Project name: ab9195ccafb69d7

Chain sequence(s)	A: MAAATASLSSTLLAPCSSKQPQPQQQHQHQQLKCKSFSGLRPLKLNISSNNSSSSLSMSSARRSMTCRAELSPSLVISLSTGLSLFLGRFVFFNFQRENMAKQVPEQNGMSHFEAGDTRAKEYVSLLKSNDPVGFNIVDVLAWGSIGHIVAYYILATASNGYDPSFF
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: -3.4503
• Maximal score value: 4.274
• Average score: 0.1192
• Total score value: 19.8996

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	1.0940
2	A	A	0.6108
3	A	A	0.3346
4	A	A	0.0840
5	T	A	0.1070
6	A	A	0.3007
7	S	A	0.4960
8	L	A	1.3047
9	S	A	0.3737
10	S	A	0.3472
11	T	A	0.9204
12	L	A	2.2152
13	L	A	2.2573
14	A	A	1.2664
15	P	A	0.3893
16	C	A	0.4731
17	S	A	-0.3751
18	S	A	-1.2171
19	K	A	-2.4813
20	Q	A	-2.4522
21	P	A	-1.9020
22	Q	A	-2.1102
23	P	A	-1.8253
24	Q	A	-2.5714
25	Q	A	-2.9306
26	Q	A	-2.9513
27	H	A	-2.9709
28	Q	A	-3.0431
29	H	A	-2.6793
30	Q	A	-2.5633
31	Q	A	-1.8550
32	L	A	-0.3060
33	K	A	-1.6197
34	C	A	-0.4694
35	K	A	-1.1902
36	S	A	-0.2394
37	F	A	1.4785
38	S	A	0.3148
39	G	A	0.2334
40	L	A	0.8387
41	R	A	-1.1825
42	P	A	-0.2553
43	L	A	0.5859
44	K	A	-0.6171
45	L	A	1.0417
46	N	A	0.0685
47	I	A	1.3150
48	S	A	0.1882
49	S	A	-0.8806
50	N	A	-1.8803
51	N	A	-2.1235
52	S	A	-1.3450
53	S	A	-0.7135
54	S	A	-0.2672
55	S	A	0.4400
56	L	A	1.5417
57	S	A	0.8717
58	M	A	1.2175
59	S	A	0.1086
60	S	A	-0.8706
61	A	A	-1.5228
62	R	A	-2.7271
63	R	A	-2.5423
64	S	A	-1.1243
65	M	A	-0.0285
66	T	A	-0.1435
67	C	A	-0.1138
68	R	A	-1.7416
69	A	A	-1.3880
70	E	A	-2.0265
71	L	A	-0.2071
72	S	A	0.0461
73	P	A	0.4839
74	S	A	0.8224
75	L	A	2.0395
76	V	A	1.9634
77	I	A	1.6078
78	S	A	1.2814
79	L	A	2.3994
80	S	A	2.0250
81	T	A	1.9168
82	G	A	1.9119
83	L	A	3.0989
84	S	A	2.5449
85	L	A	2.7784
86	F	A	3.9320
87	L	A	3.8919
88	G	A	2.8605
89	R	A	2.7640
90	F	A	4.1579
91	V	A	4.2740
92	F	A	3.4619
93	F	A	1.8110
94	N	A	-0.1412
95	F	A	0.6048
96	Q	A	-1.6106
97	R	A	-2.8526
98	E	A	-3.4503
99	N	A	-2.9494
100	M	A	-1.3082
101	A	A	-1.8872
102	K	A	-2.7217
103	Q	A	-1.6636
104	V	A	-0.0265
105	P	A	-1.3278
106	E	A	-2.5000
107	Q	A	-2.6073
108	N	A	-2.4236
109	G	A	-1.6142
110	M	A	-0.4491
111	S	A	-0.6775
112	H	A	-1.0450
113	F	A	0.2626
114	E	A	-1.4537
115	A	A	-1.2138
116	G	A	-1.7737
117	D	A	-2.8787
118	T	A	-2.0664
119	R	A	-3.2440
120	A	A	-2.2868
121	K	A	-2.7533
122	E	A	-1.3957
123	Y	A	1.2690
124	V	A	1.9976
125	S	A	1.4696
126	L	A	2.5037
127	L	A	2.1849
128	K	A	-0.7128
129	S	A	-1.0842
130	N	A	-2.1355
131	D	A	-1.9942
132	P	A	-0.9720
133	V	A	-0.1566
134	G	A	-0.6306
135	F	A	0.4285
136	N	A	1.6333
137	I	A	3.5943
138	V	A	3.3343
139	D	A	1.6511
140	V	A	2.5375
141	L	A	3.0986
142	A	A	2.0294
143	W	A	1.9978
144	G	A	1.6806
145	S	A	1.4530
146	I	A	2.4834
147	G	A	0.0000
148	H	A	1.6104
149	I	A	3.5840
150	V	A	3.4625
151	A	A	3.0421
152	Y	A	3.4966
153	Y	A	3.4564
154	I	A	2.8579
155	L	A	2.2345
156	A	A	1.1226
157	T	A	0.8253
158	A	A	0.5812
159	S	A	-0.1956
160	N	A	-1.1797
161	G	A	-0.9860
162	Y	A	-0.3302
163	D	A	-1.3624
164	P	A	-0.0548
165	S	A	0.8504
166	F	A	2.4680
167	F	A	2.7725