Project name: 2ZE6_analysis

Chain sequence(s)	A: MLLHLIYGPTCSGKTDMAIQIAQETGWPVVALDRVQCCPQIATGSGRPLESELQSTRRIYLDSRPLTEGILDAESAHRRLIFEVDWRKSEEGLILEGGSISLLNCMAKSPFWRSGFQWHVKRLRLGDSDAFLTRAKQRVAEMFAIREDRPSLLEELAELWNYPAARPILEDIDGYRCAIRFARKHDLAISQLPNIDAGRHVELIEAIANEYLEHALSQERDFPQWPE
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                                          (00:03:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:19)

• Minimal score value: -3.9373
• Maximal score value: 0.9913
• Average score: -1.0375
• Total score value: -235.5097

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	-1.4645
2	L	A	-1.0957
3	L	A	0.0000
4	H	A	-0.5402
5	L	A	0.0000
6	I	A	0.0000
7	Y	A	0.0000
8	G	A	0.0000
9	P	A	0.0000
10	T	A	-0.2184
11	C	A	-0.5909
12	S	A	-0.9482
13	G	A	-1.0958
14	K	A	-0.9769
15	T	A	-1.4103
16	D	A	-2.3562
17	M	A	-1.1781
18	A	A	0.0000
19	I	A	0.0000
20	Q	A	-2.5267
21	I	A	-1.5477
22	A	A	0.0000
23	Q	A	-3.0296
24	E	A	-2.7258
25	T	A	-1.7855
26	G	A	-1.9183
27	W	A	0.0000
28	P	A	0.0000
29	V	A	0.0000
30	V	A	0.0000
31	A	A	0.0000
32	L	A	0.0000
33	D	A	-0.4133
34	R	A	-0.6180
35	V	A	-0.1750
36	Q	A	0.0000
37	C	A	0.0000
38	C	A	0.0000
39	P	A	-0.6642
40	Q	A	-1.2286
41	I	A	0.0000
42	A	A	-0.4023
43	T	A	0.0000
44	G	A	0.0000
45	S	A	-0.3289
46	G	A	0.0000
47	R	A	-0.7369
48	P	A	-1.2254
49	L	A	-1.7028
50	E	A	-3.0142
51	S	A	-2.2265
52	E	A	-2.6734
53	L	A	0.0000
54	Q	A	-2.7474
55	S	A	-2.0758
56	T	A	-2.5288
57	R	A	-2.4485
58	R	A	-1.1446
59	I	A	-0.1939
60	Y	A	-0.2226
61	L	A	0.0000
62	D	A	-0.5284
63	S	A	-0.6099
64	R	A	-1.0080
65	P	A	-1.1005
66	L	A	0.0000
67	T	A	-0.8534
68	E	A	-1.8592
69	G	A	-0.9861
70	I	A	-0.6871
71	L	A	0.0000
72	D	A	-1.9057
73	A	A	-2.0080
74	E	A	-2.8691
75	S	A	-2.2728
76	A	A	0.0000
77	H	A	0.0000
78	R	A	-2.1061
79	R	A	-1.2632
80	L	A	0.0000
81	I	A	0.2534
82	F	A	0.9913
83	E	A	0.1385
84	V	A	0.0000
85	D	A	-0.2460
86	W	A	0.4399
87	R	A	-1.0833
88	K	A	-1.8722
89	S	A	-1.8865
90	E	A	-2.7739
91	E	A	-2.7879
92	G	A	0.0000
93	L	A	0.0000
94	I	A	0.0000
95	L	A	0.0000
96	E	A	0.0000
97	G	A	0.0000
98	G	A	-0.1451
99	S	A	-0.1268
100	I	A	-0.6100
101	S	A	-0.8621
102	L	A	0.0000
103	L	A	0.0000
104	N	A	-1.3142
105	C	A	0.0000
106	M	A	0.0000
107	A	A	-1.3746
108	K	A	-2.0198
109	S	A	-1.2050
110	P	A	-1.1596
111	F	A	-0.6381
112	W	A	0.0000
113	R	A	-2.1764
114	S	A	-1.3881
115	G	A	-0.9176
116	F	A	-0.8013
117	Q	A	-1.1162
118	W	A	-1.0200
119	H	A	-1.3877
120	V	A	-1.2551
121	K	A	-1.5887
122	R	A	-1.3816
123	L	A	-1.1133
124	R	A	-2.1391
125	L	A	-1.1878
126	G	A	-1.9260
127	D	A	-2.7102
128	S	A	-1.8694
129	D	A	-2.4871
130	A	A	-1.6635
131	F	A	0.0000
132	L	A	-1.8844
133	T	A	-1.6299
134	R	A	-1.9420
135	A	A	0.0000
136	K	A	-2.2665
137	Q	A	-2.8229
138	R	A	-2.4724
139	V	A	0.0000
140	A	A	-1.6614
141	E	A	-2.3448
142	M	A	0.0000
143	F	A	0.0000
144	A	A	-0.0530
145	I	A	0.5609
146	R	A	-1.5483
147	E	A	-2.7394
148	D	A	-3.0419
149	R	A	-1.8358
150	P	A	-1.2374
151	S	A	0.0000
152	L	A	0.0000
153	L	A	0.0000
154	E	A	-1.2033
155	E	A	0.0000
156	L	A	0.0000
157	A	A	-1.4744
158	E	A	-2.2667
159	L	A	0.0000
160	W	A	-0.9704
161	N	A	-1.2458
162	Y	A	0.2065
163	P	A	-0.1252
164	A	A	-0.3091
165	A	A	0.0000
166	R	A	-1.3213
167	P	A	-1.3733
168	I	A	-1.2712
169	L	A	0.0000
170	E	A	-2.9341
171	D	A	-2.7407
172	I	A	0.0000
173	D	A	-1.7695
174	G	A	0.0000
175	Y	A	0.0000
176	R	A	-2.8156
177	C	A	0.0000
178	A	A	0.0000
179	I	A	0.0000
180	R	A	-3.5699
181	F	A	0.0000
182	A	A	0.0000
183	R	A	-3.9373
184	K	A	-3.7274
185	H	A	-2.8308
186	D	A	-3.1610
187	L	A	-2.0049
188	A	A	-1.1139
189	I	A	0.0000
190	S	A	-1.4851
191	Q	A	-1.6713
192	L	A	0.0000
193	P	A	-1.2498
194	N	A	-2.1378
195	I	A	-1.6776
196	D	A	-2.2017
197	A	A	-1.3209
198	G	A	-1.2033
199	R	A	-2.0015
200	H	A	-1.2594
201	V	A	-0.2663
202	E	A	-1.8243
203	L	A	0.0000
204	I	A	-1.2728
205	E	A	-2.0002
206	A	A	-1.4821
207	I	A	0.0000
208	A	A	0.0000
209	N	A	-1.8957
210	E	A	-1.7622
211	Y	A	0.0000
212	L	A	-1.2207
213	E	A	-2.1213
214	H	A	-1.5265
215	A	A	0.0000
216	L	A	-0.9120
217	S	A	-1.4999
218	Q	A	0.0000
219	E	A	-1.9117
220	R	A	-2.7129
221	D	A	-2.8336
222	F	A	0.0000
223	P	A	0.0000
224	Q	A	-1.7610
225	W	A	-1.1857
226	P	A	-1.2998
227	E	A	-2.2856