Project name: MFE23_wt

Chain sequence(s)	A: QVKLQQSGAELVRSGTSVKLSCTASGFNIKDSYMHWLRQGPEQGLEWIGWIDPENGDTEYAPKFQGKATFTTDTSSNTAYLQLSSLTSEDTAVYYCNEGTPTGPYYFDYWGQGTTVTVSSENVLTQSPAIMSASPGEKVTITCSASSSVSYMHWFQQKPGTSPKLWIYSTSNLASGVPARFSGSGSGTSYSLTISRMEAEDAATYYCQQRSSYPLTFGAGTKLELK
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                                          (00:04:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:25)

• Minimal score value: -3.5875
• Maximal score value: 1.1914
• Average score: -0.6122
• Total score value: -138.3564

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
27	Q	A	-1.6005
28	V	A	-1.5151
29	K	A	-2.3123
30	L	A	0.0000
31	Q	A	-1.8095
32	Q	A	0.0000
33	S	A	-0.9705
34	G	A	-0.7569
35	A	A	-0.1229
36	E	A	-0.3908
37	L	A	0.8271
38	V	A	-0.3261
39	R	A	-1.8339
40	S	A	-1.4442
41	G	A	-1.1653
42	T	A	-0.8884
43	S	A	-1.0898
44	V	A	0.0000
45	K	A	-2.0359
46	L	A	0.0000
47	S	A	-0.6781
48	C	A	0.0000
49	T	A	-1.0175
50	A	A	0.0000
51	S	A	-1.4348
52	G	A	-1.2943
53	F	A	-1.4459
54	N	A	-2.1432
55	I	A	0.0000
56	K	A	-3.0976
57	D	A	-2.8267
58	S	A	0.0000
59	Y	A	-0.6427
60	M	A	0.0000
61	H	A	0.0000
62	W	A	0.0000
63	L	A	0.0000
64	R	A	0.0000
65	Q	A	0.0000
66	G	A	-1.4596
67	P	A	-1.7610
68	E	A	-2.5572
69	Q	A	-2.2152
70	G	A	-1.3785
71	L	A	0.0000
72	E	A	-0.7884
73	W	A	0.0000
74	I	A	0.0000
75	G	A	0.0000
76	W	A	-0.2036
77	I	A	0.0000
78	D	A	-2.1740
79	P	A	0.0000
80	E	A	-3.5875
81	N	A	-3.0184
82	G	A	-2.4654
83	D	A	-2.6147
84	T	A	-1.2323
85	E	A	-0.7347
86	Y	A	-0.6872
87	A	A	0.0000
88	P	A	-1.6490
89	K	A	-2.3174
90	F	A	0.0000
91	Q	A	-2.1367
92	G	A	-1.5384
93	K	A	-1.4187
94	A	A	0.0000
95	T	A	-0.7696
96	F	A	0.0000
97	T	A	-0.8007
98	T	A	-1.2821
99	D	A	-1.8119
100	T	A	-1.6635
101	S	A	-0.8468
102	S	A	-0.9806
103	N	A	-1.2095
104	T	A	0.0000
105	A	A	0.0000
106	Y	A	-0.6289
107	L	A	0.0000
108	Q	A	-1.3902
109	L	A	0.0000
110	S	A	-0.9163
111	S	A	-0.8447
112	L	A	0.0000
113	T	A	-1.3109
114	S	A	-1.4433
115	E	A	-1.9608
116	D	A	0.0000
117	T	A	-0.5125
118	A	A	0.0000
119	V	A	0.0620
120	Y	A	0.0000
121	Y	A	0.0000
122	C	A	0.0000
123	N	A	0.0000
124	E	A	0.0000
125	G	A	0.0000
126	T	A	0.0400
127	P	A	-0.3491
128	T	A	-0.2824
129	G	A	-0.4577
130	P	A	-0.0174
131	Y	A	0.0000
132	Y	A	1.1914
133	F	A	0.9085
134	D	A	0.1684
135	Y	A	-0.3424
136	W	A	-0.7818
137	G	A	0.0000
138	Q	A	-1.7172
139	G	A	-0.7947
140	T	A	0.0000
141	T	A	-0.0319
142	V	A	0.0000
143	T	A	-0.1328
144	V	A	0.0000
145	S	A	-0.7622
146	S	A	-1.1080
162	E	A	-1.2193
163	N	A	-0.2075
164	V	A	1.0477
165	L	A	0.0000
166	T	A	0.2203
167	Q	A	0.0000
168	S	A	-0.0074
169	P	A	0.2934
170	A	A	0.5935
171	I	A	1.1131
172	M	A	0.2533
173	S	A	-0.7681
174	A	A	0.0000
175	S	A	-1.7686
176	P	A	-2.0853
177	G	A	-2.2803
178	E	A	-2.9846
179	K	A	-3.2032
180	V	A	0.0000
181	T	A	-0.5370
182	I	A	0.0000
183	T	A	-0.2661
184	C	A	0.0000
185	S	A	-0.1714
186	A	A	0.0868
187	S	A	-0.1911
188	S	A	-0.5128
189	S	A	-0.4812
190	V	A	0.0000
191	S	A	0.0866
192	Y	A	0.7919
193	M	A	0.0000
194	H	A	0.0000
195	W	A	0.0000
196	F	A	0.0000
197	Q	A	0.0000
198	Q	A	-1.2663
199	K	A	-1.8277
200	P	A	-1.0237
201	G	A	-1.0537
202	T	A	-1.1495
203	S	A	-1.0019
204	P	A	0.0000
205	K	A	-1.5509
206	L	A	0.0000
207	W	A	0.0000
208	I	A	0.0000
209	Y	A	0.3978
210	S	A	0.1940
211	T	A	-0.0669
212	S	A	-0.4904
213	N	A	-0.6914
214	L	A	-0.0098
215	A	A	0.0000
216	S	A	-0.1888
217	G	A	-0.4977
218	V	A	0.0000
219	P	A	-0.2232
220	A	A	-0.1502
221	R	A	-1.1065
222	F	A	0.0000
223	S	A	-0.4282
224	G	A	-0.4464
225	S	A	-0.4856
226	G	A	-0.3920
227	S	A	-0.3679
228	G	A	-0.4415
229	T	A	-0.4381
230	S	A	-0.5835
231	Y	A	0.0000
232	S	A	-0.3530
233	L	A	0.0000
234	T	A	-0.7991
235	I	A	0.0000
236	S	A	-2.1562
237	R	A	-3.3786
238	M	A	0.0000
239	E	A	-2.5367
240	A	A	-1.6516
241	E	A	-2.1687
242	D	A	0.0000
243	A	A	-1.5416
244	A	A	0.0000
245	T	A	-0.8687
246	Y	A	0.0000
247	Y	A	0.0000
248	C	A	0.0000
249	Q	A	0.0000
250	Q	A	0.0000
251	R	A	-0.0293
252	S	A	0.0094
253	S	A	-0.0709
254	Y	A	0.6640
255	P	A	0.0000
256	L	A	0.0000
257	T	A	0.0000
258	F	A	0.0000
259	G	A	0.0000
260	A	A	-0.3962
261	G	A	0.0000
262	T	A	0.0000
263	K	A	-0.7156
264	L	A	0.0000
265	E	A	-1.3063
266	L	A	-1.1672
267	K	A	-1.6695