Project name: Npl3 RRM 2.2

Chain sequence(s)	A: KLPAKRYRITMKNLPEGCSWQDLKDLARENSLETTFSSVNTRDFDGTGALEFPSEEILVEALERLNNIEFRGSVITVERDDNPPPIR
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                                          (00:01:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:39)

• Minimal score value: -4.1846
• Maximal score value: 0.9021
• Average score: -1.4141
• Total score value: -123.0303

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
80	K	A	-0.9972
81	L	A	0.4046
82	P	A	-0.6499
83	A	A	-2.0917
84	K	A	-2.9807
85	R	A	-3.5705
86	Y	A	-2.2028
87	R	A	-2.1764
88	I	A	0.0000
89	T	A	-1.6816
90	M	A	0.0000
91	K	A	-1.9611
92	N	A	-1.5426
93	L	A	-1.1646
94	P	A	-1.3062
95	E	A	-1.3964
96	G	A	-0.8579
97	C	A	0.0000
98	S	A	-0.8326
99	W	A	-0.0448
100	Q	A	-1.5222
101	D	A	-2.1523
102	L	A	0.0000
103	K	A	-2.5408
104	D	A	-3.4042
105	L	A	-2.4504
106	A	A	0.0000
107	R	A	-4.1846
108	E	A	-3.5461
109	N	A	-2.5513
110	S	A	-2.0988
111	L	A	0.0000
112	E	A	-3.0241
113	T	A	0.0000
114	T	A	-0.1958
115	F	A	0.6272
116	S	A	0.4284
117	S	A	0.1598
118	V	A	-0.4008
119	N	A	-2.0295
120	T	A	-1.9540
121	R	A	-2.5844
122	D	A	-1.9808
123	F	A	-0.4205
124	D	A	-2.1936
125	G	A	-1.8323
126	T	A	-1.4082
127	G	A	0.0000
128	A	A	-0.6661
129	L	A	0.0000
130	E	A	-1.1576
131	F	A	0.0000
132	P	A	-1.1928
133	S	A	-1.8059
134	E	A	-3.0387
135	E	A	-2.7185
136	I	A	-2.4450
137	L	A	0.0000
138	V	A	-2.3060
139	E	A	-3.4115
140	A	A	0.0000
141	L	A	0.0000
142	E	A	-3.6979
143	R	A	-3.5056
144	L	A	0.0000
145	N	A	-2.9210
146	N	A	-2.1325
147	I	A	-1.0283
148	E	A	-1.1960
149	F	A	-0.1072
150	R	A	-1.5556
151	G	A	-0.9825
152	S	A	-0.7395
153	V	A	-0.3434
154	I	A	0.0000
155	T	A	-1.9178
156	V	A	0.0000
157	E	A	-3.1170
158	R	A	-3.6508
159	D	A	-3.2548
160	D	A	-2.8523
161	N	A	-2.5600
162	P	A	-1.4858
163	P	A	-0.6659
164	P	A	-0.1834
165	I	A	0.9021
166	R	A	-0.9813