Project name: 4aeb6ee6204d5b2

Chain sequence(s)	A: VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEGRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
pH calculations	No
alphaCutter usage	No
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:02)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)

• Minimal score value: -3.5984
• Maximal score value: 0.6495
• Average score: -1.0935
• Total score value: -203.3991

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	V	A	0.4357
2	G	A	0.3483
3	S	A	-0.0092
4	L	A	0.0803
5	N	A	0.0000
6	C	A	0.0000
7	I	A	0.0000
8	V	A	0.0000
9	A	A	0.1812
10	V	A	0.0000
11	S	A	0.0000
12	Q	A	-2.0761
13	N	A	-1.5989
14	M	A	-0.6108
15	G	A	0.0000
16	I	A	0.0657
17	G	A	0.0000
18	K	A	-2.1326
19	N	A	-2.2979
20	G	A	-1.7816
21	D	A	-1.8868
22	L	A	0.2774
23	P	A	-0.9551
24	W	A	0.0000
25	P	A	-0.5807
26	P	A	-1.0795
27	L	A	0.0000
28	R	A	-3.1114
29	N	A	-3.0059
30	E	A	-2.3422
31	G	A	-2.3920
32	R	A	-3.3525
33	Y	A	0.0000
34	F	A	-1.4099
35	Q	A	-2.2940
36	R	A	-2.3467
37	M	A	-1.0989
38	T	A	0.0000
39	T	A	-1.1630
40	T	A	-0.7356
41	S	A	-0.8408
42	S	A	-0.4468
43	V	A	-0.5843
44	E	A	-2.0392
45	G	A	-1.9660
46	K	A	-1.9042
47	Q	A	-1.6582
48	N	A	0.0000
49	L	A	0.0000
50	V	A	0.0000
51	I	A	0.0000
52	M	A	0.0000
53	G	A	-0.9781
54	K	A	-1.3671
55	K	A	-1.6200
56	T	A	-0.7119
57	W	A	0.0000
58	F	A	0.3995
59	S	A	-0.5298
60	I	A	-0.8832
61	P	A	-1.7169
62	E	A	-2.9213
63	K	A	-3.0482
64	N	A	-2.5908
65	R	A	-2.1990
66	P	A	-1.8791
67	L	A	0.0000
68	K	A	-2.1205
69	G	A	-1.3881
70	R	A	0.0000
71	I	A	-0.5215
72	N	A	0.0000
73	L	A	0.0000
74	V	A	0.0000
75	L	A	-1.3453
76	S	A	0.0000
77	R	A	-3.5984
78	E	A	-3.5003
79	L	A	-2.7316
80	K	A	-3.3264
81	E	A	-2.8704
82	P	A	-1.5490
83	P	A	-1.1891
84	Q	A	-1.9053
85	G	A	-1.3254
86	A	A	-0.8788
87	H	A	-0.7296
88	F	A	0.0762
89	L	A	-1.0664
90	S	A	0.0000
91	R	A	-3.3527
92	S	A	-2.3191
93	L	A	0.0000
94	D	A	-2.7769
95	D	A	-2.4921
96	A	A	0.0000
97	L	A	-1.4515
98	K	A	-2.5321
99	L	A	-1.8420
100	T	A	0.0000
101	E	A	-2.5762
102	Q	A	-2.3652
103	P	A	-2.1028
104	E	A	-2.5446
105	L	A	0.0000
106	A	A	-2.0505
107	N	A	-2.4996
108	K	A	-2.4328
109	V	A	0.0000
110	D	A	0.0000
111	M	A	0.0801
112	V	A	0.0000
113	W	A	0.0000
114	I	A	0.0000
115	V	A	0.1954
116	G	A	0.0000
117	G	A	-0.6115
118	S	A	-0.4467
119	S	A	-0.9166
120	V	A	0.0000
121	Y	A	0.0000
122	K	A	-2.8172
123	E	A	-2.5402
124	A	A	0.0000
125	M	A	0.0000
126	N	A	-2.3985
127	H	A	-2.0353
128	P	A	-1.7823
129	G	A	-1.8460
130	H	A	-1.9425
131	L	A	0.0000
132	K	A	-0.7267
133	L	A	0.0000
134	F	A	0.0000
135	V	A	0.0000
136	T	A	0.0000
137	R	A	-0.7789
138	I	A	0.0000
139	M	A	-1.3422
140	Q	A	-1.9254
141	D	A	-2.8006
142	F	A	-1.9434
143	E	A	-2.6237
144	S	A	-2.0323
145	D	A	-2.3686
146	T	A	-0.5418
147	F	A	0.5902
148	F	A	0.0000
149	P	A	-1.1760
150	E	A	-1.7255
151	I	A	-1.3429
152	D	A	-1.4071
153	L	A	-0.4892
154	E	A	-2.1001
155	K	A	-2.6565
156	Y	A	0.0000
157	K	A	-1.6296
158	L	A	0.3352
159	L	A	-0.3372
160	P	A	-0.8739
161	E	A	-1.4160
162	Y	A	-0.5202
163	P	A	-0.4772
164	G	A	-0.5150
165	V	A	0.0000
166	L	A	0.6495
167	S	A	-0.6717
168	D	A	-0.9897
169	V	A	-0.3792
170	Q	A	-1.4299
171	E	A	-2.8483
172	E	A	-2.7666
173	K	A	-2.4661
174	G	A	-1.9722
175	I	A	0.0000
176	K	A	-2.2609
177	Y	A	0.0000
178	K	A	-0.9059
179	F	A	-0.2421
180	E	A	-0.2486
181	V	A	0.0000
182	Y	A	0.0000
183	E	A	-1.2237
184	K	A	0.0000
185	N	A	-3.0388
186	D	A	-3.0529