Project name: b3646424cb6bc82

Chain sequence(s)	A: MAVPASPQHPRGYGILLLTLLLKALATTASACNHLRPQDATFSHDSLQLLRDMAPTLPQLCPQHNASCSFNDTILDTSNTRQADKTTHDILQHLFKILSSPSTPAHWNDSQRQSLLNRIHRYTQHLEQCLDSSDTRSRTRWPRNLHLTIKKHFSCLHTFLQDNDYSACAWEHVRLQARAWFLHIHNLTGNTRT
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                                          (00:02:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:47)

• Minimal score value: -3.3437
• Maximal score value: 3.937
• Average score: -0.7365
• Total score value: -142.1456

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	1.4918
2	A	A	1.3651
3	V	A	1.9270
4	P	A	0.6781
5	A	A	0.0654
6	S	A	-0.5828
7	P	A	-1.2794
8	Q	A	-2.2001
9	H	A	-2.1997
10	P	A	-1.7052
11	R	A	-1.8563
12	G	A	-0.1084
13	Y	A	1.4760
14	G	A	1.2901
15	I	A	2.9584
16	L	A	3.5663
17	L	A	3.5545
18	L	A	3.9370
19	T	A	3.0750
20	L	A	3.1162
21	L	A	3.6214
22	L	A	2.9117
23	K	A	0.6229
24	A	A	1.3674
25	L	A	2.0912
26	A	A	0.9189
27	T	A	0.3249
28	T	A	-0.3184
29	A	A	-0.0314
30	S	A	-0.5088
31	A	A	-1.0858
32	C	A	-1.2542
33	N	A	-1.9339
34	H	A	-1.9985
35	L	A	0.0000
36	R	A	-1.6661
37	P	A	-1.2675
38	Q	A	-1.3456
39	D	A	0.0000
40	A	A	-0.8914
41	T	A	-0.8278
42	F	A	0.0000
43	S	A	0.0000
44	H	A	-1.1537
45	D	A	-1.1464
46	S	A	0.0000
47	L	A	-1.2501
48	Q	A	-1.6250
49	L	A	-1.4116
50	L	A	0.0000
51	R	A	-2.4081
52	D	A	-1.6715
53	M	A	0.0000
54	A	A	0.0000
55	P	A	-0.8116
56	T	A	-0.3452
57	L	A	0.7120
58	P	A	0.2863
59	Q	A	-0.1785
60	L	A	0.9818
61	C	A	0.2947
62	P	A	-0.6065
63	Q	A	-1.5775
64	H	A	-1.5136
65	N	A	-1.7956
66	A	A	-0.8166
67	S	A	-0.5933
68	C	A	-0.4402
69	S	A	-0.5978
70	F	A	-0.8190
71	N	A	-1.4828
72	D	A	-1.6849
73	T	A	-1.0523
74	I	A	-0.5151
75	L	A	0.0000
76	D	A	-2.2090
77	T	A	-1.4492
78	S	A	-1.4890
79	N	A	-1.2818
80	T	A	-1.1667
81	R	A	-1.0422
82	Q	A	0.0000
83	A	A	0.0000
84	D	A	-0.7236
85	K	A	-0.6806
86	T	A	0.0000
87	T	A	0.0000
88	H	A	-0.8640
89	D	A	0.0000
90	I	A	0.0000
91	L	A	0.0000
92	Q	A	-1.1814
93	H	A	0.0000
94	L	A	0.0000
95	F	A	-0.9806
96	K	A	-1.7281
97	I	A	0.0000
98	L	A	0.0000
99	S	A	-0.8335
100	S	A	-0.5853
101	P	A	-0.3656
102	S	A	-0.3801
103	T	A	-0.2957
104	P	A	-0.3234
105	A	A	-0.4398
106	H	A	-0.6417
107	W	A	0.0000
108	N	A	-1.8838
109	D	A	-2.1278
110	S	A	-1.6134
111	Q	A	-1.8904
112	R	A	-1.9982
113	Q	A	-2.0909
114	S	A	-1.4682
115	L	A	0.0000
116	L	A	-1.4880
117	N	A	-1.9926
118	R	A	-2.0173
119	I	A	0.0000
120	H	A	-2.5005
121	R	A	-3.1743
122	Y	A	0.0000
123	T	A	-2.3678
124	Q	A	-3.0185
125	H	A	-2.6564
126	L	A	0.0000
127	E	A	-2.4829
128	Q	A	-2.6217
129	C	A	-1.8654
130	L	A	-1.9463
131	D	A	-2.6105
132	S	A	-1.7014
133	S	A	-1.8933
134	D	A	-2.8572
135	T	A	-2.5561
136	R	A	-3.0525
137	S	A	-2.7004
138	R	A	-3.3437
139	T	A	-2.2639
140	R	A	-2.7387
141	W	A	-1.9218
142	P	A	-1.6735
143	R	A	-2.5314
144	N	A	-1.8464
145	L	A	0.0000
146	H	A	-1.1427
147	L	A	-0.7842
148	T	A	-1.1790
149	I	A	0.0000
150	K	A	-1.8470
151	K	A	-1.9904
152	H	A	0.0000
153	F	A	0.0000
154	S	A	-1.1236
155	C	A	-0.8083
156	L	A	0.0000
157	H	A	-1.1303
158	T	A	-1.3375
159	F	A	0.0000
160	L	A	0.0000
161	Q	A	-2.7630
162	D	A	-3.0484
163	N	A	-2.2644
164	D	A	-2.6786
165	Y	A	-1.2584
166	S	A	-0.8766
167	A	A	-0.0798
168	C	A	-0.0653
169	A	A	0.0000
170	W	A	0.0000
171	E	A	0.0000
172	H	A	-0.2878
173	V	A	0.0000
174	R	A	-0.5574
175	L	A	-0.1411
176	Q	A	-0.3209
177	A	A	0.0000
178	R	A	-1.5722
179	A	A	-0.5763
180	W	A	0.0000
181	F	A	0.0000
182	L	A	-0.4581
183	H	A	-1.0784
184	I	A	0.0000
185	H	A	-1.1533
186	N	A	-1.9540
187	L	A	0.0000
188	T	A	0.0000
189	G	A	-1.8486
190	N	A	-2.5493
191	T	A	-2.1818
192	R	A	-2.3487
193	T	A	-1.2596