Project name: AL55

Chain sequence(s)	A: NFMLTQPHSVSESPGKTVTISCTRSSGSIASYYVQWYQLRPGSAPTTVIYEDNQRPSGVPDRFSGSIDRSSNSASLTVSELKTEDEADYYCQSYDSNNWVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAPTECS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:43)

• Minimal score value: -3.251
• Maximal score value: 1.4855
• Average score: -0.8276
• Total score value: -178.768

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	N	A	-1.3134
2	F	A	0.0000
3	M	A	0.7424
4	L	A	0.0000
5	T	A	0.0392
6	Q	A	0.0000
7	P	A	-0.7279
8	H	A	-1.2348
9	S	A	-0.8570
10	V	A	-0.4542
11	S	A	-0.6311
12	E	A	-1.0437
13	S	A	-1.4464
14	P	A	-2.0445
15	G	A	-2.5853
16	K	A	-2.9273
17	T	A	-1.8361
18	V	A	0.0000
19	T	A	-0.1439
20	I	A	0.0000
21	S	A	-0.2287
22	C	A	0.0000
23	T	A	-0.1968
24	R	A	0.0000
25	S	A	-0.2881
26	S	A	-0.5899
27	G	A	-0.7553
28	S	A	-1.0259
29	I	A	0.0000
30	A	A	-0.5448
31	S	A	-0.1298
32	Y	A	0.4793
33	Y	A	0.5833
34	V	A	0.0000
35	Q	A	-0.2467
36	W	A	0.0000
37	Y	A	0.3495
38	Q	A	0.0000
39	L	A	-0.3538
40	R	A	-1.2001
41	P	A	-0.9127
42	G	A	-0.7950
43	S	A	-0.6114
44	A	A	-0.2952
45	P	A	-0.2880
46	T	A	-0.0724
47	T	A	-0.0008
48	V	A	0.0000
49	I	A	0.0000
50	Y	A	-1.0514
51	E	A	-1.5062
52	D	A	-1.3416
53	N	A	-2.2733
54	Q	A	-2.3915
55	R	A	-2.3835
56	P	A	-1.2132
57	S	A	-0.9735
58	G	A	-0.9270
59	V	A	-1.0412
60	P	A	-1.3591
61	D	A	-2.4142
62	R	A	-1.8481
63	F	A	0.0000
64	S	A	-1.3762
65	G	A	-1.2427
66	S	A	-1.0115
67	I	A	-0.9315
68	D	A	-2.0466
69	R	A	-2.5610
70	S	A	-1.6079
71	S	A	-1.3043
72	N	A	-1.5391
73	S	A	0.0000
74	A	A	0.0000
75	S	A	-0.4973
76	L	A	0.0000
77	T	A	-0.4089
78	V	A	0.0000
79	S	A	-2.0808
80	E	A	-3.2428
81	L	A	0.0000
82	K	A	-2.6117
83	T	A	-1.5674
84	E	A	-1.9571
85	D	A	0.0000
86	E	A	-1.5788
87	A	A	0.0000
88	D	A	-0.8660
89	Y	A	0.0000
90	Y	A	0.3759
91	C	A	0.0000
92	Q	A	0.0000
93	S	A	0.0000
94	Y	A	0.6878
95	D	A	-0.6938
96	S	A	-0.8886
97	N	A	-1.6958
98	N	A	-0.8520
99	W	A	0.7985
100	V	A	0.0000
101	F	A	1.4855
102	G	A	0.0000
103	G	A	-0.3208
104	G	A	0.0000
105	T	A	0.0000
106	K	A	-1.0030
107	L	A	0.0000
108	T	A	0.0000
109	V	A	0.0000
110	L	A	-0.8700
111	G	A	-0.8676
112	Q	A	-1.1996
113	P	A	-1.2855
114	K	A	-2.2141
115	A	A	-1.3144
116	A	A	-0.7603
117	P	A	-0.4448
118	S	A	-0.2920
119	V	A	0.0000
120	T	A	0.0172
121	L	A	0.0000
122	F	A	1.1797
123	P	A	0.2652
124	P	A	0.0000
125	S	A	-1.0941
126	S	A	-1.8056
127	E	A	-2.8792
128	E	A	-2.6067
129	L	A	-2.3151
130	Q	A	-2.5703
131	A	A	-2.2337
132	N	A	-2.9241
133	K	A	-3.1091
134	A	A	0.0000
135	T	A	-0.1340
136	L	A	0.0000
137	V	A	1.0311
138	C	A	0.0000
139	L	A	0.9078
140	I	A	0.0000
141	S	A	-0.6468
142	D	A	-1.7529
143	F	A	0.0000
144	Y	A	0.0000
145	P	A	0.0000
146	G	A	0.0000
147	A	A	-0.3357
148	V	A	-0.1479
149	T	A	-0.1540
150	V	A	-0.0238
151	A	A	-0.4908
152	W	A	0.0000
153	K	A	-1.1254
154	A	A	0.0000
155	D	A	-1.3702
156	S	A	-0.9004
157	S	A	-0.7518
158	P	A	-0.8450
159	V	A	-0.8546
160	K	A	-1.8904
161	A	A	-1.0723
162	G	A	-0.9665
163	V	A	-1.0529
164	E	A	-1.8225
165	T	A	-0.6007
166	T	A	-0.5054
167	T	A	-0.4989
168	P	A	-0.5971
169	S	A	-1.3764
170	K	A	-2.6713
171	Q	A	-2.1841
172	S	A	-1.6570
173	N	A	-2.0421
174	N	A	-2.6070
175	K	A	-2.3797
176	Y	A	-1.6472
177	A	A	-0.8826
178	A	A	0.0000
179	S	A	0.1288
180	S	A	0.0000
181	Y	A	0.3450
182	L	A	0.0000
183	S	A	-0.6637
184	L	A	-1.2225
185	T	A	-2.0212
186	P	A	0.0000
187	E	A	-3.2510
188	Q	A	-2.4810
189	W	A	0.0000
190	K	A	-3.1391
191	S	A	-2.4123
192	H	A	-2.3581
193	K	A	-2.4130
194	S	A	-1.7432
195	Y	A	0.0000
196	S	A	0.0000
197	C	A	0.0000
198	Q	A	-1.0372
199	V	A	0.0000
200	T	A	-0.5886
201	H	A	0.0000
202	E	A	-1.7385
203	G	A	-1.1783
204	S	A	-0.7849
205	T	A	-0.7114
206	V	A	-0.8107
207	E	A	-2.0965
208	K	A	-1.5053
209	T	A	-0.8889
210	V	A	0.0000
211	A	A	-1.4690
212	P	A	-1.5749
213	T	A	-1.5453
214	E	A	-1.8124
215	C	A	-0.7235
216	S	A	-0.8497