Project name: 2901b4e27f2d417

Chain sequence(s)	A: CGKNSSETSGDNWSKYQSNKSITIGFDSTFVPMGFAQKDGSYAGFDIDLATAVFEKYGITVNWQPIDWDLKEAELTKGTIDLIWNGYSATDERREKVAFSNSYMKNEQVLVTKKSSGITTAKDMTGKTLGAQAGSSGYADFEANPEILKNIVANKEANQYQTFNEALIDLKNDRIDGLLIDRVYANYYLEAEGVLNDYNVFTVGLETEAFAVGARKEDTNLVKKINEAFSSLYKDGKFQEISQKWFGEDVATKEVKEGQ
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)

• Minimal score value: -4.3411
• Maximal score value: 0.3372
• Average score: -1.1037
• Total score value: -285.8639

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	C	A	-0.0379
2	G	A	-0.8697
3	K	A	-1.5826
4	N	A	-2.1487
5	S	A	-1.8940
6	S	A	0.0000
7	E	A	-2.7531
8	T	A	-2.0721
9	S	A	-1.5234
10	G	A	-1.7270
11	D	A	-2.1449
12	N	A	0.0000
13	W	A	-0.9998
14	S	A	-1.1779
15	K	A	-1.7066
16	Y	A	0.0000
17	Q	A	-1.9283
18	S	A	-1.7710
19	N	A	-2.5609
20	K	A	-2.7091
21	S	A	-1.7387
22	I	A	0.0000
23	T	A	0.0000
24	I	A	0.0000
25	G	A	0.0000
26	F	A	0.0000
27	D	A	0.0000
28	S	A	-0.0796
29	T	A	-0.1623
30	F	A	0.0000
31	V	A	0.3372
32	P	A	0.0000
33	M	A	0.0000
34	G	A	0.0000
35	F	A	0.0114
36	A	A	-0.8575
37	Q	A	-2.0835
38	K	A	-2.9822
39	D	A	-3.0152
40	G	A	-1.9930
41	S	A	-1.1389
42	Y	A	-0.2623
43	A	A	0.0456
44	G	A	0.0000
45	F	A	0.0000
46	D	A	0.0000
47	I	A	0.0000
48	D	A	-0.4737
49	L	A	0.0000
50	A	A	0.0000
51	T	A	-0.6696
52	A	A	0.0000
53	V	A	0.0000
54	F	A	0.0000
55	E	A	-2.2723
56	K	A	-1.7745
57	Y	A	-1.3987
58	G	A	-1.6286
59	I	A	0.0000
60	T	A	-1.2639
61	V	A	-0.8009
62	N	A	-1.0152
63	W	A	-0.4501
64	Q	A	-0.7900
65	P	A	-0.4738
66	I	A	-0.4459
67	D	A	-1.2357
68	W	A	0.0000
69	D	A	-1.0089
70	L	A	0.1568
71	K	A	0.0000
72	E	A	-0.6846
73	A	A	-0.7370
74	E	A	-0.9031
75	L	A	0.0000
76	T	A	-1.6047
77	K	A	-2.2308
78	G	A	0.0000
79	T	A	-1.2754
80	I	A	0.0000
81	D	A	0.0000
82	L	A	0.0000
83	I	A	0.0000
84	W	A	0.0000
85	N	A	0.0000
86	G	A	0.0000
87	Y	A	0.0000
88	S	A	0.0000
89	A	A	-1.0109
90	T	A	-2.0900
91	D	A	-3.7456
92	E	A	-3.8436
93	R	A	0.0000
94	R	A	-4.3132
95	E	A	-4.3411
96	K	A	-3.5134
97	V	A	0.0000
98	A	A	-1.6634
99	F	A	-0.6176
100	S	A	0.0000
101	N	A	-1.3569
102	S	A	-0.9390
103	Y	A	0.0000
104	M	A	0.0000
105	K	A	-2.0457
106	N	A	0.0000
107	E	A	-1.4474
108	Q	A	0.0000
109	V	A	0.0000
110	L	A	0.0000
111	V	A	0.0000
112	T	A	0.0000
113	K	A	-2.2694
114	K	A	-2.6209
115	S	A	-1.5234
116	S	A	-1.4345
117	G	A	-1.2887
118	I	A	0.0000
119	T	A	-0.8201
120	T	A	-0.8474
121	A	A	-0.9068
122	K	A	-1.8665
123	D	A	-1.6669
124	M	A	0.0000
125	T	A	-1.2792
126	G	A	-1.3585
127	K	A	-1.3541
128	T	A	-1.7348
129	L	A	0.0000
130	G	A	0.0000
131	A	A	0.0000
132	Q	A	0.0000
133	A	A	0.0000
134	G	A	-0.7392
135	S	A	0.0000
136	S	A	0.0000
137	G	A	0.0000
138	Y	A	-0.5172
139	A	A	-0.6409
140	D	A	-0.8698
141	F	A	0.0000
142	E	A	-1.6516
143	A	A	-0.9197
144	N	A	-1.4887
145	P	A	-2.0584
146	E	A	-2.1305
147	I	A	-1.0464
148	L	A	0.0000
149	K	A	-2.3160
150	N	A	-2.5624
151	I	A	-1.7041
152	V	A	0.0000
153	A	A	-1.9486
154	N	A	-2.6871
155	K	A	-3.3504
156	E	A	-2.8923
157	A	A	0.0000
158	N	A	-1.7793
159	Q	A	-2.0021
160	Y	A	-1.5861
161	Q	A	-1.9912
162	T	A	-1.3768
163	F	A	0.0000
164	N	A	-0.7941
165	E	A	-1.4038
166	A	A	0.0000
167	L	A	0.0000
168	I	A	-0.3290
169	D	A	-1.9105
170	L	A	0.0000
171	K	A	-2.8393
172	N	A	-3.1840
173	D	A	-3.7963
174	R	A	-3.4355
175	I	A	0.0000
176	D	A	-2.0969
177	G	A	0.0000
178	L	A	0.0000
179	L	A	0.0000
180	I	A	0.0000
181	D	A	0.0000
182	R	A	-1.3634
183	V	A	-0.5738
184	Y	A	0.0000
185	A	A	0.0000
186	N	A	-0.7175
187	Y	A	-0.5475
188	Y	A	-0.7682
189	L	A	0.0000
190	E	A	-2.2800
191	A	A	-1.5425
192	E	A	-2.1948
193	G	A	-1.9342
194	V	A	-1.3928
195	L	A	-1.3196
196	N	A	-2.2182
197	D	A	-2.5996
198	Y	A	-1.7108
199	N	A	-0.9704
200	V	A	-0.1884
201	F	A	0.1494
202	T	A	-0.4473
203	V	A	0.0000
204	G	A	-0.7917
205	L	A	0.0000
206	E	A	-2.1083
207	T	A	-1.5375
208	E	A	-1.2002
209	A	A	-1.0738
210	F	A	0.0000
211	A	A	0.0000
212	V	A	0.0000
213	G	A	0.0000
214	A	A	0.0000
215	R	A	0.0000
216	K	A	-2.8231
217	E	A	-2.2098
218	D	A	0.0000
219	T	A	-1.6801
220	N	A	-1.7469
221	L	A	0.0000
222	V	A	-1.6455
223	K	A	-2.7116
224	K	A	-2.3003
225	I	A	0.0000
226	N	A	-2.0702
227	E	A	-2.3304
228	A	A	0.0000
229	F	A	0.0000
230	S	A	-2.1509
231	S	A	-1.8443
232	L	A	0.0000
233	Y	A	-2.1594
234	K	A	-3.0705
235	D	A	-3.0619
236	G	A	-2.3547
237	K	A	-2.3183
238	F	A	0.0000
239	Q	A	-2.8521
240	E	A	-3.5038
241	I	A	0.0000
242	S	A	0.0000
243	Q	A	-3.4206
244	K	A	-3.0407
245	W	A	-1.5004
246	F	A	-1.1298
247	G	A	-2.4021
248	E	A	-3.0472
249	D	A	-2.2614
250	V	A	-1.3063
251	A	A	0.0000
252	T	A	0.0000
253	K	A	-3.3460
254	E	A	-3.1319
255	V	A	0.0000
256	K	A	-3.0715
257	E	A	-3.6565
258	G	A	-3.1645
259	Q	A	-2.7663