Project name: b325a3204607254

Chain sequence(s)	A: MTKFTILLISLLFCIAHTCSASKWQHQQDSCRKQLQGVNLTPCEKHIMEKIQGRGDDDDDDDDDNHILRTMRGRINYIRRNEGKDEDEEEEGHMQKCCTEMSELRSPKCQCKALQKIMENQSEELEEKQKKKMEKELINLATMCRFGPMIQCDLSSDD
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[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: -5.0423
• Maximal score value: 5.9195
• Average score: -1.4333
• Total score value: -226.4538

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	1.3159
2	T	A	0.9276
3	K	A	0.7877
4	F	A	3.2277
5	T	A	3.2366
6	I	A	4.3980
7	L	A	4.8841
8	L	A	5.4106
9	I	A	5.9195
10	S	A	4.9196
11	L	A	5.3030
12	L	A	5.3543
13	F	A	4.6989
14	C	A	3.6001
15	I	A	3.5158
16	A	A	2.0325
17	H	A	0.6185
18	T	A	0.7804
19	C	A	0.5754
20	S	A	-0.4699
21	A	A	-0.6761
22	S	A	-1.4136
23	K	A	-2.2561
24	W	A	-1.0584
25	Q	A	-2.3285
26	H	A	-2.8979
27	Q	A	-2.8219
28	Q	A	-3.1461
29	D	A	-3.2779
30	S	A	-2.6897
31	C	A	0.0000
32	R	A	-3.8960
33	K	A	-3.5868
34	Q	A	-2.9425
35	L	A	-2.6347
36	Q	A	-2.5855
37	G	A	-2.1700
38	V	A	-1.6469
39	N	A	-1.6017
40	L	A	0.0000
41	T	A	-1.0291
42	P	A	-1.6204
43	C	A	0.0000
44	E	A	-1.4362
45	K	A	-1.8391
46	H	A	0.0000
47	I	A	0.0000
48	M	A	-1.4532
49	E	A	-2.3600
50	K	A	-2.3337
51	I	A	0.0000
52	Q	A	-2.7912
53	G	A	-2.8214
54	R	A	-3.9055
55	G	A	-3.3714
56	D	A	-4.1645
57	D	A	-4.6728
58	D	A	-5.0423
59	D	A	-4.6090
60	D	A	-4.6148
61	D	A	-4.9148
62	D	A	-4.7358
63	D	A	-4.3595
64	D	A	-3.6599
65	N	A	-2.7455
66	H	A	-1.3429
67	I	A	1.1634
68	L	A	0.5471
69	R	A	-1.5718
70	T	A	-0.3757
71	M	A	0.5241
72	R	A	-1.3338
73	G	A	-0.9331
74	R	A	-0.4866
75	I	A	0.5589
76	N	A	-1.4656
77	Y	A	-0.5776
78	I	A	0.2414
79	R	A	-2.5669
80	R	A	-3.7825
81	N	A	-3.6826
82	E	A	-3.6575
83	G	A	-3.9231
84	K	A	-4.6605
85	D	A	-4.6204
86	E	A	-4.5935
87	D	A	-4.4781
88	E	A	-4.8494
89	E	A	-4.2486
90	E	A	-3.6892
91	E	A	-3.3247
92	G	A	-3.0009
93	H	A	-2.6935
94	M	A	0.0000
95	Q	A	-2.6129
96	K	A	-2.7367
97	C	A	0.0000
98	C	A	-1.4812
99	T	A	-1.7127
100	E	A	-1.9655
101	M	A	0.0000
102	S	A	-2.0238
103	E	A	-2.6606
104	L	A	0.0000
105	R	A	-2.7747
106	S	A	-2.0347
107	P	A	-1.7279
108	K	A	-2.6157
109	C	A	0.0000
110	Q	A	-1.7354
111	C	A	-1.7120
112	K	A	-2.2414
113	A	A	0.0000
114	L	A	0.0000
115	Q	A	-2.3524
116	K	A	-2.3875
117	I	A	0.0000
118	M	A	0.0000
119	E	A	-3.4160
120	N	A	-3.1721
121	Q	A	-2.6978
122	S	A	-3.6533
123	E	A	-3.9345
124	E	A	-3.6100
125	L	A	0.0000
126	E	A	-4.4760
127	E	A	-4.7133
128	K	A	-4.2239
129	Q	A	-4.1688
130	K	A	-4.5681
131	K	A	-4.4496
132	K	A	-3.9524
133	M	A	0.0000
134	E	A	-2.9640
135	K	A	-2.8466
136	E	A	-1.7262
137	L	A	0.0000
138	I	A	-0.0404
139	N	A	-0.6571
140	L	A	0.0000
141	A	A	0.0000
142	T	A	-0.5342
143	M	A	-0.1022
144	C	A	-0.7971
145	R	A	-1.7494
146	F	A	0.0000
147	G	A	-0.9383
148	P	A	-0.3528
149	M	A	-0.0425
150	I	A	1.2162
151	Q	A	-0.9323
152	C	A	-1.2853
153	D	A	-2.3610
154	L	A	0.0000
155	S	A	-2.3270
156	S	A	-2.5000
157	D	A	-3.0610
158	D	A	-2.7440