Project name: Ritz

Chain sequence(s)	A: CKEVVRNANEPLRVYAEAAAKEAAAKEAAAKAAEAAAKEAAAKEAAAKALIVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQKWENDECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLVCQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQCHI
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                                          (00:06:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:02)

• Minimal score value: -3.9798
• Maximal score value: 1.1633
• Average score: -1.3137
• Total score value: -277.189

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	C	A	-0.3424
2	K	A	-1.4502
3	E	A	-1.2749
4	V	A	0.6072
5	V	A	0.5270
6	R	A	-1.6201
7	N	A	-1.7983
8	A	A	-1.5836
9	N	A	-1.9495
10	E	A	-1.6020
11	P	A	-0.3041
12	L	A	0.5957
13	R	A	-0.9173
14	V	A	0.9918
15	Y	A	1.1633
16	A	A	-0.3209
17	E	A	-1.7150
18	A	A	-1.0270
19	A	A	-1.1834
20	A	A	-1.6714
21	K	A	-3.2409
22	E	A	-3.4940
23	A	A	-2.5256
24	A	A	-2.2047
25	A	A	-2.5401
26	K	A	-3.4262
27	E	A	-3.4178
28	A	A	-2.2390
29	A	A	-1.8078
30	A	A	-2.2432
31	K	A	-2.9368
32	A	A	-1.8394
33	A	A	-1.8619
34	E	A	-3.0021
35	A	A	-2.2691
36	A	A	-1.8199
37	A	A	-2.2566
38	K	A	-3.2907
39	E	A	-3.3857
40	A	A	-2.3379
41	A	A	-1.9348
42	A	A	-2.2889
43	K	A	-3.0697
44	E	A	-2.6898
45	A	A	-1.5709
46	A	A	-1.0948
47	A	A	-1.2441
48	K	A	-1.7761
49	A	A	-0.5476
50	L	A	0.2129
51	I	A	0.0000
52	V	A	0.2796
53	T	A	-0.1180
54	Q	A	-0.4875
55	T	A	-0.2726
56	M	A	-0.8682
57	K	A	-1.8064
58	G	A	-1.2535
59	L	A	-1.1367
60	D	A	-1.5913
61	I	A	-1.5289
62	Q	A	-2.0570
63	K	A	-2.6009
64	V	A	0.0000
65	A	A	-1.1986
66	G	A	-0.9275
67	T	A	-0.5331
68	W	A	0.0000
69	Y	A	-0.8439
70	S	A	0.0000
71	L	A	0.0000
72	A	A	0.0000
73	M	A	0.0000
74	A	A	0.0000
75	A	A	0.0000
76	S	A	-0.8172
77	D	A	-1.1136
78	I	A	0.0876
79	S	A	-0.4647
80	L	A	-0.4800
81	L	A	0.0000
82	D	A	-1.8446
83	A	A	-1.2218
84	Q	A	-1.7216
85	S	A	-2.0795
86	A	A	0.0000
87	P	A	-0.9726
88	L	A	0.0000
89	R	A	-0.8911
90	V	A	0.0000
91	Y	A	0.0000
92	V	A	0.0000
93	E	A	-1.1326
94	E	A	-1.0703
95	L	A	0.0000
96	K	A	-1.3718
97	P	A	-1.6893
98	T	A	-1.5577
99	P	A	-1.4671
100	E	A	-2.5558
101	G	A	-2.3235
102	D	A	-2.4458
103	L	A	0.0000
104	E	A	-0.8830
105	I	A	0.0000
106	L	A	-1.3502
107	L	A	0.0000
108	Q	A	-1.8861
109	K	A	-2.0799
110	W	A	-2.6750
111	E	A	-3.8471
112	N	A	-3.5636
113	D	A	-3.9267
114	E	A	-3.8486
115	C	A	-2.1341
116	A	A	-2.1320
117	Q	A	-2.4694
118	K	A	-2.2796
119	K	A	-2.1165
120	I	A	0.0000
121	I	A	-0.5604
122	A	A	0.0000
123	E	A	-3.2916
124	K	A	-3.3747
125	T	A	-2.2779
126	K	A	-1.7668
127	I	A	-0.7348
128	P	A	-1.1170
129	A	A	0.0000
130	V	A	0.0000
131	F	A	0.0000
132	K	A	-3.1048
133	I	A	0.0000
134	D	A	-2.5613
135	A	A	-1.5870
136	L	A	-0.9615
137	N	A	-2.0924
138	E	A	0.0000
139	N	A	-2.1362
140	K	A	-2.0386
141	V	A	0.0000
142	L	A	0.0000
143	V	A	0.0000
144	L	A	0.0000
145	D	A	-0.6864
146	T	A	0.0000
147	D	A	-1.4986
148	Y	A	-2.0004
149	K	A	-2.8920
150	K	A	-2.9714
151	Y	A	0.0000
152	L	A	0.0000
153	L	A	0.0000
154	F	A	0.0000
155	C	A	0.0000
156	M	A	0.0000
157	E	A	-1.0244
158	N	A	0.0000
159	S	A	-1.8558
160	A	A	-1.9699
161	E	A	-2.8636
162	P	A	-2.4901
163	E	A	-3.1901
164	Q	A	-2.8675
165	S	A	-1.7245
166	L	A	0.0000
167	V	A	0.0000
168	C	A	0.0000
169	Q	A	0.0000
170	C	A	0.0000
171	L	A	0.0000
172	V	A	0.0000
173	R	A	-1.6105
174	T	A	-1.4528
175	P	A	-1.8204
176	E	A	-2.2049
177	V	A	-1.2060
178	D	A	-2.4647
179	D	A	-3.3878
180	E	A	-3.7455
181	A	A	0.0000
182	L	A	-2.5845
183	E	A	-3.9798
184	K	A	-3.1238
185	F	A	0.0000
186	D	A	-3.2474
187	K	A	-3.4145
188	A	A	-2.1083
189	L	A	0.0000
190	K	A	-2.4944
191	A	A	-1.0728
192	L	A	0.0000
193	P	A	-1.0311
194	M	A	-0.7865
195	H	A	-0.9928
196	I	A	-0.7258
197	R	A	-0.9766
198	L	A	-0.5594
199	S	A	-0.4723
200	F	A	0.0000
201	N	A	-1.5580
202	P	A	-1.8480
203	T	A	-1.7806
204	Q	A	-2.0099
205	L	A	0.0000
206	E	A	-3.2181
207	E	A	-2.8106
208	Q	A	0.0000
209	C	A	0.0000
210	H	A	-1.2502
211	I	A	0.6763