Project name: 4_3

Chain sequence(s)	A: MGSHHHHHHMKKDDQIAAAIALRGMAKDGKFAVKGGGGSEAAAKGGGGSQNKNDQIAAAIVLRGLAKGGKFANAGGGGSEAAAKGGGGSKKKNDQIAAALVLRGVAKSGKFAGAGGGGSEAAAKGGGGSITRNDEIAAAIVLRGMAKGGRFFASGGG
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             (00:00:01)
[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                                          (00:03:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:51)

• Minimal score value: -4.5224
• Maximal score value: 2.8467
• Average score: -1.1376
• Total score value: -178.5992

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	0.5882
2	G	A	-0.9232
3	S	A	-1.1349
4	H	A	-2.3416
5	H	A	-2.8043
6	H	A	-3.1573
7	H	A	-3.0935
8	H	A	-3.6075
9	H	A	-3.6681
10	M	A	-2.7020
11	K	A	-3.4452
12	K	A	-3.8344
13	D	A	-3.3197
14	D	A	-2.5888
15	Q	A	-1.4518
16	I	A	-0.0853
17	A	A	-0.0024
18	A	A	0.0000
19	A	A	0.7837
20	I	A	1.5003
21	A	A	0.8076
22	L	A	0.0000
23	R	A	-1.7954
24	G	A	-1.1407
25	M	A	-1.5731
26	A	A	0.0000
27	K	A	-3.9056
28	D	A	-3.9858
29	G	A	0.0000
30	K	A	-2.6414
31	F	A	-0.8543
32	A	A	-0.8267
33	V	A	-0.5727
34	K	A	-2.0645
35	G	A	-1.7585
36	G	A	-1.4406
37	G	A	0.0000
38	G	A	-1.0912
39	S	A	-0.8418
40	E	A	0.0000
41	A	A	-1.0474
42	A	A	-0.8579
43	A	A	-1.3280
44	K	A	-2.0514
45	G	A	-1.3873
46	G	A	-1.4973
47	G	A	-1.5321
48	G	A	0.0000
49	S	A	-1.8081
50	Q	A	-3.5636
51	N	A	-3.9071
52	K	A	-4.5224
53	N	A	-3.1672
54	D	A	-2.4635
55	Q	A	0.0000
56	I	A	-0.3168
57	A	A	0.6831
58	A	A	0.0000
59	A	A	0.0000
60	I	A	2.8467
61	V	A	2.5080
62	L	A	0.0000
63	R	A	0.3701
64	G	A	-0.0749
65	L	A	-0.5138
66	A	A	0.0000
67	K	A	-2.3365
68	G	A	-2.0588
69	G	A	-1.2863
70	K	A	-1.8070
71	F	A	-0.6693
72	A	A	-0.9006
73	N	A	-1.0280
74	A	A	-1.2583
75	G	A	-1.5357
76	G	A	-1.3153
77	G	A	-1.1783
78	G	A	-1.3249
79	S	A	-1.6172
80	E	A	-2.3585
81	A	A	-1.3636
82	A	A	0.0000
83	A	A	-1.7196
84	K	A	-2.3474
85	G	A	0.0000
86	G	A	0.0000
87	G	A	-1.7145
88	G	A	-2.1457
89	S	A	-2.6640
90	K	A	-3.3601
91	K	A	-3.3288
92	K	A	-2.7480
93	N	A	0.0000
94	D	A	-2.5283
95	Q	A	-1.8861
96	I	A	0.0000
97	A	A	0.0000
98	A	A	0.1178
99	A	A	0.0000
100	L	A	0.0000
101	V	A	2.4235
102	L	A	1.8871
103	R	A	0.8000
104	G	A	0.9203
105	V	A	1.7094
106	A	A	0.1428
107	K	A	-1.8695
108	S	A	-1.7312
109	G	A	-1.7759
110	K	A	-2.1833
111	F	A	-0.8085
112	A	A	-1.0303
113	G	A	-0.8544
114	A	A	0.0000
115	G	A	-1.1523
116	G	A	-1.4517
117	G	A	-1.4591
118	G	A	-1.5288
119	S	A	-1.5191
120	E	A	-2.6541
121	A	A	-1.8825
122	A	A	-1.5351
123	A	A	-1.8443
124	K	A	-2.2117
125	G	A	-1.7754
126	G	A	-1.5574
127	G	A	-1.9143
128	G	A	-1.4632
129	S	A	-0.8385
130	I	A	-0.3783
131	T	A	-1.0099
132	R	A	-2.5295
133	N	A	-2.4969
134	D	A	-1.7475
135	E	A	0.0000
136	I	A	-0.8410
137	A	A	0.0000
138	A	A	0.0000
139	A	A	0.0000
140	I	A	0.0247
141	V	A	0.0000
142	L	A	0.0603
143	R	A	-0.8341
144	G	A	0.0000
145	M	A	0.0000
146	A	A	-1.3664
147	K	A	-2.2523
148	G	A	-1.6396
149	G	A	-1.1092
150	R	A	-1.3627
151	F	A	-0.0007
152	F	A	-0.0200
153	A	A	-0.5408
154	S	A	-1.0183
155	G	A	-1.4646
156	G	A	-1.0399
157	G	A	-0.9086