Project name: amelogenin X

Chain sequence(s)	A: MGTWILFACLLGAAFAMPLPPHPGHPGYINFSYENSHSQAINVDRTALVLTPLKWYQSIRPPYPSYGYEPMGGWLHHQIIPVLSQQHPPTHTLQPHHHIPVVPAQQPVIPQQPMMPVPGQHSMTPIQHHQPNLPPPAQQPYQPQPVQPQPHQPMQPQPPVHPMQPLPPQPPLPPMFPMQPLPPMLPDLTLEAWPSTDKTKREEVD
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                                          (00:02:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:46)

• Minimal score value: -4.1483
• Maximal score value: 4.2057
• Average score: 0.0559
• Total score value: 11.4508

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	1.4607
2	G	A	1.2145
3	T	A	1.9475
4	W	A	3.1601
5	I	A	3.3200
6	L	A	3.9821
7	F	A	4.2057
8	A	A	3.0229
9	C	A	3.3505
10	L	A	3.7220
11	L	A	2.7716
12	G	A	2.0218
13	A	A	1.9252
14	A	A	2.1129
15	F	A	2.8384
16	A	A	1.8297
17	M	A	1.9267
18	P	A	1.3987
19	L	A	1.6644
20	P	A	0.4884
21	P	A	-0.2561
22	H	A	-1.2535
23	P	A	-1.1048
24	G	A	-1.3514
25	H	A	-1.4903
26	P	A	-0.8407
27	G	A	-0.5211
28	Y	A	0.3537
29	I	A	0.8719
30	N	A	0.4526
31	F	A	0.6667
32	S	A	-0.0734
33	Y	A	-0.0516
34	E	A	-2.0316
35	N	A	-2.2802
36	S	A	-1.7948
37	H	A	-1.9279
38	S	A	-1.5721
39	Q	A	-1.3350
40	A	A	-0.1455
41	I	A	0.7249
42	N	A	-0.4417
43	V	A	0.3522
44	D	A	-1.1168
45	R	A	-1.3453
46	T	A	0.0161
47	A	A	0.7358
48	L	A	1.8338
49	V	A	2.4587
50	L	A	2.0958
51	T	A	1.5355
52	P	A	1.2987
53	L	A	1.6543
54	K	A	-0.1449
55	W	A	0.7404
56	Y	A	0.9393
57	Q	A	-0.6761
58	S	A	0.0544
59	I	A	1.1573
60	R	A	-0.2375
61	P	A	-0.2595
62	P	A	-0.0517
63	Y	A	0.9354
64	P	A	0.5057
65	S	A	0.5552
66	Y	A	1.2526
67	G	A	0.1862
68	Y	A	0.6272
69	E	A	-1.0040
70	P	A	-0.3250
71	M	A	0.7698
72	G	A	0.2797
73	G	A	0.3129
74	W	A	1.2857
75	L	A	1.0774
76	H	A	-0.6072
77	H	A	-0.6250
78	Q	A	-0.1962
79	I	A	2.1622
80	I	A	3.0724
81	P	A	2.1958
82	V	A	3.1910
83	L	A	2.1377
84	S	A	0.0904
85	Q	A	-1.8333
86	Q	A	-2.2672
87	H	A	-2.0950
88	P	A	-1.1352
89	P	A	-0.8324
90	T	A	-0.6388
91	H	A	-0.7944
92	T	A	-0.0589
93	L	A	0.5355
94	Q	A	-0.9469
95	P	A	-1.3782
96	H	A	-1.7966
97	H	A	-1.6304
98	H	A	-0.6647
99	I	A	1.7296
100	P	A	1.6795
101	V	A	2.8906
102	V	A	2.5215
103	P	A	0.5837
104	A	A	-0.3318
105	Q	A	-1.3313
106	Q	A	-1.1976
107	P	A	0.2803
108	V	A	1.8679
109	I	A	2.0414
110	P	A	0.1762
111	Q	A	-1.0064
112	Q	A	-1.2720
113	P	A	-0.3706
114	M	A	1.1122
115	M	A	1.6256
116	P	A	1.2282
117	V	A	1.6819
118	P	A	0.0631
119	G	A	-1.0952
120	Q	A	-1.8329
121	H	A	-1.5675
122	S	A	-0.5165
123	M	A	0.6213
124	T	A	0.5827
125	P	A	0.6431
126	I	A	0.9931
127	Q	A	-0.8153
128	H	A	-1.9236
129	H	A	-2.3698
130	Q	A	-2.3401
131	P	A	-1.5579
132	N	A	-0.9804
133	L	A	0.7158
134	P	A	0.0284
135	P	A	-0.1737
136	P	A	-0.7665
137	A	A	-0.9502
138	Q	A	-1.8910
139	Q	A	-1.8062
140	P	A	-0.7295
141	Y	A	0.1654
142	Q	A	-1.1701
143	P	A	-0.9076
144	Q	A	-1.3532
145	P	A	-0.4971
146	V	A	0.5394
147	Q	A	-1.0460
148	P	A	-1.1924
149	Q	A	-1.9690
150	P	A	-1.8786
151	H	A	-1.9619
152	Q	A	-1.9814
153	P	A	-0.9723
154	M	A	-0.3451
155	Q	A	-1.4150
156	P	A	-1.2844
157	Q	A	-1.4074
158	P	A	-0.8901
159	P	A	-0.1642
160	V	A	1.0221
161	H	A	-0.2674
162	P	A	-0.1798
163	M	A	0.5092
164	Q	A	-0.6683
165	P	A	0.0604
166	L	A	0.8913
167	P	A	-0.2120
168	P	A	-0.6981
169	Q	A	-1.1021
170	P	A	-0.6957
171	P	A	-0.0627
172	L	A	1.1616
173	P	A	0.8374
174	P	A	1.0068
175	M	A	2.1862
176	F	A	2.3180
177	P	A	1.0589
178	M	A	1.2342
179	Q	A	-0.2001
180	P	A	0.0594
181	L	A	1.2422
182	P	A	0.7947
183	P	A	0.8994
184	M	A	1.5249
185	L	A	1.6390
186	P	A	0.3155
187	D	A	-0.3693
188	L	A	0.9541
189	T	A	0.3491
190	L	A	0.9446
191	E	A	-0.5194
192	A	A	0.1078
193	W	A	0.7543
194	P	A	-0.3313
195	S	A	-0.8171
196	T	A	-1.4468
197	D	A	-3.0214
198	K	A	-3.2220
199	T	A	-2.8322
200	K	A	-3.8683
201	R	A	-4.1483
202	E	A	-3.7448
203	E	A	-2.8791
204	V	A	-0.6210
205	D	A	-1.3680