Project name: 6ce27fbfd03ac78

Chain sequence(s)	X: TDWNEIKGKVPVEVVQSPHSPNLYFVLLVPKVALEYHNLNNQVVKESLEVKATQSSFNPTQRLQKDSPVKDSSKQGEKLSETTASSMSSGMATSTRAKALKVEVERGSQSDSLLKNDFAKKPLKHKNSSGEVKLEAEKEFTEAWKPLLTTDQIAREKGMGATVVSFYDAPYSENHTAFGLVDHIDPKKMVENYPPSWKT
Selected Chain(s)	X
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with X chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:56)
[CRITICAL]   pyMol:    Pymol encountered an error: /bin/sh: pymol: command not found Movie         
                       creation failed.                                                            (00:04:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:59)

• Minimal score value: -3.3841
• Maximal score value: 2.1187
• Average score: -0.9618
• Total score value: -191.402

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	T	X	-0.1647
2	D	X	-1.5389
3	W	X	-0.7851
4	N	X	-2.1625
5	E	X	-2.4944
6	I	X	0.0000
7	K	X	-2.4043
8	G	X	-1.8771
9	K	X	0.0000
10	V	X	0.1125
11	P	X	0.4817
12	V	X	1.1943
13	E	X	0.4726
14	V	X	2.1122
15	V	X	1.9134
16	Q	X	0.0632
17	S	X	-0.6219
18	P	X	-0.9353
19	H	X	-1.4359
20	S	X	-1.0428
21	P	X	-0.9757
22	N	X	-1.0602
23	L	X	0.0486
24	Y	X	1.0824
25	F	X	1.8927
26	V	X	0.0000
27	L	X	1.1365
28	L	X	0.0000
29	V	X	0.5409
30	P	X	-0.3264
31	K	X	-0.7317
32	V	X	0.6253
33	A	X	0.4636
34	L	X	0.5938
35	E	X	-0.6234
36	Y	X	-0.0364
37	H	X	-1.4826
38	N	X	-1.7351
39	L	X	-1.2170
40	N	X	-2.2485
41	N	X	-2.8985
42	Q	X	-2.3364
43	V	X	-0.9337
44	V	X	-1.5875
45	K	X	-2.7003
46	E	X	-2.3661
47	S	X	-0.9095
48	L	X	0.0884
49	E	X	-1.1428
50	V	X	0.6847
51	K	X	-0.5775
52	A	X	-0.2105
53	T	X	-0.6540
54	Q	X	-1.3372
55	S	X	-0.9423
56	S	X	-0.5658
57	F	X	-0.2286
58	N	X	-1.5118
59	P	X	-1.2231
60	T	X	-1.0509
61	Q	X	-1.7699
62	R	X	-1.1345
63	L	X	0.0484
64	Q	X	-1.0380
65	K	X	-2.3051
66	D	X	-2.2372
67	S	X	-1.6460
68	P	X	-1.9081
69	V	X	-1.2657
70	K	X	-2.4000
71	D	X	-2.2323
72	S	X	-1.4929
73	S	X	-1.2733
74	K	X	-2.7786
75	Q	X	-2.9626
76	G	X	-2.3299
77	E	X	-2.7341
78	K	X	-2.9156
79	L	X	-1.1455
80	S	X	-1.2060
81	E	X	-1.6125
82	T	X	-0.7455
83	T	X	-0.5499
84	A	X	-0.3627
85	S	X	-0.2196
86	S	X	0.0766
87	M	X	0.8583
88	S	X	0.1630
89	S	X	0.1310
90	G	X	0.3836
91	M	X	1.0747
92	A	X	0.5186
93	T	X	-0.1088
94	S	X	-0.9284
95	T	X	-1.1657
96	R	X	-2.0564
97	A	X	-1.3069
98	K	X	-1.3063
99	A	X	-0.3167
100	L	X	0.1889
101	K	X	-0.2097
102	V	X	0.3666
103	E	X	-0.5746
104	V	X	-0.4182
105	E	X	-1.7168
106	R	X	-2.0263
107	G	X	-1.1016
108	S	X	-1.3019
109	Q	X	-1.8772
110	S	X	-1.8285
111	D	X	-2.1683
112	S	X	-1.3709
113	L	X	-0.4664
114	L	X	0.1028
115	K	X	-0.9954
116	N	X	-0.5773
117	D	X	-0.6259
118	F	X	1.0200
119	A	X	-0.2989
120	K	X	-2.3231
121	K	X	-3.0897
122	P	X	-2.9031
123	L	X	-2.3312
124	K	X	-2.7791
125	H	X	-2.7569
126	K	X	-3.0735
127	N	X	-2.9600
128	S	X	-1.6918
129	S	X	-1.1511
130	G	X	-1.9686
131	E	X	-3.1241
132	V	X	-2.5962
133	K	X	-2.0194
134	L	X	-0.0728
135	E	X	-1.4653
136	A	X	-1.3155
137	E	X	-2.6661
138	K	X	-2.4893
139	E	X	0.0000
140	F	X	-0.8296
141	T	X	-1.2500
142	E	X	-2.3375
143	A	X	-1.4283
144	W	X	-1.0493
145	K	X	-1.8219
146	P	X	-0.5037
147	L	X	0.5264
148	L	X	0.1291
149	T	X	-0.7250
150	T	X	-1.2232
151	D	X	-2.3078
152	Q	X	-2.0184
153	I	X	-1.6353
154	A	X	-2.3761
155	R	X	-3.3841
156	E	X	-3.2729
157	K	X	-2.1441
158	G	X	-2.0737
159	M	X	-0.8150
160	G	X	-0.5286
161	A	X	0.1841
162	T	X	0.0000
163	V	X	0.5523
164	V	X	0.0000
165	S	X	1.6049
166	F	X	1.4619
167	Y	X	0.5202
168	D	X	-0.6187
169	A	X	-0.9481
170	P	X	-0.7430
171	Y	X	0.2610
172	S	X	-1.2632
173	E	X	-2.5532
174	N	X	-2.6271
175	H	X	-2.1757
176	T	X	-0.9224
177	A	X	0.5717
178	F	X	2.1187
179	G	X	1.4709
180	L	X	1.6139
181	V	X	0.5459
182	D	X	-1.1179
183	H	X	-0.5899
184	I	X	-0.0278
185	D	X	-1.4073
186	P	X	-1.4338
187	K	X	-2.3810
188	K	X	-2.4531
189	M	X	-1.1335
190	V	X	-1.4263
191	E	X	-2.7155
192	N	X	-2.1774
193	Y	X	-0.8498
194	P	X	-0.5828
195	P	X	-0.7812
196	S	X	-0.2622
197	W	X	0.2617
198	K	X	-1.1889
199	T	X	-0.6939