Project name: CLD_polimerization_test_1

Chain sequence(s)	A: KIERGTILTQPGVFGVFTMFKLRPDWNKVPAAERKGAAEEVKKLIEKHKDNVLVDLYLTRGLETNSDFFFRIHAYDLAKAQTFMREFRSTTIGKHADVTETLVGVTKPLNYITKDKSPGLNAALSSATYSGPAPRYVIVIPVKKNAEWWNMSPEERLKEMEEHTTPTLAYLVNVKRKLYHSTGLDDTDFITYFETNDLTAFNNLMLSLAQTTLGTIHSPEDVIKALAD
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                                          (00:03:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:10)

• Minimal score value: -4.1878
• Maximal score value: 0.819
• Average score: -1.0642
• Total score value: -242.6274

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
8	K	A	-2.9229
9	I	A	-2.3688
10	E	A	-3.1991
11	R	A	-2.3550
12	G	A	-1.6927
13	T	A	-1.2928
14	I	A	0.0000
15	L	A	-0.6058
16	T	A	-0.7450
17	Q	A	-0.9045
18	P	A	-0.9683
19	G	A	-0.8134
20	V	A	0.0000
21	F	A	-0.0229
22	G	A	0.0000
23	V	A	0.0000
24	F	A	0.0000
25	T	A	0.0000
26	M	A	-0.5954
27	F	A	0.0000
28	K	A	-2.1127
29	L	A	-2.0020
30	R	A	-2.5948
31	P	A	-1.9763
32	D	A	-2.5145
33	W	A	0.0000
34	N	A	-2.8781
35	K	A	-2.8286
36	V	A	-2.0337
37	P	A	-1.6256
38	A	A	-1.8194
39	A	A	-1.5479
40	E	A	-2.5872
41	R	A	-2.8454
42	K	A	-3.4417
43	G	A	-2.5975
44	A	A	0.0000
45	A	A	0.0000
46	E	A	-3.1067
47	E	A	-2.6088
48	V	A	0.0000
49	K	A	-3.0553
50	K	A	-3.8336
51	L	A	0.0000
52	I	A	-2.8259
53	E	A	-3.9682
54	K	A	-3.7955
55	H	A	-3.2876
56	K	A	-4.1878
57	D	A	-3.8666
58	N	A	-2.5588
59	V	A	0.0000
60	L	A	-1.3218
61	V	A	0.0000
62	D	A	0.0000
63	L	A	0.0000
64	Y	A	0.0000
65	L	A	-0.5605
66	T	A	0.0000
67	R	A	-2.1945
68	G	A	-1.1564
69	L	A	-0.4333
70	E	A	-1.2390
71	T	A	-1.3109
72	N	A	-1.8807
73	S	A	0.0000
74	D	A	0.0000
75	F	A	0.0000
76	F	A	0.0000
77	F	A	0.0000
78	R	A	0.0000
79	I	A	0.0000
80	H	A	0.0000
81	A	A	0.0000
82	Y	A	0.3321
83	D	A	-1.2066
84	L	A	-0.5127
85	A	A	-0.8758
86	K	A	-1.8164
87	A	A	0.0000
88	Q	A	-1.6368
89	T	A	-1.5789
90	F	A	0.0000
91	M	A	0.0000
92	R	A	-3.0590
93	E	A	-2.3714
94	F	A	0.0000
95	R	A	-3.0445
96	S	A	-2.1506
97	T	A	0.0000
98	T	A	-1.5622
99	I	A	0.0000
100	G	A	0.0000
101	K	A	-2.5775
102	H	A	-2.4269
103	A	A	0.0000
104	D	A	-2.0238
105	V	A	-0.8202
106	T	A	-0.9944
107	E	A	-1.1903
108	T	A	-0.4122
109	L	A	0.0000
110	V	A	0.0129
111	G	A	0.0000
112	V	A	0.0000
113	T	A	0.0000
114	K	A	-1.8096
115	P	A	-0.9315
116	L	A	-0.2129
117	N	A	-1.1650
118	Y	A	-1.7314
119	I	A	0.0000
120	T	A	-1.9431
121	K	A	-2.9649
122	D	A	-3.3582
123	K	A	-3.2536
124	S	A	0.0000
125	P	A	-1.8399
126	G	A	-1.1396
127	L	A	-0.5997
128	N	A	-1.0922
129	A	A	-0.5027
130	A	A	0.0046
131	L	A	0.2616
132	S	A	-0.0732
133	S	A	-0.0148
134	A	A	0.2927
135	T	A	0.2104
136	Y	A	0.1071
137	S	A	-0.2581
138	G	A	-0.6052
139	P	A	-0.9313
140	A	A	-0.6270
141	P	A	-1.3697
142	R	A	-1.8815
143	Y	A	-0.6327
144	V	A	0.0000
145	I	A	0.0000
146	V	A	0.0000
147	I	A	0.3699
148	P	A	-0.1498
149	V	A	-0.6000
150	K	A	-2.1647
151	K	A	-1.8743
152	N	A	-2.3918
153	A	A	-1.6312
154	E	A	-2.4526
155	W	A	0.0000
156	W	A	-0.8850
157	N	A	-1.8432
158	M	A	-1.3828
159	S	A	-1.4618
160	P	A	-2.0642
161	E	A	-3.2282
162	E	A	-3.2517
163	R	A	-2.6866
164	L	A	-3.0741
165	K	A	-4.1672
166	E	A	-3.9505
167	M	A	-2.7074
168	E	A	-2.9011
169	E	A	-3.2697
170	H	A	-2.0195
171	T	A	0.0000
172	T	A	-0.8180
173	P	A	-0.4444
174	T	A	0.0000
175	L	A	0.4432
176	A	A	0.4021
177	Y	A	0.1587
178	L	A	0.2962
179	V	A	0.5643
180	N	A	-0.4676
181	V	A	0.0000
182	K	A	-1.1596
183	R	A	-1.0160
184	K	A	-0.5258
185	L	A	0.2321
186	Y	A	0.0000
187	H	A	-0.1940
188	S	A	0.0000
189	T	A	-0.7927
190	G	A	-0.5833
191	L	A	-0.0134
192	D	A	-1.1318
193	D	A	-2.1686
194	T	A	-1.4901
195	D	A	0.0000
196	F	A	-0.1694
197	I	A	0.0000
198	T	A	0.2699
199	Y	A	0.0000
200	F	A	0.0000
201	E	A	-1.0631
202	T	A	0.0000
203	N	A	-1.3792
204	D	A	-1.2172
205	L	A	-0.7521
206	T	A	-0.8823
207	A	A	-0.6899
208	F	A	0.0000
209	N	A	-1.2113
210	N	A	-0.8331
211	L	A	0.0000
212	M	A	0.2813
213	L	A	0.8190
214	S	A	0.1690
215	L	A	0.1757
216	A	A	0.2805
217	Q	A	-0.5220
231	T	A	0.1366
232	T	A	0.0000
233	L	A	0.3210
234	G	A	0.0000
235	T	A	-0.4185
236	I	A	-0.5879
237	H	A	-1.3594
238	S	A	-1.2368
239	P	A	-1.5012
240	E	A	-2.7973
241	D	A	-2.8016
242	V	A	0.0000
243	I	A	0.0000
244	K	A	-3.2796
245	A	A	-2.2023
246	L	A	0.0000
247	A	A	0.0000
248	D	A	-2.6195