Project name: Snapf

Chain sequence(s)	A: MDKDCEMKRTTLDSPLGKLELSGCEQGLHRIIFLGKGTSAADAVEVPAPAAVLGGPEPLMQATAWLNAYFHQPEAIEEFPVPALHHPVFQQESFTRQVLWKLLKVVKFGEVISYSHLAALAGNPAATAAVKTALSGNPVPILIPCHRVVQGDLDVGGYEGGLAVKEWLLAHEGHRLGKPGLG
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                                          (00:02:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:41)

• Minimal score value: -3.1541
• Maximal score value: 1.4774
• Average score: -0.7151
• Total score value: -130.1438

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	-0.4019
2	D	A	-2.1862
3	K	A	-3.0209
4	D	A	-3.1541
5	C	A	-2.8074
6	E	A	-3.0027
7	M	A	-1.5473
8	K	A	-1.8407
9	R	A	-1.2930
10	T	A	-0.2763
11	T	A	-0.4434
12	L	A	-1.0850
13	D	A	-2.3008
14	S	A	0.0000
15	P	A	-0.8748
16	L	A	0.0000
17	G	A	-1.4493
18	K	A	-1.9165
19	L	A	0.0000
20	E	A	0.0000
21	L	A	0.0000
22	S	A	-0.7621
23	G	A	0.0000
24	C	A	0.0000
25	E	A	-2.9302
26	Q	A	-1.9034
27	G	A	0.0000
28	L	A	0.0000
29	H	A	0.0000
30	R	A	-0.8925
31	I	A	0.0000
32	I	A	0.0949
33	F	A	-0.4887
34	L	A	-0.4834
35	G	A	-1.4225
36	K	A	-2.2504
37	G	A	-1.5742
38	T	A	-1.1861
39	S	A	-1.0207
40	A	A	-0.5408
41	A	A	-0.7556
42	D	A	-1.8323
43	A	A	-0.8993
44	V	A	-0.4574
45	E	A	-1.3391
46	V	A	0.0794
47	P	A	-0.3645
48	A	A	-0.1699
49	P	A	-0.0404
50	A	A	0.0560
51	A	A	0.7993
52	V	A	1.2764
53	L	A	1.4774
54	G	A	0.3314
55	G	A	-0.5808
56	P	A	0.0000
57	E	A	-2.0314
58	P	A	0.0000
59	L	A	0.0000
60	M	A	0.1400
61	Q	A	-0.0103
62	A	A	0.0000
63	T	A	-0.2624
64	A	A	0.0721
65	W	A	0.0000
66	L	A	0.0000
67	N	A	-1.2148
68	A	A	0.0000
69	Y	A	0.0000
70	F	A	0.0000
71	H	A	-1.7853
72	Q	A	-2.1956
73	P	A	-2.2178
74	E	A	-2.8689
75	A	A	-2.3638
76	I	A	0.0000
77	E	A	-2.6962
78	E	A	-2.5966
79	F	A	-0.7594
80	P	A	-0.1474
81	V	A	0.7489
82	P	A	0.0000
83	A	A	-0.2740
84	L	A	-0.2205
85	H	A	-0.6893
86	H	A	-0.4431
87	P	A	-0.3522
88	V	A	-0.8156
89	F	A	0.0000
90	Q	A	-1.5195
91	Q	A	-2.2974
92	E	A	-2.5540
93	S	A	-1.2966
94	F	A	-0.5605
95	T	A	-0.6773
96	R	A	-1.1045
97	Q	A	-0.7683
98	V	A	0.0000
99	L	A	0.0000
100	W	A	-0.3253
101	K	A	-0.6613
102	L	A	0.0000
103	L	A	-0.5811
104	K	A	-1.3677
105	V	A	-0.3531
106	V	A	0.0000
107	K	A	-1.8148
108	F	A	-1.0043
109	G	A	-1.3063
110	E	A	-1.2921
111	V	A	0.0000
112	I	A	0.0000
113	S	A	0.0000
114	Y	A	0.0000
115	S	A	-0.5675
116	H	A	-0.3619
117	L	A	0.0000
118	A	A	0.0000
119	A	A	-0.5904
120	L	A	-0.1327
121	A	A	-0.6231
122	G	A	-1.0483
123	N	A	-1.4974
124	P	A	-0.9528
125	A	A	-0.5650
126	A	A	-0.6584
127	T	A	-0.7463
128	A	A	-0.4667
129	A	A	-0.5434
130	V	A	0.0000
131	K	A	-1.6200
132	T	A	-0.9311
133	A	A	0.0000
134	L	A	0.0000
135	S	A	-1.2172
136	G	A	-0.9081
137	N	A	0.0000
138	P	A	0.0000
139	V	A	0.0000
140	P	A	0.0000
141	I	A	0.0000
142	L	A	0.0000
143	I	A	0.0000
144	P	A	0.0000
145	C	A	0.0000
146	H	A	0.0000
147	R	A	0.0000
148	V	A	0.0000
149	V	A	0.0000
150	Q	A	-1.7025
151	G	A	-1.5667
152	D	A	-2.1457
153	L	A	-1.0744
154	D	A	-1.7368
155	V	A	-0.7500
156	G	A	-0.8358
157	G	A	-0.8673
158	Y	A	-0.6155
159	E	A	-1.0953
160	G	A	-0.6823
161	G	A	-0.2917
162	L	A	1.0234
163	A	A	0.5019
164	V	A	0.0000
165	K	A	0.0000
166	E	A	-0.5857
167	W	A	-0.0170
168	L	A	0.0000
169	L	A	0.0000
170	A	A	-0.8451
171	H	A	-0.6217
172	E	A	0.0000
173	G	A	-1.1315
174	H	A	-1.8568
175	R	A	-2.4690
176	L	A	-1.6550
177	G	A	-1.6036
178	K	A	-2.4878
179	P	A	-1.7576
180	G	A	-1.2811
181	L	A	-0.1158
182	G	A	-0.5996