Project name: kp35

Chain sequence(s)	A: MKTVLEEKTVEIDGKIFNIEVTVETETENGEEKIVNKTITVKSSEEEKKKGFTLETTKKEKIIEKVINIDGKEIKIIKKIITETLIAKNSKTGETITLTFKYELTYKDSEEDKKKAKEEYERKKIEALKESGLDDFLGIEIKLAELK
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                                          (00:17:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:17:54)

• Minimal score value: -5.4345
• Maximal score value: 0.3799
• Average score: -1.7068
• Total score value: -250.8938

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	M	A	-0.6521
2	K	A	-1.5522
3	T	A	-0.3214
4	V	A	0.1037
5	L	A	0.0044
6	E	A	-2.2667
7	E	A	-3.1742
8	K	A	-2.8068
9	T	A	-1.5375
10	V	A	-0.6613
11	E	A	-1.6497
12	I	A	-0.4648
13	D	A	-1.8771
14	G	A	-1.5531
15	K	A	-1.6917
16	I	A	-1.5108
17	F	A	0.0000
18	N	A	-1.9314
19	I	A	-1.5534
20	E	A	-1.7903
21	V	A	0.0000
22	T	A	-0.8332
23	V	A	0.0000
24	E	A	-2.0960
25	T	A	-2.3255
26	E	A	-3.5027
27	T	A	-3.4877
28	E	A	-4.2005
29	N	A	-3.3944
30	G	A	-3.2271
31	E	A	-4.3464
32	E	A	-4.0840
33	K	A	-2.7784
34	I	A	-0.7897
35	V	A	-1.0806
36	N	A	-1.6102
37	K	A	-1.2704
38	T	A	-1.1196
39	I	A	-0.7016
40	T	A	-0.7683
41	V	A	-0.7093
42	K	A	-1.2825
43	S	A	0.0000
44	S	A	0.0000
45	E	A	-3.7594
46	E	A	-3.9243
47	E	A	0.0000
48	K	A	-3.5823
49	K	A	-3.9398
50	K	A	-3.5875
51	G	A	0.0000
52	F	A	-1.0285
53	T	A	-1.2025
54	L	A	-0.2411
55	E	A	-0.9733
56	T	A	-0.2888
57	T	A	-0.6427
58	K	A	-1.1386
59	K	A	-2.1222
60	E	A	-1.7022
61	K	A	-1.4133
62	I	A	-0.5651
63	I	A	-0.6545
64	E	A	-2.1104
65	K	A	-1.2814
66	V	A	-0.0150
67	I	A	0.0516
68	N	A	-1.7816
69	I	A	-0.9672
70	D	A	-2.5120
71	G	A	-2.4271
72	K	A	-3.0839
73	E	A	-2.5976
74	I	A	-1.2654
75	K	A	-1.7154
76	I	A	-1.2360
77	I	A	0.0000
78	K	A	-1.6291
79	K	A	-1.3703
80	I	A	-1.3622
81	I	A	0.0000
82	T	A	-1.6685
83	E	A	-1.0266
84	T	A	-0.5169
85	L	A	0.2513
86	I	A	0.1902
87	A	A	0.0000
88	K	A	-1.5293
89	N	A	-1.8066
90	S	A	-2.3647
91	K	A	-2.4944
92	T	A	-1.8413
93	G	A	-2.0556
94	E	A	-2.5418
95	T	A	-1.0573
96	I	A	-0.0430
97	T	A	0.1679
98	L	A	0.3799
99	T	A	-0.2463
100	F	A	-0.8077
101	K	A	-2.3044
102	Y	A	0.0000
103	E	A	-2.4402
104	L	A	0.0000
105	T	A	-1.2579
106	Y	A	0.0000
107	K	A	-2.4686
108	D	A	-2.5645
109	S	A	-3.0904
110	E	A	-4.2620
111	E	A	-4.7221
112	D	A	-4.4826
113	K	A	-5.0942
114	K	A	-5.4345
115	K	A	-5.1205
116	A	A	-4.4657
117	K	A	-4.7764
118	E	A	-4.4684
119	E	A	-3.8699
120	Y	A	0.0000
121	E	A	-3.1165
122	R	A	-2.9211
123	K	A	-2.8090
124	K	A	-2.2259
125	I	A	-1.9989
126	E	A	-2.9085
127	A	A	-2.2713
128	L	A	-1.7286
129	K	A	-3.3264
130	E	A	-2.8406
131	S	A	-1.7495
132	G	A	-1.6756
133	L	A	0.0000
134	D	A	-1.8123
135	D	A	-2.1048
136	F	A	-0.8392
137	L	A	-0.2660
138	G	A	-0.6387
139	I	A	-0.0868
140	E	A	-1.9100
141	I	A	-1.4996
142	K	A	-1.7530
143	L	A	-0.3959
144	A	A	-0.6178
145	E	A	-1.4087
146	L	A	-0.1243
147	K	A	-1.4682