
106	Q	A	-2.7576
107	E	A	-3.0323
108	A	A	0.0000
109	P	A	-2.5608
110	E	A	-2.6125
111	A	A	-1.5123
112	I	A	0.0000
113	L	A	-1.3158
114	S	A	-1.1316
115	K	A	-1.7020
116	A	A	0.0000
117	V	A	-0.8507
118	E	A	-1.7024
119	I	A	0.0000
120	E	A	-1.7929
121	E	A	-2.6678
122	Q	A	-1.9166
123	T	A	0.0000
124	K	A	-3.0525
125	R	A	-3.5217
126	L	A	0.0000
127	L	A	0.0000
128	E	A	-2.7824
129	G	A	0.0000
130	M	A	0.0000
131	E	A	-2.1001
132	L	A	-0.6055
133	I	A	0.0000
134	V	A	0.0000
135	S	A	-1.8712
136	Q	A	-1.3145
137	V	A	-0.4166
138	H	A	-1.5548
139	P	A	-2.0360
140	E	A	-2.8867
141	T	A	-2.8641
142	K	A	-3.4900
143	E	A	-3.3870
144	N	A	-2.1375
145	E	A	-0.9233
146	I	A	1.7885
147	Y	A	2.0251
148	P	A	1.6229
149	V	A	1.9822
150	W	A	0.7653
151	S	A	0.1572
152	G	A	-0.0814
153	L	A	-0.2568
154	P	A	-0.3947
155	S	A	-0.5157
156	L	A	-0.5468
157	Q	A	-1.3570
158	M	A	-1.3181
159	A	A	-1.5627
160	D	A	-2.9143
161	E	A	-2.6805
162	E	A	-2.3482
163	S	A	-1.8480
164	R	A	-1.6981
165	L	A	0.0000
166	S	A	-0.4969
167	A	A	0.0000
168	Y	A	0.0000
169	Y	A	0.0000
170	N	A	-0.6498
171	L	A	0.0000
172	L	A	0.0000
173	H	A	-1.3347
174	C	A	0.0000
175	L	A	0.0000
176	R	A	-2.7355
177	R	A	-2.9686
178	D	A	0.0000
179	S	A	0.0000
180	H	A	-2.1686
181	K	A	-1.6877
182	I	A	0.0000
183	D	A	0.0000
184	N	A	-1.0030
185	Y	A	0.0000
186	L	A	0.0000
187	K	A	-1.2672
188	L	A	-0.8491
189	L	A	-0.9202
190	K	A	-1.7927
191	C	A	-2.0017
192	R	A	-2.5043
193	I	A	-1.2924
194	I	A	-1.4576
195	H	A	-2.4309
196	N	A	-2.8347
197	N	A	-2.5447
198	N	A	-1.7336
199	C	A	-0.5908