Project name: 157f75e6c4ff6a2

Chain sequence(s)	A: GKITLEDRGFQGRYECSSDPNLQPYLSRCNSARVDSGCWMLYEQPNYSGLQYFLRRGDYADQQWMGLSDSVRSCRLIPSGSRIRLYEREDYRGQMIEFTEDCSCLQDRFRFNEISLNVLEGSWVLYELSNYRGRQYLLMPGDYRRYQDWGATNARVGSLRRVIDFS
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                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:36)

• Minimal score value: -3.7031
• Maximal score value: 0.3392
• Average score: -1.1373
• Total score value: -188.7843

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	-1.3730
2	K	A	-1.9300
3	I	A	0.0000
4	T	A	-1.3058
5	L	A	0.0000
7	E	A	-1.9965
8	D	A	-2.6887
9	R	A	-2.7184
10	G	A	-1.8176
11	F	A	-1.5555
12	Q	A	-2.4270
13	G	A	-2.3172
14	R	A	-2.2300
16	Y	A	-0.1621
17	E	A	-1.4708
18	C	A	-1.3196
19	S	A	-1.6263
20	S	A	-1.6101
21	D	A	-2.1786
23	P	A	-1.8188
24	N	A	-1.6022
25	L	A	0.0000
26	Q	A	-0.8540
27	P	A	-0.1641
28	Y	A	0.3392
29	L	A	0.0000
30	S	A	-0.8857
31	R	A	-1.7606
32	C	A	0.0000
33	N	A	-2.0185
34	S	A	0.0000
35	A	A	0.0000
36	R	A	-2.3866
37	V	A	0.0000
38	D	A	-3.0212
39	S	A	-1.9839
40	G	A	-1.3031
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	-1.2710
47	Q	A	-1.6320
48	P	A	-1.6345
49	N	A	-1.8223
50	Y	A	-1.0994
51	S	A	-0.9373
52	G	A	-0.8420
53	L	A	-0.2197
54	Q	A	-0.2492
55	Y	A	0.0000
56	F	A	0.2021
57	L	A	0.0000
58	R	A	-1.4729
59	R	A	-2.4454
60	G	A	-2.0423
61	D	A	-2.7599
62	Y	A	-1.9539
63	A	A	-1.9538
64	D	A	-2.2614
66	Q	A	-1.8226
67	Q	A	-1.9244
68	W	A	0.0000
69	M	A	-0.4207
70	G	A	-0.6556
71	L	A	0.2115
72	S	A	-0.7463
73	D	A	-2.1607
74	S	A	0.0000
75	V	A	0.0000
76	R	A	-1.6060
77	S	A	0.0000
78	C	A	0.0000
79	R	A	-1.3988
80	L	A	-0.8464
81	I	A	0.0000
82	P	A	-0.3928
84	S	A	-0.8305
85	G	A	-0.8850
86	S	A	-1.2126
88	R	A	-2.0432
89	I	A	0.0000
90	R	A	-1.1200
91	L	A	0.0000
92	Y	A	-2.0022
93	E	A	-2.5510
94	R	A	-3.2575
95	E	A	-3.2194
96	D	A	-3.7031
97	Y	A	-2.7456
98	R	A	-3.3624
99	G	A	-2.5063
100	Q	A	-2.0264
101	M	A	-1.0628
102	I	A	-0.7149
103	E	A	-1.2370
104	F	A	0.0000
105	T	A	-1.8551
106	E	A	-2.5658
107	D	A	-1.6539
108	C	A	0.0000
109	S	A	-1.4031
110	C	A	-1.4036
111	L	A	0.0000
112	Q	A	-3.1933
113	D	A	-3.5426
114	R	A	-3.4039
115	F	A	0.0000
116	R	A	-3.1214
117	F	A	-2.2360
118	N	A	-2.1244
119	E	A	-2.7876
120	I	A	0.0000
122	S	A	0.0000
123	L	A	0.0000
124	N	A	-1.3605
125	V	A	0.0000
126	L	A	-0.6143
127	E	A	-1.4869
128	G	A	-0.9277
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	-1.1873
135	L	A	-0.4253
136	S	A	-0.8670
137	N	A	-1.3645
138	Y	A	-0.8227
139	R	A	-1.3434
140	G	A	-0.6679
141	R	A	-0.6556
142	Q	A	0.0000
143	Y	A	0.0000
144	L	A	0.2312
145	L	A	0.0000
146	M	A	-0.1924
147	P	A	-0.8438
148	G	A	-1.1598
149	D	A	-2.4810
150	Y	A	-2.3068
151	R	A	-3.4877
152	R	A	-3.0491
153	Y	A	-1.9464
154	Q	A	-2.1348
155	D	A	-2.0747
156	W	A	0.0000
157	G	A	-1.2283
158	A	A	0.0000
159	T	A	-0.8385
160	N	A	-1.3836
161	A	A	0.0000
162	R	A	-2.2582
163	V	A	0.0000
164	G	A	0.0000
165	S	A	0.0000
166	L	A	0.0000
167	R	A	-0.9631
168	R	A	-1.4293
169	V	A	-0.1408
170	I	A	0.0353
171	D	A	-1.2291
172	F	A	0.0408
173	S	A	-0.1061