Project name: 4_i20e6_x11e6_x4e7_i14e7

Chain sequence(s)	A: AAYVYDFAFRDLAAYRFHNIAGHYAAYCYSLYGTTLAAYKTVLELTEVAAYAEKLRHLNEKRRFHNGPGPGLDKKQRFHNIRGRWTGPGPGNPAEKLRHLNEKRRFGPGPGSKISEYRHYCYSLYGGPGPGLLCHEQLSDSEEENDGPGPGQSTHVDIRTLEDLLMGPGPGTPTLHEYMLDLQPETGPGPGLQDIVLHLEPQNEIPGPGPGYRAHYNIVTFAAYTLQDIVLHLAAYLLMGTLGIVAAYLPARRAEPQAAY
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]                                                (00:00:01)
[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 A 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                                          (00:02:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:32)

• Minimal score value: -4.5451
• Maximal score value: 4.1121
• Average score: -0.2833
• Total score value: -73.6682

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	A	A	0.9908
2	A	A	1.1277
3	Y	A	2.2989
4	V	A	2.9492
5	Y	A	2.3738
6	D	A	0.5411
7	F	A	1.8204
8	A	A	1.2816
9	F	A	1.4353
10	R	A	-1.1538
11	D	A	-1.1311
12	L	A	0.4254
13	A	A	-0.2417
14	A	A	-0.1794
15	Y	A	0.2414
16	R	A	-1.0161
17	F	A	0.7116
18	H	A	-0.5335
19	N	A	-1.1737
20	I	A	0.2735
21	A	A	0.2011
22	G	A	-0.6322
23	H	A	-0.1455
24	Y	A	1.0545
25	A	A	0.7953
26	A	A	1.0806
27	Y	A	1.5257
28	C	A	1.7115
29	Y	A	2.1169
30	S	A	1.3060
31	L	A	1.6545
32	Y	A	1.9807
33	G	A	1.1954
34	T	A	0.8063
35	T	A	0.9825
36	L	A	1.5288
37	A	A	0.9523
38	A	A	0.5450
39	Y	A	1.0180
40	K	A	-0.2841
41	T	A	0.6530
42	V	A	1.9644
43	L	A	1.5376
44	E	A	-0.3349
45	L	A	1.4862
46	T	A	0.8493
47	E	A	-0.2030
48	V	A	1.2465
49	A	A	0.2700
50	A	A	-0.2198
51	Y	A	0.3202
52	A	A	-0.7720
53	E	A	-2.3793
54	K	A	-2.2385
55	L	A	-1.8148
56	R	A	-3.7538
57	H	A	-3.9192
58	L	A	-3.0835
59	N	A	-4.0689
60	E	A	-4.5451
61	K	A	-4.2370
62	R	A	-4.3518
63	R	A	-3.7666
64	F	A	-1.4736
65	H	A	-2.4337
66	N	A	-2.3535
67	G	A	-1.4679
68	P	A	-1.2408
69	G	A	-0.9487
70	P	A	-0.6514
71	G	A	-0.5789
72	L	A	-0.2182
73	D	A	-2.5091
74	K	A	-3.3749
75	K	A	-3.5754
76	Q	A	-3.1561
77	R	A	-2.2437
78	F	A	0.0347
79	H	A	-0.9184
80	N	A	-0.9770
81	I	A	0.1621
82	R	A	-1.7618
83	G	A	-1.5658
84	R	A	-1.7145
85	W	A	-0.1962
86	T	A	-0.3162
87	G	A	-0.6414
88	P	A	-0.7036
89	G	A	-1.1247
90	P	A	-1.1963
91	G	A	-1.4226
92	N	A	-2.1651
93	P	A	-1.6872
94	A	A	-1.6183
95	E	A	-2.7595
96	K	A	-2.4861
97	L	A	-0.7264
98	R	A	-2.2142
99	H	A	-1.5973
100	L	A	-0.9077
101	N	A	-2.4377
102	E	A	-3.5326
103	K	A	-3.7148
104	R	A	-3.4964
105	R	A	-2.5107
106	F	A	0.0045
107	G	A	-0.5689
108	P	A	-0.6946
109	G	A	-0.9023
110	P	A	-1.3566
111	G	A	-1.1205
112	S	A	-0.9436
113	K	A	-1.3555
114	I	A	-0.0475
115	S	A	-1.0359
116	E	A	-2.0738
117	Y	A	-0.5898
118	R	A	-1.8513
119	H	A	-1.1384
120	Y	A	1.0687
121	C	A	1.7676
122	Y	A	2.1987
123	S	A	1.5870
124	L	A	2.2799
125	Y	A	1.5546
126	G	A	-0.0635
127	G	A	-1.0914
128	P	A	-0.9922
129	G	A	-1.2988
130	P	A	-1.0262
131	G	A	-0.9922
132	L	A	0.0000
133	L	A	0.5568
134	C	A	-0.4524
135	H	A	-2.0085
136	E	A	-2.6580
137	Q	A	-1.9725
138	L	A	-0.2804
139	S	A	-1.1204
140	D	A	-2.3707
141	S	A	-2.4583
142	E	A	-3.7937
143	E	A	-4.3807
144	E	A	-4.2163
145	N	A	-3.8336
146	D	A	-3.5000
147	G	A	-2.2290
148	P	A	-1.7427
149	G	A	-1.5816
150	P	A	-1.2897
151	G	A	-1.2205
152	Q	A	-0.7288
153	S	A	-0.0588
154	T	A	-0.4039
155	H	A	-1.0755
156	V	A	-0.3825
157	D	A	-1.5710
158	I	A	0.8288
159	R	A	-1.0133
160	T	A	-0.7564
161	L	A	0.4230
162	E	A	-1.4304
163	D	A	-1.0680
164	L	A	1.4611
165	L	A	2.0209
166	M	A	1.6273
167	G	A	0.3337
168	P	A	-0.6905
169	G	A	-1.0778
170	P	A	-1.0106
171	G	A	-1.0470
172	T	A	-0.6424
173	P	A	-0.2752
174	T	A	-0.0272
175	L	A	0.6434
176	H	A	-0.8748
177	E	A	-1.0597
178	Y	A	1.2319
179	M	A	1.6814
180	L	A	1.6220
181	D	A	-0.1809
182	L	A	0.5352
183	Q	A	-1.2785
184	P	A	-1.6163
185	E	A	-2.2218
186	T	A	-1.5233
187	G	A	-1.2218
188	P	A	-0.8355
189	G	A	-0.7626
190	P	A	-0.5894
191	G	A	-0.3437
192	L	A	0.4275
193	Q	A	-1.0202
194	D	A	-0.6209
195	I	A	2.2355
196	V	A	2.9153
197	L	A	2.6184
198	H	A	0.7247
199	L	A	0.4928
200	E	A	-1.4933
201	P	A	-2.0318
202	Q	A	-2.5100
203	N	A	-2.3819
204	E	A	-1.8945
205	I	A	0.4514
206	P	A	-0.2878
207	G	A	-0.5586
208	P	A	-0.6705
209	G	A	-0.8237
210	P	A	-0.7514
211	G	A	-0.5706
212	Y	A	-0.0574
213	R	A	-1.4346
214	A	A	-0.7969
215	H	A	-0.7484
216	Y	A	0.9128
217	N	A	0.7620
218	I	A	2.7046
219	V	A	2.9009
220	T	A	2.1016
221	F	A	2.3970
222	A	A	1.9832
223	A	A	1.6162
224	Y	A	1.8537
225	T	A	1.4769
226	L	A	2.2873
227	Q	A	0.8781
228	D	A	0.4140
229	I	A	2.7253
230	V	A	3.0593
231	L	A	2.2985
232	H	A	1.5175
233	L	A	2.9894
234	A	A	2.6426
235	A	A	2.5731
236	Y	A	3.2789
237	L	A	3.0379
238	L	A	3.2242
239	M	A	3.3403
240	G	A	2.5246
241	T	A	2.8723
242	L	A	3.6664
243	G	A	2.5934
244	I	A	3.9486
245	V	A	4.1121
246	A	A	2.7211
247	A	A	2.5263
248	Y	A	3.2796
249	L	A	2.5941
250	P	A	0.2723
251	A	A	-0.8988
252	R	A	-2.8145
253	R	A	-3.3146
254	A	A	-2.5044
255	E	A	-3.0554
256	P	A	-1.9282
257	Q	A	-1.5959
258	A	A	-0.4802
259	A	A	0.3623
260	Y	A	1.2033