Project name: 4-11

Chain sequence(s)	A: KPHIDNYLHEKDKEDKIEQYDKEQKAQAAKDPKKKKKPEIPKDKSKVAGYIEIPDANIKEPVYPGPATREQLNRGVSFAEADESLEDQNISIAGHTFIDRPNYQFTNLKAAKKGSKVYFKVGNETREYKMTSIRNVKPTAVGVLDEQEGKDKQLTLITCDDYNEETGVWETRKIFVATEVK
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                                          (00:05:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:00)

• Minimal score value: -4.934
• Maximal score value: 1.1823
• Average score: -1.5767
• Total score value: -285.3892

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	K	A	-2.2643
2	P	A	-2.1618
3	H	A	-1.4898
4	I	A	-0.5153
5	D	A	-1.9478
6	N	A	-1.7209
7	Y	A	-0.2885
8	L	A	-0.6221
9	H	A	-1.8891
10	E	A	-2.4729
11	K	A	-3.4726
12	D	A	-3.8721
13	K	A	-3.6772
14	E	A	-4.3430
15	D	A	-4.9340
16	K	A	-4.0765
17	I	A	0.0000
18	E	A	-4.7538
19	Q	A	-4.4832
20	Y	A	0.0000
21	D	A	-4.2429
22	K	A	-4.6746
23	E	A	-4.3306
24	Q	A	-3.7492
25	K	A	-4.0286
26	A	A	-3.1021
27	Q	A	-3.8365
28	A	A	-3.5856
29	A	A	-2.3577
30	K	A	-3.2588
31	D	A	-3.7679
32	P	A	-3.1570
33	K	A	-3.8240
34	K	A	-4.8384
35	K	A	-4.6185
36	K	A	-4.8565
37	K	A	-4.1740
38	P	A	-2.9648
39	E	A	-2.7669
40	I	A	-1.4629
41	P	A	-1.8452
42	K	A	-2.6027
43	D	A	-2.1764
44	K	A	-2.3401
45	S	A	-1.8097
46	K	A	-2.2366
47	V	A	-1.0112
48	A	A	0.0000
49	G	A	0.0000
50	Y	A	-0.2782
51	I	A	0.0000
52	E	A	-1.3185
53	I	A	0.0000
54	P	A	-1.8515
55	D	A	-3.0193
56	A	A	0.0000
57	N	A	-2.3031
58	I	A	0.0000
59	K	A	-1.4318
60	E	A	0.0000
61	P	A	0.0000
62	V	A	0.0000
63	Y	A	0.0000
64	P	A	0.0000
65	G	A	0.0000
66	P	A	-1.5041
67	A	A	0.0000
68	T	A	-1.8665
69	R	A	-3.1886
70	E	A	-3.3886
71	Q	A	0.0000
72	L	A	0.0000
73	N	A	-2.9883
74	R	A	-2.8846
75	G	A	0.0000
76	V	A	0.0000
77	S	A	0.0000
78	F	A	0.0000
79	A	A	-0.9395
80	E	A	-2.0400
81	A	A	-1.6109
82	D	A	-2.2750
83	E	A	-1.8089
84	S	A	-1.7402
85	L	A	0.0000
86	E	A	-2.5618
87	D	A	-1.7860
88	Q	A	-2.7138
89	N	A	0.0000
90	I	A	0.0000
91	S	A	0.0000
92	I	A	0.0000
93	A	A	0.0000
94	G	A	0.0000
95	H	A	-0.3534
96	T	A	-0.1075
97	F	A	0.8157
98	I	A	1.1823
99	D	A	-1.0411
100	R	A	-1.3182
101	P	A	-0.8040
102	N	A	-1.2666
103	Y	A	-0.5065
104	Q	A	0.0000
105	F	A	0.0000
106	T	A	0.0000
107	N	A	-1.2961
108	L	A	0.0000
109	K	A	-2.2880
110	A	A	-1.9658
111	A	A	0.0000
112	K	A	-3.3551
113	K	A	-2.9263
114	G	A	-2.5102
115	S	A	0.0000
116	K	A	-2.3700
117	V	A	0.0000
118	Y	A	-0.8763
119	F	A	0.0000
120	K	A	-1.0294
121	V	A	0.0000
122	G	A	-2.7677
123	N	A	-3.0580
124	E	A	-1.9694
125	T	A	-1.1468
126	R	A	-1.1001
127	E	A	-1.7334
128	Y	A	0.0000
129	K	A	-2.1040
130	M	A	0.0000
131	T	A	-1.2299
132	S	A	-0.7358
133	I	A	-0.8913
134	R	A	-1.3440
135	N	A	-2.1732
136	V	A	-1.5955
137	K	A	-2.1255
138	P	A	-1.1980
139	T	A	-0.2822
140	A	A	0.0927
141	V	A	1.0958
142	G	A	-0.3340
143	V	A	-0.0902
144	L	A	-0.7501
145	D	A	-2.4203
146	E	A	-3.2209
147	Q	A	-3.6151
148	E	A	-3.6294
149	G	A	-2.7324
150	K	A	-3.3945
151	D	A	-3.2547
152	K	A	-2.5858
153	Q	A	0.0000
154	L	A	0.0000
155	T	A	0.0000
156	L	A	0.0000
157	I	A	0.0000
158	T	A	0.0000
159	C	A	0.0000
160	D	A	-1.7045
161	D	A	-2.6126
162	Y	A	-2.1848
163	N	A	-2.5622
164	E	A	-3.2091
165	E	A	-2.8192
166	T	A	-1.7553
167	G	A	-1.7450
168	V	A	-1.1946
169	W	A	0.0000
170	E	A	-2.6077
171	T	A	-2.0680
172	R	A	-2.0154
173	K	A	-1.8658
174	I	A	0.0000
175	F	A	0.0000
176	V	A	0.0000
177	A	A	0.0000
178	T	A	0.0000
179	E	A	-1.5712
180	V	A	-1.2011
181	K	A	-1.8590