Project name: design5

Chain sequence(s)	A: SSRRTNQALQDAALRAGDCYEANLARLAARAEAAGDTELAAKLREALDLAQKGKEARLAGDYDRAIELVDKSQEILLEVYRLANRPEEILAAAQAVIDARKNGGALEYHRALVEFVSQLNTDWPPELRARTVEALQEQIAVL
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                                          (00:04:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:14)

• Minimal score value: -3.849
• Maximal score value: 1.5946
• Average score: -1.3773
• Total score value: -195.5756

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	S	A	-1.0658
2	S	A	-1.6222
3	R	A	-2.3290
4	R	A	-2.7222
5	T	A	-1.7251
6	N	A	-1.8366
7	Q	A	-1.9980
8	A	A	-0.9666
9	L	A	-0.8590
10	Q	A	-1.3720
11	D	A	-1.5220
12	A	A	0.0000
13	A	A	-1.5488
14	L	A	-1.7094
15	R	A	-3.3862
16	A	A	-2.7156
17	G	A	-1.9811
18	D	A	-2.9724
19	C	A	0.0000
20	Y	A	-1.0214
21	E	A	-1.6035
22	A	A	-1.0174
23	N	A	0.0000
24	L	A	0.0000
25	A	A	-1.2549
26	R	A	-2.1319
27	L	A	0.0000
28	A	A	0.0000
29	A	A	-2.1031
30	R	A	-2.7922
31	A	A	0.0000
32	E	A	-3.1800
33	A	A	-1.7100
34	A	A	-1.4570
35	G	A	-1.9509
36	D	A	-2.3788
37	T	A	-2.0012
38	E	A	-2.2542
39	L	A	-1.8898
40	A	A	0.0000
41	A	A	-1.8765
42	K	A	-1.8862
43	L	A	0.0000
44	R	A	-2.3358
45	E	A	-2.8598
46	A	A	0.0000
47	L	A	-1.8611
48	D	A	-2.6868
49	L	A	-2.2476
50	A	A	-2.2353
51	Q	A	-2.7169
52	K	A	-2.6534
53	G	A	0.0000
54	K	A	-2.7579
55	E	A	-2.6242
56	A	A	0.0000
57	R	A	-1.5683
58	L	A	0.2006
59	A	A	-0.3579
60	G	A	-1.0040
61	D	A	-2.1864
62	Y	A	-2.4491
63	D	A	-3.4501
64	R	A	-3.8490
65	A	A	0.0000
66	I	A	-1.9700
67	E	A	-2.7870
68	L	A	0.0000
69	V	A	-1.0881
70	D	A	-1.7138
71	K	A	-1.6821
72	S	A	0.0000
73	Q	A	0.0000
74	E	A	-1.5089
75	I	A	-1.4540
76	L	A	0.0000
77	L	A	-1.1033
78	E	A	-1.5850
79	V	A	0.0000
80	Y	A	0.0000
81	R	A	-2.2134
82	L	A	-0.8127
83	A	A	-1.1993
84	N	A	-2.0570
85	R	A	-1.9608
86	P	A	-2.2530
87	E	A	-3.0427
88	E	A	-2.7268
89	I	A	0.0000
90	L	A	-1.7222
91	A	A	-1.3401
92	A	A	-1.0893
93	A	A	0.0000
94	Q	A	-0.9998
95	A	A	-1.1171
96	V	A	0.0000
97	I	A	0.0000
98	D	A	-2.7733
99	A	A	-2.3031
100	R	A	-2.5655
101	K	A	-3.3767
102	N	A	-3.0227
103	G	A	-2.1730
104	G	A	-1.4224
105	A	A	-0.2566
106	L	A	0.5876
107	E	A	-1.3111
108	Y	A	-1.1273
109	H	A	-0.8288
110	R	A	-1.1964
111	A	A	-0.9821
112	L	A	-0.5442
113	V	A	-1.3064
114	E	A	-1.6786
115	F	A	0.0000
116	V	A	0.0000
117	S	A	-1.2382
118	Q	A	-1.7558
119	L	A	-1.0943
120	N	A	0.0000
121	T	A	-0.4503
122	D	A	-0.5197
123	W	A	0.0000
124	P	A	-1.1197
125	P	A	-1.7828
126	E	A	-2.6845
127	L	A	0.0000
128	R	A	-2.4935
129	A	A	-2.3528
130	R	A	-3.7373
131	T	A	0.0000
132	V	A	-2.1815
133	E	A	-3.4662
134	A	A	0.0000
135	L	A	0.0000
136	Q	A	-2.3526
137	E	A	-2.5774
138	Q	A	0.0000
139	I	A	-0.1111
140	A	A	0.1479
141	V	A	0.7906
142	L	A	1.5946