Project name: AL55

Chain sequence(s)	A: NFMLTQPHSVSESPGKTLTISCTGSSASIASHYVQWYQQRPGGAPTTLIYENDQRPSEVPDRFSGSIDSSSNSASLTISGLKTEDEADYYCQSYDGNNHWVFGGGTKLTVLSQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAPTEC
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:44)

• Minimal score value: -2.0
• Maximal score value: 1.4849
• Average score: -0.3328
• Total score value: -71.8872

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	-1.2730
2	F	A	0.0000
3	M	A	1.0534
4	L	A	0.0000
5	T	A	-0.0935
6	Q	A	-0.1538
7	P	A	-0.3036
8	H	A	-1.0127
9	S	A	-0.2256
10	V	A	0.2141
11	S	A	-0.0770
12	E	A	-0.4043
13	S	A	-0.1238
14	P	A	-0.2843
15	G	A	-0.8443
16	K	A	-1.7862
17	T	A	-0.3771
18	L	A	0.0000
19	T	A	-0.0513
20	I	A	0.0000
21	S	A	-0.0810
22	C	A	0.0000
23	T	A	-0.0406
24	G	A	-0.0785
25	S	A	-0.1736
26	S	A	-0.2309
27	A	A	-0.0514
28	S	A	-0.2079
29	I	A	0.0000
30	A	A	0.0195
31	S	A	-0.2508
32	H	A	-0.1069
33	Y	A	0.9289
34	V	A	0.0000
35	Q	A	0.0000
36	W	A	0.0000
37	Y	A	0.1598
38	Q	A	-0.1247
39	Q	A	-0.5078
40	R	A	-1.4131
41	P	A	-0.5838
42	G	A	-0.6003
43	G	A	-0.5418
44	A	A	-0.0758
45	P	A	-0.2758
46	T	A	-0.0880
47	T	A	-0.0163
48	L	A	0.0000
49	I	A	0.0000
50	Y	A	0.4742
51	E	A	-0.5963
52	N	A	-0.7387
53	D	A	-2.0000
54	Q	A	-1.3066
55	R	A	-0.6685
56	P	A	-0.1728
57	S	A	-0.5540
58	E	A	-1.8266
59	V	A	-0.1842
60	P	A	-0.4656
61	D	A	-1.8842
62	R	A	-0.6877
63	F	A	0.0000
64	S	A	-0.0960
65	G	A	-0.3607
66	S	A	-0.1238
67	I	A	0.2918
68	D	A	-1.1070
69	S	A	-0.5019
70	S	A	-0.2834
71	S	A	-0.2654
72	N	A	-0.3526
73	S	A	0.0000
74	A	A	0.0000
75	S	A	-0.0527
76	L	A	0.0000
77	T	A	-0.0307
78	I	A	0.0000
79	S	A	-0.1864
80	G	A	-0.3118
81	L	A	0.0000
82	K	A	-0.9469
83	T	A	-0.5774
84	E	A	-1.8329
85	D	A	0.0000
86	E	A	-1.1933
87	A	A	0.0000
88	D	A	-0.7196
89	Y	A	0.0000
90	Y	A	0.3175
91	C	A	0.0000
92	Q	A	0.0000
93	S	A	0.0000
94	Y	A	0.1572
95	D	A	-0.3841
96	G	A	-0.7626
97	N	A	-1.5892
98	N	A	-1.6591
99	H	A	-1.0273
100	W	A	0.9079
101	V	A	0.0000
102	F	A	1.4849
103	G	A	0.1342
104	G	A	-0.4898
105	G	A	-0.1143
106	T	A	0.0000
107	K	A	-0.5732
108	L	A	0.0000
109	T	A	0.0000
110	V	A	0.0000
111	L	A	0.1944
112	S	A	-0.2141
113	Q	A	-0.3314
114	P	A	-0.6160
115	K	A	-1.7448
116	A	A	-0.2906
117	A	A	0.0587
118	P	A	0.0000
119	S	A	-0.2129
120	V	A	0.0000
121	T	A	0.0561
122	L	A	0.3239
123	F	A	0.9798
124	P	A	0.0487
125	P	A	0.0000
126	S	A	-0.1791
127	S	A	-0.5726
128	E	A	-1.9057
129	E	A	-0.5269
130	L	A	0.0692
131	Q	A	-1.1263
132	A	A	-0.3927
133	N	A	-1.5741
134	K	A	-1.9330
135	A	A	0.0000
136	T	A	-0.0336
137	L	A	0.0000
138	V	A	0.6957
139	C	A	0.0000
140	L	A	0.6633
141	I	A	0.0000
142	S	A	-0.2208
143	D	A	-1.0105
144	F	A	0.0000
145	Y	A	0.0000
146	P	A	0.0000
147	G	A	-0.0740
148	A	A	0.0424
149	V	A	0.2557
150	T	A	0.0233
151	V	A	0.2339
152	A	A	0.0700
153	W	A	0.0000
154	K	A	-0.5147
155	A	A	0.0000
156	D	A	-0.8359
157	S	A	-0.3941
158	S	A	-0.2986
159	P	A	-0.2827
160	V	A	0.1132
161	K	A	-1.6015
162	A	A	-0.3353
163	G	A	-0.3641
164	V	A	-0.0230
165	E	A	-1.4471
166	T	A	-0.3266
167	T	A	-0.0696
168	T	A	-0.0881
169	P	A	-0.0972
170	S	A	-0.5371
171	K	A	-1.7687
172	Q	A	-0.6386
173	S	A	-0.4389
174	N	A	-1.2248
175	N	A	-1.4961
176	K	A	-0.4772
177	Y	A	-0.1331
178	A	A	0.0398
179	A	A	0.0000
180	S	A	0.0354
181	S	A	0.0000
182	Y	A	0.6152
183	L	A	0.0000
184	S	A	-0.1087
185	L	A	0.1475
186	T	A	-0.0180
187	P	A	-0.3786
188	E	A	-1.9816
189	Q	A	-1.2014
190	W	A	0.0000
191	K	A	-1.7387
192	S	A	-0.6667
193	H	A	-0.6496
194	K	A	-1.7652
195	S	A	-0.3640
196	Y	A	0.0000
197	S	A	-0.0949
198	C	A	0.0000
199	Q	A	-0.5898
200	V	A	0.0000
201	T	A	-0.0367
202	H	A	0.0000
203	E	A	-1.9048
204	G	A	-0.8122
205	S	A	-0.1776
206	T	A	-0.0032
207	V	A	0.1190
208	E	A	-1.9407
209	K	A	-1.2119
210	T	A	-0.1981
211	V	A	0.1955
212	A	A	0.0552
213	P	A	-0.0650
214	T	A	-0.4184
215	E	A	-1.6983
216	C	A	0.3965