Project name: Jan

Chain sequence(s)	A: RPKHPIKHQGLPQEVLNENLLRFFVAPFPEVFGKEKVNELSKDIGSESTEDQAMEDIKQMEAESISSSEEIVPNSVEQKHIQKEDVPSERYLGYLEQLLRLKKYKVPQLEIVPNSAEERLHSMKEGIHAQQKEPMIGVNQELAYFYPELFRQFYQLDAYPSGAWYYVPLGTQYTDAPSFSDIPNPIGSENSEKTTMPLW
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                                          (00:03:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:51)

• Minimal score value: -3.5165
• Maximal score value: 3.4999
• Average score: -0.5767
• Total score value: -114.7689

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	R	A	-2.5044
2	P	A	-2.2343
3	K	A	-2.5367
4	H	A	-2.0274
5	P	A	-0.8397
6	I	A	0.0928
7	K	A	-1.8738
8	H	A	-1.6901
9	Q	A	-1.6702
10	G	A	-1.3297
11	L	A	0.3322
12	P	A	-0.8111
13	Q	A	-1.7174
14	E	A	-2.3805
15	V	A	-0.6837
16	L	A	-0.3347
17	N	A	-1.5517
18	E	A	-1.6937
19	N	A	-0.2610
20	L	A	1.4613
21	L	A	1.6589
22	R	A	0.4052
23	F	A	2.8453
24	F	A	3.4999
25	V	A	2.9710
26	A	A	2.0137
27	P	A	1.4648
28	F	A	2.5458
29	P	A	0.5302
30	E	A	-0.3214
31	V	A	1.5281
32	F	A	1.1928
33	G	A	-1.0388
34	K	A	-2.6250
35	E	A	-2.9221
36	K	A	-2.8393
37	V	A	-0.6586
38	N	A	-2.2705
39	E	A	-2.4650
40	L	A	-0.2284
41	S	A	-1.0145
42	K	A	-2.4007
43	D	A	-2.0452
44	I	A	0.4052
45	G	A	-0.9917
46	S	A	-1.5686
47	E	A	-2.1103
48	S	A	-1.8549
49	T	A	-1.9439
50	E	A	-3.0799
51	D	A	-3.2068
52	Q	A	-2.4199
53	A	A	-1.1552
54	M	A	-0.5385
55	E	A	-1.9566
56	D	A	-2.0110
57	I	A	-0.2853
58	K	A	-1.7595
59	Q	A	-1.5541
60	M	A	-0.5837
61	E	A	-1.9389
62	A	A	-1.5403
63	E	A	-1.8355
64	S	A	-0.1605
65	I	A	1.3537
66	S	A	0.4344
67	S	A	-0.6848
68	S	A	-1.5054
69	E	A	-2.2065
70	E	A	-1.4499
71	I	A	1.3856
72	V	A	1.7401
73	P	A	0.5603
74	N	A	-0.6129
75	S	A	-0.6050
76	V	A	-0.3302
77	E	A	-2.2761
78	Q	A	-2.2640
79	K	A	-2.6855
80	H	A	-2.2800
81	I	A	-1.1032
82	Q	A	-2.6304
83	K	A	-3.1843
84	E	A	-3.0896
85	D	A	-2.6427
86	V	A	-0.3125
87	P	A	-0.3912
88	S	A	-0.7886
89	E	A	-1.6214
90	R	A	-1.7306
91	Y	A	0.6004
92	L	A	0.4893
93	G	A	-0.3626
94	Y	A	0.7924
95	L	A	0.6299
96	E	A	-0.8449
97	Q	A	-0.7592
98	L	A	-0.0443
99	L	A	-0.8279
100	R	A	-1.8643
101	L	A	-0.6591
102	K	A	-1.9889
103	K	A	-1.9147
104	Y	A	-0.3117
105	K	A	-0.9585
106	V	A	0.2699
107	P	A	-0.2345
108	Q	A	-0.1162
109	L	A	1.2539
110	E	A	0.3693
111	I	A	1.8738
112	V	A	1.7403
113	P	A	0.1013
114	N	A	-1.3081
115	S	A	-1.8825
116	A	A	-1.9728
117	E	A	-3.2753
118	E	A	-3.5165
119	R	A	-2.3620
120	L	A	-0.7963
121	H	A	-2.0098
122	S	A	-1.5065
123	M	A	-0.4591
124	K	A	-1.8140
125	E	A	-2.2443
126	G	A	-0.8524
127	I	A	0.4058
128	H	A	-0.8110
129	A	A	-1.1937
130	Q	A	-2.6258
131	Q	A	-3.2406
132	K	A	-3.4638
133	E	A	-2.7499
134	P	A	-0.7489
135	M	A	1.5420
136	I	A	2.3823
137	G	A	0.9628
138	V	A	1.3152
139	N	A	-0.5453
140	Q	A	-1.2256
141	E	A	-1.2216
142	L	A	0.3257
143	A	A	0.4615
144	Y	A	1.0885
145	F	A	1.8023
146	Y	A	1.1462
147	P	A	-0.0240
148	E	A	-1.0275
149	L	A	0.2139
150	F	A	0.3023
151	R	A	-1.6720
152	Q	A	-1.1623
153	F	A	1.0670
154	Y	A	0.8335
155	Q	A	-0.6238
156	L	A	0.6857
157	D	A	-0.9501
158	A	A	0.1605
159	Y	A	0.8784
160	P	A	0.0344
161	S	A	-0.0214
162	G	A	0.1122
163	A	A	1.1803
164	W	A	2.3613
165	Y	A	2.9993
166	Y	A	3.3617
167	V	A	3.2632
168	P	A	1.8268
169	L	A	1.7624
170	G	A	0.1669
171	T	A	-0.3164
172	Q	A	-0.5154
173	Y	A	0.2590
174	T	A	-0.5760
175	D	A	-1.5905
176	A	A	-0.5506
177	P	A	-0.3724
178	S	A	0.0335
179	F	A	1.4922
180	S	A	0.1276
181	D	A	-0.5366
182	I	A	0.9274
183	P	A	0.0131
184	N	A	-0.8145
185	P	A	0.1077
186	I	A	1.2181
187	G	A	-0.1537
188	S	A	-1.2850
189	E	A	-2.9565
190	N	A	-3.0020
191	S	A	-2.7722
192	E	A	-3.3461
193	K	A	-2.8756
194	T	A	-1.1351
195	T	A	-0.0722
196	M	A	1.3205
197	P	A	1.3012
198	L	A	2.2080
199	W	A	1.9629