Project name: 9db13fac7d511e9

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

• Minimal score value: -4.3892
• Maximal score value: 4.6619
• Average score: -0.4566
• Total score value: -116.8889

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	0.6605
2	A	A	-0.6144
3	N	A	-2.2744
4	N	A	-3.2252
5	E	A	-3.9081
6	E	A	-3.7396
7	H	A	-2.9224
8	P	A	-1.9884
9	P	A	-2.0000
10	R	A	-2.9841
11	G	A	-2.3789
12	N	A	-2.7422
13	E	A	-2.6338
14	W	A	-0.2864
15	E	A	-0.6797
16	V	A	1.9423
17	V	A	2.4703
18	S	A	1.5261
19	L	A	2.0253
20	T	A	0.9067
21	S	A	0.7681
22	S	A	0.7191
23	A	A	0.7773
24	Y	A	1.2631
25	A	A	0.5754
26	A	A	0.3604
27	A	A	0.1786
28	P	A	-0.1649
29	G	A	-0.5315
30	P	A	-0.0134
31	Y	A	0.7157
32	N	A	-0.4668
33	V	A	0.3467
34	E	A	-1.8555
35	S	A	-1.9601
36	R	A	-2.9272
37	D	A	-2.5953
38	V	A	-0.8203
39	R	A	-2.1203
40	K	A	-1.9514
41	Y	A	-0.8157
42	D	A	-1.0151
43	A	A	0.2619
44	Y	A	1.4777
45	Y	A	1.3348
46	G	A	0.0652
47	A	A	-0.5910
48	E	A	-2.1560
49	T	A	-1.9701
50	S	A	-1.9093
51	R	A	-2.4664
52	D	A	-1.4128
53	L	A	0.9877
54	Y	A	1.3675
55	M	A	1.2757
56	S	A	0.0785
57	E	A	-0.9631
58	H	A	-0.0687
59	F	A	2.4227
60	V	A	2.8954
61	F	A	3.0249
62	P	A	0.9536
63	P	A	-0.3555
64	S	A	-1.5728
65	E	A	-3.2703
66	H	A	-2.9312
67	E	A	-3.1985
68	N	A	-1.6415
69	L	A	0.5370
70	P	A	0.0568
71	I	A	0.6622
72	D	A	-1.0948
73	E	A	-0.9152
74	S	A	0.3727
75	L	A	1.8058
76	F	A	2.4752
77	V	A	2.0700
78	A	A	0.2621
79	E	A	-2.0220
80	Q	A	-3.2287
81	R	A	-4.2623
82	K	A	-4.3892
83	D	A	-3.9526
84	G	A	-3.1602
85	R	A	-3.1029
86	D	A	-1.5521
87	L	A	0.8249
88	M	A	1.3317
89	L	A	1.0695
90	E	A	-1.1185
91	G	A	-1.2950
92	Q	A	-1.6170
93	G	A	-0.8360
94	L	A	0.3458
95	S	A	-0.8322
96	D	A	-1.8745
97	Q	A	-1.1151
98	F	A	0.6077
99	H	A	-0.4173
100	Y	A	0.2587
101	E	A	-1.4538
102	A	A	-1.1164
103	G	A	-1.8368
104	N	A	-2.5690
105	N	A	-2.8980
106	Q	A	-2.8362
107	Q	A	-1.7341
108	S	A	0.0687
109	I	A	2.1798
110	Y	A	1.5890
111	G	A	-0.3380
112	E	A	-1.8226
113	S	A	-0.8504
114	A	A	0.1921
115	L	A	1.2170
116	G	A	0.2544
117	S	A	-0.7152
118	S	A	-1.5288
119	R	A	-2.2374
120	H	A	-1.8435
121	M	A	-0.7831
122	E	A	-1.1945
123	S	A	-0.0205
124	F	A	1.1732
125	G	A	-0.1063
126	S	A	-0.9852
127	E	A	-2.1258
128	S	A	-0.7330
129	A	A	0.5105
130	V	A	1.9949
131	Y	A	0.8981
132	E	A	-1.3052
133	H	A	-1.5073
134	G	A	-0.2360
135	L	A	1.5904
136	V	A	1.4703
137	D	A	-0.9945
138	A	A	-1.5836
139	E	A	-2.5905
140	G	A	-1.9360
141	N	A	-1.4890
142	L	A	0.0313
143	D	A	-0.9083
144	L	A	0.1734
145	H	A	-1.0834
146	S	A	-1.7283
147	D	A	-2.6165
148	G	A	-2.6939
149	E	A	-3.1154
150	G	A	-2.9428
151	E	A	-3.5522
152	K	A	-3.3419
153	D	A	-2.8483
154	V	A	-0.9510
155	K	A	-2.4545
156	K	A	-2.6388
157	S	A	-1.8037
158	T	A	-1.5015
159	H	A	-1.5731
160	N	A	-1.2379
161	L	A	0.3215
162	P	A	0.0426
163	C	A	0.2629
164	E	A	-1.1263
165	A	A	-0.2576
166	W	A	0.1563
167	W	A	0.0948
168	K	A	-1.2925
169	R	A	-2.0250
170	R	A	-1.4060
171	A	A	0.2774
172	I	A	1.4047
173	S	A	0.2937
174	M	A	1.0327
175	Y	A	1.4372
176	S	A	-0.3208
177	R	A	-2.2276
178	T	A	-1.9717
179	R	A	-3.3531
180	E	A	-2.4621
181	A	A	-0.9830
182	N	A	-0.7051
183	A	A	0.9319
184	I	A	3.1757
185	W	A	3.2055
186	S	A	2.7278
187	L	A	4.0990
188	F	A	4.6619
189	F	A	4.3675
190	A	A	3.1784
191	A	A	2.7135
192	A	A	3.0709
193	V	A	4.0759
194	T	A	2.9342
195	G	A	2.5931
196	L	A	3.5030
197	V	A	3.6166
198	V	A	3.0161
199	L	A	2.5042
200	G	A	0.7682
201	Q	A	-1.0283
202	R	A	-1.6285
203	W	A	-0.9171
204	Q	A	-2.1440
205	Q	A	-2.7151
206	E	A	-2.6077
207	R	A	-1.8545
208	W	A	-0.6150
209	Q	A	-0.8535
210	V	A	0.5777
211	L	A	0.2980
212	Q	A	-0.4767
213	L	A	0.5555
214	K	A	-0.4985
215	W	A	0.4429
216	Q	A	-0.4121
217	S	A	-0.5817
218	S	A	0.0621
219	I	A	0.9612
220	S	A	-0.5164
221	S	A	-1.2024
222	E	A	-2.5034
223	K	A	-1.9278
224	L	A	0.3596
225	G	A	-0.7252
226	R	A	-1.5431
227	V	A	1.0787
228	L	A	1.0691
229	E	A	-1.2770
230	P	A	-0.2286
231	L	A	0.9583
232	S	A	-0.8208
233	R	A	-1.4517
234	L	A	0.8513
235	K	A	-0.7886
236	D	A	-1.0076
237	V	A	1.6360
238	I	A	2.3338
239	V	A	1.5937
240	R	A	-0.9093
241	S	A	-0.8921
242	N	A	-2.1951
243	P	A	-1.7659
244	Q	A	-1.5652
245	A	A	-0.2401
246	S	A	0.5437
247	L	A	1.6469
248	V	A	1.4548
249	R	A	-0.8336
250	S	A	-0.7435
251	G	A	-1.0509
252	S	A	-1.0514
253	S	A	-1.0035
254	S	A	-0.9119
255	E	A	-1.1375
256	V	A	0.8424