Project name: f3ebf9b1d800c66

Chain sequence(s)	A: SDYVNYDIIVRHYNYTGKLNIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVWSLLAIAIERYITMLKMKNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIR
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                                          (00:04:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:21)

• Minimal score value: -3.2858
• Maximal score value: 3.2642
• Average score: 0.3661
• Total score value: 103.2291

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
17	S	A	-0.6694
18	D	A	-1.2346
19	Y	A	0.4853
20	V	A	0.8939
21	N	A	-0.5646
22	Y	A	0.0239
23	D	A	-1.3266
24	I	A	-0.3901
25	I	A	0.0000
26	V	A	-0.5352
27	R	A	-1.7022
28	H	A	0.0000
29	Y	A	-0.4397
30	N	A	-1.5697
31	Y	A	-0.6625
32	T	A	0.0000
33	G	A	-0.5829
34	K	A	-0.1160
35	L	A	-0.1335
36	N	A	-0.4519
37	I	A	1.3524
46	K	A	-0.6416
47	L	A	1.3098
48	T	A	0.8449
49	S	A	1.2803
50	V	A	2.0700
51	V	A	2.2322
52	F	A	2.1366
53	I	A	2.6839
54	L	A	2.8890
55	I	A	2.4803
56	C	A	0.0000
57	C	A	2.7200
58	F	A	3.2143
59	I	A	0.0000
60	I	A	2.8387
61	L	A	2.7928
62	E	A	1.6059
63	N	A	0.0000
64	I	A	2.0310
65	F	A	1.9275
66	V	A	0.0000
67	L	A	0.0000
68	L	A	1.1024
69	T	A	0.3716
70	I	A	0.0000
71	W	A	0.0086
72	K	A	-1.7669
73	T	A	-1.9808
74	K	A	-3.2858
75	K	A	-3.2243
76	F	A	0.0000
77	H	A	-2.6660
78	R	A	-2.5865
79	P	A	-0.9876
80	M	A	-0.3070
81	Y	A	-0.1370
82	Y	A	0.5863
83	F	A	0.0000
84	I	A	0.0000
85	G	A	0.8460
86	N	A	0.5174
87	L	A	0.0000
88	A	A	0.0000
89	L	A	1.6129
90	S	A	0.0000
91	D	A	0.0000
92	L	A	1.7952
93	L	A	1.7846
94	A	A	0.0000
95	G	A	0.0000
96	V	A	1.8885
97	A	A	0.0000
98	Y	A	0.0000
99	T	A	1.2801
100	A	A	1.0906
101	N	A	0.9038
102	L	A	1.3677
103	L	A	1.8474
104	L	A	1.1830
105	S	A	0.5579
106	G	A	0.0594
107	A	A	-0.0597
108	T	A	-0.1437
109	T	A	0.0000
110	Y	A	-0.0813
111	K	A	-1.0876
112	L	A	-0.2581
113	T	A	0.1746
114	P	A	0.0000
115	A	A	0.8598
116	Q	A	0.3828
117	W	A	0.0000
118	F	A	0.0000
119	L	A	1.4487
120	R	A	0.0000
121	E	A	0.2676
122	G	A	0.8770
123	S	A	0.7689
124	M	A	0.0000
125	F	A	0.6187
126	V	A	1.2398
127	A	A	0.0000
128	L	A	0.4911
129	S	A	0.0000
130	A	A	1.1247
131	S	A	0.0000
132	V	A	0.0000
133	W	A	0.6409
134	S	A	0.0000
135	L	A	0.3553
136	L	A	0.5139
137	A	A	0.0000
138	I	A	0.0000
139	A	A	0.0000
140	I	A	0.3749
141	E	A	-0.1133
142	R	A	0.0824
143	Y	A	0.7084
144	I	A	0.9422
145	T	A	0.6519
146	M	A	1.0075
147	L	A	1.3655
148	K	A	-0.6823
149	M	A	-0.4076
150	K	A	-1.6589
157	N	A	-0.1894
158	F	A	1.4956
159	R	A	0.2799
160	L	A	1.0536
161	F	A	2.0736
162	L	A	1.7586
163	L	A	1.4738
164	I	A	1.4292
165	S	A	1.4394
166	A	A	1.4977
167	C	A	0.0000
168	W	A	2.3407
169	V	A	2.9900
170	I	A	2.6837
171	S	A	0.0000
172	L	A	3.2021
173	I	A	3.2642
174	L	A	1.9997
175	G	A	0.0000
176	G	A	1.8582
177	L	A	1.7603
178	P	A	0.0000
179	I	A	2.7199
180	M	A	1.8640
181	G	A	1.0179
182	W	A	0.9841
183	N	A	0.7101
184	C	A	0.0000
185	I	A	0.9488
186	S	A	0.4942
187	A	A	0.3267
188	L	A	0.3757
189	S	A	-0.0434
190	S	A	-0.3938
191	C	A	0.0000
192	S	A	0.0000
193	T	A	0.0407
194	V	A	0.2408
195	L	A	0.4984
196	P	A	0.0000
197	L	A	0.0000
198	Y	A	0.0000
199	H	A	-0.6130
200	K	A	-0.6895
201	H	A	-0.7226
202	Y	A	0.0000
203	I	A	0.0000
204	L	A	0.7699
205	F	A	0.6161
206	C	A	0.8432
207	T	A	1.1669
208	T	A	0.8905
209	V	A	1.1594
210	F	A	1.3752
211	T	A	1.4749
212	L	A	2.2744
213	L	A	0.0000
214	L	A	2.1384
215	L	A	2.7831
216	S	A	1.9966
217	I	A	0.0000
218	V	A	2.1366
219	I	A	2.2094
220	L	A	0.0000
221	Y	A	0.0000
222	C	A	1.1497
223	R	A	-0.1100
224	I	A	0.0000
225	Y	A	0.1705
226	S	A	-0.6531
227	L	A	-0.1569
228	V	A	0.0000
229	R	A	-2.5486
230	T	A	-2.1100
231	R	A	-2.3835
232	S	A	-1.8445
233	R	A	-2.8373
234	R	A	-2.3893
235	L	A	0.1742
236	T	A	0.3587
237	F	A	0.9254
238	R	A	-0.7493
251	S	A	0.1184
252	L	A	0.1339
253	A	A	0.2642
254	L	A	0.6357
255	L	A	1.3127
256	K	A	-0.1520
257	T	A	0.6797
258	V	A	1.6873
259	I	A	2.4114
260	I	A	1.7406
261	V	A	1.4438
262	L	A	1.7036
263	S	A	1.2977
264	V	A	1.2001
265	F	A	0.0000
266	I	A	1.0883
267	A	A	0.6427
268	C	A	0.0000
269	W	A	0.0000
270	A	A	1.1207
271	P	A	1.3668
272	L	A	1.8925
273	F	A	2.0065
274	I	A	2.7657
275	L	A	0.0000
276	L	A	1.9012
277	L	A	2.2870
278	L	A	2.3239
279	D	A	0.0000
280	V	A	0.4199
281	G	A	-0.1168
282	C	A	-0.6230
283	K	A	-1.8814
284	V	A	-1.3326
285	K	A	-2.1448
286	T	A	-1.4105
287	C	A	-0.8625
288	D	A	-1.4484
289	I	A	0.3039
290	L	A	0.0000
291	F	A	-0.6244
292	R	A	-1.4342
293	A	A	-0.2926
294	E	A	-0.8739
295	Y	A	0.8221
296	F	A	1.1172
297	L	A	1.1568
298	V	A	1.2475
299	L	A	1.4022
300	A	A	0.0000
301	V	A	0.0000
302	L	A	1.0532
303	N	A	0.0000
304	S	A	0.0000
305	G	A	0.9693
306	T	A	0.5262
307	N	A	0.0000
308	P	A	0.0000
309	I	A	1.4852
310	I	A	1.3105
311	Y	A	0.7905
312	T	A	0.0000
313	L	A	0.1315
314	T	A	-0.4178
315	N	A	-1.5675
316	K	A	-2.9855
317	E	A	-2.2958
318	M	A	0.0000
319	R	A	-2.8567
320	R	A	-2.7694
321	A	A	-1.7964
322	F	A	-0.5017
323	I	A	0.1152
324	R	A	-1.3169