Project name: 940fe3652efad

Chain sequence(s)	C: KRQVSGDEAYLEAAPLAELHAPAGMILPVTSGDYAIPVTNGSGAVGKALDIRPPAQPLALVSGARTQFTGDTASLLVENGRGNTLWPQVVSVLQAKNYTITQRDDAGQTLTTDWVQWNRLDEDEQYRGRYQISVKPQGYQQAVTVKLLNLEQAGKPVADAASMQRYSTEMMNVISAGLD
Selected Chain(s)	C
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 C 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                                          (00:00:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -3.5938
• Maximal score value: 2.7881
• Average score: -0.2857
• Total score value: -51.1407

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
8	K	C	-2.5351
9	R	C	-2.0362
10	Q	C	-1.1154
11	V	C	-0.7976
12	S	C	-1.2139
13	G	C	-1.6461
14	D	C	-2.5282
15	E	C	-2.1746
16	A	C	-1.0004
17	Y	C	0.2834
18	L	C	0.2034
19	E	C	-1.2403
20	A	C	-0.0747
21	A	C	0.2025
22	P	C	0.1308
23	L	C	1.2741
24	A	C	0.2021
25	E	C	-0.9307
26	L	C	0.2452
27	H	C	-0.2272
28	A	C	0.6741
29	P	C	0.2991
30	A	C	0.2225
31	G	C	0.4386
32	M	C	1.8054
33	I	C	2.7881
34	L	C	2.2978
35	P	C	1.2737
36	V	C	1.9011
37	T	C	0.5070
38	S	C	-0.0965
39	G	C	-0.7347
40	D	C	-1.1429
41	Y	C	0.7672
42	A	C	1.1218
43	I	C	2.5787
44	P	C	1.5791
45	V	C	1.7930
46	T	C	0.2647
47	N	C	-1.2917
48	G	C	-0.9447
49	S	C	-0.7048
50	G	C	-0.2563
51	A	C	0.6557
52	V	C	1.4890
53	G	C	0.0874
54	K	C	-1.1464
55	A	C	0.4110
56	L	C	1.0336
57	D	C	0.0649
58	I	C	0.6828
59	R	C	-0.0953
60	P	C	-0.4238
61	P	C	-0.4823
62	A	C	-0.5183
63	Q	C	-1.1211
64	P	C	0.0000
65	L	C	0.2251
66	A	C	0.0000
67	L	C	2.2079
68	V	C	1.8212
69	S	C	0.3301
70	G	C	0.1435
71	A	C	-0.4903
72	R	C	-1.7906
73	T	C	-0.9995
74	Q	C	-1.3842
75	F	C	-0.6101
76	T	C	-0.3657
77	G	C	-0.4454
78	D	C	-0.2864
79	T	C	-0.2504
80	A	C	0.0000
81	S	C	0.3046
82	L	C	0.0000
83	L	C	0.3652
84	V	C	-0.6373
85	E	C	-2.1816
86	N	C	-2.7415
87	G	C	-2.4423
88	R	C	-2.9303
89	G	C	0.0000
90	N	C	-2.0410
91	T	C	-1.2501
92	L	C	0.0000
93	W	C	-0.0265
94	P	C	-0.2769
95	Q	C	-0.3933
96	V	C	0.0000
97	V	C	0.2360
98	S	C	-0.3194
99	V	C	0.0000
100	L	C	0.0000
101	Q	C	-0.7481
102	A	C	-0.6615
103	K	C	-1.6870
104	N	C	-0.5113
105	Y	C	0.7415
106	T	C	1.1184
107	I	C	1.4210
108	T	C	0.0000
109	Q	C	-1.5133
110	R	C	-2.8230
111	D	C	-2.8024
112	D	C	-2.7008
113	A	C	-1.4765
114	G	C	-1.4539
115	Q	C	-1.6216
116	T	C	-1.1030
117	L	C	-0.4480
118	T	C	0.0000
119	T	C	0.0000
120	D	C	0.0000
121	W	C	0.8692
122	V	C	1.0991
123	Q	C	0.6156
124	W	C	0.4169
125	N	C	-0.6813
126	R	C	-2.0696
127	L	C	-0.9611
128	D	C	-2.9668
129	E	C	-3.0274
130	D	C	-3.5938
131	E	C	-2.9235
132	Q	C	-2.5116
133	Y	C	-1.6190
134	R	C	0.0000
135	G	C	0.0000
136	R	C	0.0000
137	Y	C	1.1291
138	Q	C	0.0000
139	I	C	0.8739
140	S	C	0.0000
141	V	C	0.6310
142	K	C	0.0000
143	P	C	-0.5675
144	Q	C	-1.3007
145	G	C	-0.3817
146	Y	C	0.4578
147	Q	C	-1.1541
148	Q	C	0.0000
149	A	C	-1.3437
150	V	C	0.0000
151	T	C	0.0000
152	V	C	0.6778
153	K	C	0.0000
154	L	C	0.7378
155	L	C	0.0000
156	N	C	0.6226
157	L	C	1.3389
158	E	C	0.0000
159	Q	C	0.0555
160	A	C	0.0000
161	G	C	-1.3517
162	K	C	-1.6971
163	P	C	-0.2304
164	V	C	0.9679
165	A	C	-0.1642
166	D	C	-1.1478
167	A	C	-0.5659
168	A	C	-0.4058
169	S	C	-0.2327
170	M	C	-0.4193
171	Q	C	0.0000
172	R	C	0.0000
173	Y	C	-0.0276
174	S	C	0.0000
175	T	C	0.0000
176	E	C	-0.0575
177	M	C	0.2683
178	M	C	0.0000
179	N	C	0.0000
180	V	C	1.0545
181	I	C	0.8098
182	S	C	0.2620
183	A	C	0.0000
184	G	C	0.5251
185	L	C	-0.2588
186	D	C	-1.1928