Project name: 6bc320e599b5684

Chain sequence(s)	A: GKITLYEDRGFQGRHYECSSDHPNLQPYLSRCDSARVDSGCWMLYEQPNYSGLQYFLRRGDYADHQQWMGLSDSVRSCRLIPHSGSHRIRLYEREDYRGQMIEFTEDCSCLQDRFRFNEIHSLNVLEGSWVLYELSNYRGRQYLLMPGDYRRYQDWGATNARVGSLRRVIDFS
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                                          (00:02:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:11)

• Minimal score value: -4.2051
• Maximal score value: 1.0192
• Average score: -1.2402
• Total score value: -214.5602

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	G	A	-2.2364
2	K	A	-3.2454
3	I	A	0.0000
4	T	A	-1.7223
5	L	A	0.0000
6	Y	A	-2.3071
7	E	A	-2.5833
8	D	A	-2.9986
9	R	A	-3.0710
10	G	A	-1.8189
11	F	A	-1.7174
12	Q	A	-2.6446
13	G	A	-2.7741
14	R	A	-2.9201
15	H	A	-2.4895
16	Y	A	-1.4028
17	E	A	-2.3833
18	C	A	0.0000
19	S	A	-2.1255
20	S	A	-1.8400
21	D	A	-2.2029
22	H	A	-1.7333
23	P	A	-1.7355
24	N	A	-1.6749
25	L	A	0.0000
26	Q	A	-1.6113
27	P	A	-0.6317
28	Y	A	-0.4497
29	L	A	0.0000
30	S	A	-1.2852
31	R	A	-2.3469
32	C	A	0.0000
33	D	A	-2.3891
34	S	A	0.0000
35	A	A	0.0000
36	R	A	-2.3928
37	V	A	0.0000
38	D	A	-3.2304
39	S	A	-2.0411
40	G	A	0.0000
41	C	A	0.0000
42	W	A	0.0000
43	M	A	0.0000
44	L	A	0.0000
45	Y	A	0.0000
46	E	A	-1.3944
47	Q	A	-2.1417
48	P	A	-1.8059
49	N	A	-2.0130
50	Y	A	-1.2128
51	S	A	-1.0944
52	G	A	-1.0016
53	L	A	-0.3263
54	Q	A	-0.2379
55	Y	A	0.0000
56	F	A	0.0722
57	L	A	0.0000
58	R	A	-1.3500
59	R	A	-2.1805
60	G	A	-1.9674
61	D	A	-2.7582
62	Y	A	-2.1412
63	A	A	-2.0248
64	D	A	-2.3808
65	H	A	-1.9051
66	Q	A	-1.8706
67	Q	A	-2.2069
68	W	A	0.0000
69	M	A	-0.6392
70	G	A	-0.3296
71	L	A	0.8288
72	S	A	-0.5837
73	D	A	-1.9167
74	S	A	-1.4483
75	V	A	0.0000
76	R	A	-1.8891
77	S	A	0.0000
78	C	A	0.0000
79	R	A	-1.4090
80	L	A	-1.1680
81	I	A	0.0000
82	P	A	-0.7449
83	H	A	-1.1846
84	S	A	-1.1489
85	G	A	-1.1695
86	S	A	-1.3853
87	H	A	0.0000
88	R	A	-2.5225
89	I	A	0.0000
90	R	A	-1.3514
91	L	A	0.0000
92	Y	A	0.0000
93	E	A	-1.9689
94	R	A	-2.7403
95	E	A	-2.8868
96	D	A	-3.6119
97	Y	A	-2.7719
98	R	A	-2.8888
99	G	A	-2.1291
100	Q	A	-1.5122
101	M	A	-0.8489
102	I	A	-0.7583
103	E	A	-1.0661
104	F	A	0.0000
105	T	A	-1.6559
106	E	A	-1.6018
107	D	A	-1.5777
108	C	A	0.0000
109	S	A	-1.4457
110	C	A	-1.2899
111	L	A	0.0000
112	Q	A	-2.8604
113	D	A	-3.3242
114	R	A	-3.1992
115	F	A	0.0000
116	R	A	-2.8696
117	F	A	-1.6678
118	N	A	-2.0205
119	E	A	-2.2290
120	I	A	0.0000
121	H	A	-2.6933
122	S	A	0.0000
123	L	A	0.0000
124	N	A	-1.9493
125	V	A	0.0000
126	L	A	-1.3251
127	E	A	-2.1473
128	G	A	0.0000
129	S	A	0.0000
130	W	A	0.0000
131	V	A	0.0000
132	L	A	0.0000
133	Y	A	0.0000
134	E	A	0.0000
135	L	A	-0.7840
136	S	A	-1.0035
137	N	A	-1.5384
138	Y	A	-1.2204
139	R	A	-1.8183
140	G	A	-1.3130
141	R	A	-1.4515
142	Q	A	0.0000
143	Y	A	-0.1397
144	L	A	0.0000
145	L	A	0.0000
146	M	A	-0.3886
147	P	A	-1.1424
148	G	A	-1.3272
149	D	A	-2.9495
150	Y	A	-3.0640
151	R	A	-4.2051
152	R	A	-3.9768
153	Y	A	-2.5293
154	Q	A	-2.9790
155	D	A	-3.4797
156	W	A	0.0000
157	G	A	-1.7416
158	A	A	-1.4084
159	T	A	-0.8795
160	N	A	-1.3587
161	A	A	0.0000
162	R	A	-1.6323
163	V	A	0.0000
164	G	A	0.0000
165	S	A	0.0000
166	L	A	0.0000
167	R	A	-1.2937
168	R	A	-1.2946
169	V	A	0.0000
170	I	A	0.4463
171	D	A	0.0169
172	F	A	1.0192
173	S	A	-0.0752