Project name: n153-l94

Chain sequence(s)	A: QVQLVQSGPELKKPGASVKVSCKASGYTFTEYVMHWVRQAPGQGLEWIGYFLPFNDLTKYNEKFRGRVTLTSDTSSSTAFMELSRLTSEDTAVYYCARYDYDGFFDVWGQGTTVTVSSGGGGSGGGGSGGGGSDIQMTQSPSSLSASVGDRVTISCRASQDISKYLNWYQQKPGKAPKLLIYHTSRLHSGVPSRFSGSGSGTDFTLTISNLQPEDIATYFCQQGNTRTYTFGGGTKVEIK
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]                                                (00:00:00)
[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                                          (00:02:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:37)

• Minimal score value: -3.6154
• Maximal score value: 0.69
• Average score: -0.799
• Total score value: -191.7612

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	Q	A	-1.4249
2	V	A	-0.8887
3	Q	A	-1.1406
4	L	A	0.0000
5	V	A	0.1206
6	Q	A	0.0000
7	S	A	-0.6603
8	G	A	-0.6813
9	P	A	-0.4483
10	E	A	-0.4820
11	L	A	0.4891
12	K	A	-0.9084
13	K	A	-2.1420
14	P	A	-1.7321
15	G	A	-1.5750
16	A	A	-1.4042
17	S	A	-1.6693
18	V	A	0.0000
19	K	A	-2.0488
20	V	A	0.0000
21	S	A	-0.6058
22	C	A	0.0000
23	K	A	-1.0627
24	A	A	0.0000
25	S	A	-0.8615
26	G	A	-0.9311
27	Y	A	-0.5574
28	T	A	-0.5747
29	F	A	0.0000
30	T	A	-0.5155
31	E	A	-1.0687
32	Y	A	-0.0055
33	V	A	0.5714
34	M	A	0.0000
35	H	A	0.0000
36	W	A	0.0000
37	V	A	0.0000
38	R	A	0.0000
39	Q	A	-0.6733
40	A	A	-1.0489
41	P	A	-0.8728
42	G	A	-1.2803
43	Q	A	-1.7882
44	G	A	-1.1797
45	L	A	0.0000
46	E	A	-1.0667
47	W	A	0.0000
48	I	A	0.0000
49	G	A	0.0000
50	Y	A	0.0000
51	F	A	0.0000
52	L	A	-0.0795
53	P	A	0.0000
54	F	A	0.6900
55	N	A	-0.8242
56	D	A	-1.3153
57	L	A	-0.0332
58	T	A	-0.3771
59	K	A	-1.1087
60	Y	A	-1.6781
61	N	A	0.0000
62	E	A	-3.6154
63	K	A	-3.5239
64	F	A	0.0000
65	R	A	-3.4625
66	G	A	-2.3304
67	R	A	-2.1426
68	V	A	0.0000
69	T	A	-0.9780
70	L	A	0.0000
71	T	A	-0.4215
72	S	A	-0.6374
73	D	A	-1.1018
74	T	A	-0.3685
75	S	A	-0.6209
76	S	A	-0.8314
77	S	A	-0.8159
78	T	A	-0.7658
79	A	A	0.0000
80	F	A	-0.6168
81	M	A	0.0000
82	E	A	-1.4470
83	L	A	0.0000
84	S	A	-1.7660
85	R	A	-2.3966
86	L	A	0.0000
87	T	A	-1.6861
88	S	A	-1.7076
89	E	A	-2.1945
90	D	A	0.0000
91	T	A	-0.6523
92	A	A	0.0000
93	V	A	0.0230
94	Y	A	0.0000
95	Y	A	0.0000
96	C	A	0.0000
97	A	A	0.0000
98	R	A	0.0000
99	Y	A	0.1059
100	D	A	-0.1143
101	Y	A	0.5568
102	D	A	-0.4573
103	G	A	0.0000
104	F	A	0.0000
105	F	A	0.0000
106	D	A	-0.5373
107	V	A	-0.3282
108	W	A	-0.4571
109	G	A	0.0000
110	Q	A	-1.2927
111	G	A	-0.7281
112	T	A	0.0000
113	T	A	-0.1605
114	V	A	0.0000
115	T	A	-0.3528
116	V	A	0.0000
117	S	A	-1.1588
118	S	A	-1.3372
119	G	A	-1.1667
120	G	A	-1.1084
121	G	A	-1.1327
122	G	A	-1.0982
123	S	A	-0.9580
124	G	A	-1.3430
125	G	A	-1.4576
126	G	A	-1.4082
127	G	A	-1.3795
128	S	A	-1.0363
129	G	A	-1.3873
130	G	A	-1.7608
131	G	A	-1.1421
132	G	A	-1.7574
133	S	A	-0.9718
134	D	A	-1.7450
135	I	A	0.0000
136	Q	A	-2.0319
137	M	A	0.0000
138	T	A	-1.4553
139	Q	A	-0.9247
140	S	A	-0.9190
141	P	A	-0.6952
142	S	A	-0.9568
143	S	A	-1.2217
144	L	A	-0.9356
145	S	A	-1.1181
146	A	A	-1.0171
147	S	A	-0.7401
148	V	A	0.2398
149	G	A	-0.8336
150	D	A	-1.7347
151	R	A	-2.4786
152	V	A	0.0000
153	T	A	-0.6303
154	I	A	0.0000
155	S	A	-1.0222
156	C	A	0.0000
157	R	A	-3.2102
158	A	A	0.0000
159	S	A	-2.2840
160	Q	A	-2.9823
161	D	A	-3.1819
162	I	A	0.0000
163	S	A	-1.8149
164	K	A	-2.0431
165	Y	A	-0.8258
166	L	A	0.0000
167	N	A	0.0000
168	W	A	0.0000
169	Y	A	0.0000
170	Q	A	0.0000
171	Q	A	0.0000
172	K	A	-1.7101
173	P	A	-1.1566
174	G	A	-1.6442
175	K	A	-2.5369
176	A	A	-1.5638
177	P	A	0.0000
178	K	A	-1.4350
179	L	A	0.0000
180	L	A	0.0000
181	I	A	0.0000
182	Y	A	0.0000
183	H	A	-1.2406
184	T	A	0.0000
185	S	A	-1.4615
186	R	A	-1.9026
187	L	A	-0.8408
188	H	A	-0.8553
189	S	A	-0.6238
190	G	A	-0.5180
191	V	A	-0.3982
192	P	A	-0.3433
193	S	A	-0.4841
194	R	A	-0.9782
195	F	A	0.0000
196	S	A	-0.6166
197	G	A	-0.6773
198	S	A	-1.1263
199	G	A	-1.4768
200	S	A	-1.8208
201	G	A	-2.1976
202	T	A	-2.7587
203	D	A	-3.0695
204	F	A	0.0000
205	T	A	-0.9037
206	L	A	0.0000
207	T	A	-0.7118
208	I	A	0.0000
209	S	A	-1.7261
210	N	A	-1.7930
211	L	A	0.0000
212	Q	A	-0.9364
213	P	A	-0.8932
214	E	A	-1.9871
215	D	A	0.0000
216	I	A	-0.9193
217	A	A	0.0000
218	T	A	-1.0686
219	Y	A	0.0000
220	F	A	0.0000
221	C	A	0.0000
222	Q	A	0.0000
223	Q	A	0.0000
224	G	A	-0.9473
225	N	A	-1.6536
226	T	A	-1.3299
227	R	A	-2.1865
228	T	A	-1.4355
229	Y	A	0.0000
230	T	A	-0.8242
231	F	A	-0.3535
232	G	A	0.0000
233	G	A	-1.2639
234	G	A	0.0000
235	T	A	0.0000
236	K	A	-2.1338
237	V	A	0.0000
238	E	A	-1.8034
239	I	A	-1.0049
240	K	A	-1.6134