Project name: 270141dd0857901

Chain sequence(s)	A: MEYGQQGQRGHGRTGHVDQYGNPVGGVEHGTGGMRHGTGTTGGMGQLGEHGGAGMGGGQFQPAREEHKTGGILHRSGSSSSSSSEDDGMGGRRKKGIKEKIKEKLPGGHKDDQHATATTGGAYGQQGHTGSAYGQQGHTGGAYATGTEGTGEKKGIMDKIKEKLPGQH
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]                                                (00:00:00)
[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.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)

• Minimal score value: -4.1248
• Maximal score value: 1.8911
• Average score: -1.4011
• Total score value: -235.3821

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	M	A	0.4098
2	E	A	-0.9109
3	Y	A	-0.0644
4	G	A	-0.9769
5	Q	A	-2.2111
6	Q	A	-2.5773
7	G	A	-2.7140
8	Q	A	-3.0552
9	R	A	-3.3534
10	G	A	-2.7930
11	H	A	-2.6543
12	G	A	-2.3635
13	R	A	-2.7468
14	T	A	-1.5701
15	G	A	-1.2821
16	H	A	-0.6811
17	V	A	0.6691
18	D	A	-0.3163
19	Q	A	-0.7543
20	Y	A	0.2695
21	G	A	-0.3423
22	N	A	-0.7938
23	P	A	-0.3595
24	V	A	1.0634
25	G	A	-0.2147
26	G	A	-0.0098
27	V	A	0.3931
28	E	A	-1.7510
29	H	A	-1.7479
30	G	A	-1.2710
31	T	A	-1.0808
32	G	A	-0.7744
33	G	A	-0.6832
34	M	A	-0.4088
35	R	A	-1.9923
36	H	A	-2.0150
37	G	A	-1.6162
38	T	A	-0.7500
39	G	A	-0.7567
40	T	A	-0.4354
41	T	A	-0.5389
42	G	A	-0.6031
43	G	A	-0.4745
44	M	A	0.2522
45	G	A	-0.5112
46	Q	A	-0.9378
47	L	A	0.1732
48	G	A	-1.2489
49	E	A	-2.4711
50	H	A	-2.1428
51	G	A	-1.7449
52	G	A	-1.0901
53	A	A	-0.3730
54	G	A	-0.3080
55	M	A	0.3889
56	G	A	-0.5918
57	G	A	-0.7963
58	G	A	-0.9580
59	Q	A	-0.9284
60	F	A	0.5556
61	Q	A	-0.9295
62	P	A	-1.2626
63	A	A	-1.8016
64	R	A	-3.5002
65	E	A	-4.1147
66	E	A	-4.1248
67	H	A	-3.4895
68	K	A	-3.2020
69	T	A	-1.5455
70	G	A	-0.6934
71	G	A	0.3649
72	I	A	1.8911
73	L	A	1.3091
74	H	A	-0.7770
75	R	A	-1.9044
76	S	A	-1.5333
77	G	A	-1.4574
78	S	A	-0.9545
79	S	A	-0.6329
80	S	A	-0.6073
81	S	A	-0.5460
82	S	A	-0.7298
83	S	A	-1.0737
84	S	A	-2.0120
85	E	A	-3.3704
86	D	A	-3.6425
87	D	A	-3.1450
88	G	A	-1.8528
89	M	A	-0.8226
90	G	A	-1.6687
91	G	A	-2.5136
92	R	A	-3.4174
93	R	A	-4.0986
94	K	A	-3.7202
95	K	A	-3.6678
96	G	A	-1.9373
97	I	A	-0.1478
98	K	A	-1.8378
99	E	A	-2.7469
100	K	A	-2.0761
101	I	A	-0.5276
102	K	A	-2.4541
103	E	A	-3.1873
104	K	A	-2.5585
105	L	A	-1.3446
106	P	A	-1.2284
107	G	A	-1.8681
108	G	A	-2.4423
109	H	A	-3.3299
110	K	A	-3.9262
111	D	A	-4.0770
112	D	A	-3.9749
113	Q	A	-3.2308
114	H	A	-2.5820
115	A	A	-1.3521
116	T	A	-0.8615
117	A	A	-0.4113
118	T	A	-0.2903
119	T	A	-0.4460
120	G	A	-0.5830
121	G	A	-0.3979
122	A	A	0.2155
123	Y	A	0.4266
124	G	A	-1.6925
125	Q	A	-2.8161
126	Q	A	-3.4007
127	G	A	-3.1886
128	H	A	-2.3814
129	T	A	-0.9938
130	G	A	-0.8448
131	S	A	0.0138
132	A	A	0.4655
133	Y	A	0.7936
134	G	A	-0.5580
135	Q	A	-2.0253
136	Q	A	-2.4637
137	G	A	-2.0246
138	H	A	-1.7977
139	T	A	-1.1785
140	G	A	-0.8558
141	G	A	-0.4119
142	A	A	0.3042
143	Y	A	1.0982
144	A	A	0.4514
145	T	A	0.1794
146	G	A	-0.7956
147	T	A	-1.6167
148	E	A	-2.7612
149	G	A	-2.1083
150	T	A	-1.6316
151	G	A	-2.4160
152	E	A	-3.6814
153	K	A	-3.4275
154	K	A	-3.3505
155	G	A	-0.8446
156	I	A	1.2739
157	M	A	0.7512
158	D	A	-1.6633
159	K	A	-1.7535
160	I	A	0.0619
161	K	A	-1.9031
162	E	A	-2.9855
163	K	A	-2.2840
164	L	A	-0.4351
165	P	A	-1.1064
166	G	A	-1.7341
167	Q	A	-1.7783
168	H	A	-1.8694