Project name: T12502050004

Chain sequence(s)	A: EVQLVESGGGLVQAGGSLRLSCAASGRAFSFNNMAWFRQAPGKERDIVVAVSWTGDTTYYADAVKGRFAISRDDVKNMVYLQMNSLKPEDTAVYYCATQSAGGRSKYLAVREKYDYWGQGTQVTVSSGGGGSGGGGSGGGGSGGGGSQVQLVQSGGGSVQTGGSLRLSCAASGRTFSDYAMGWFRQAPGKEREFVAAINWSGSSTGSADSVKGRFTISRDNVKNTVYLQMNTLKPEDTAIYYCAATKGSNWYVKRETYDYWGQGTQVTVSSAAA
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
pH calculations	No
alphaCutter usage	No
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 minimization                                          (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:05:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:08)

• Minimal score value: -3.2582
• Maximal score value: 1.6975
• Average score: -0.7907
• Total score value: -216.6458

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	E	A	-2.6870
2	V	A	0.0000
3	Q	A	-1.6682
4	L	A	0.0000
5	V	A	1.2641
6	E	A	0.3621
7	S	A	-0.4788
8	G	A	-1.0749
9	G	A	-0.7175
10	G	A	0.0851
11	L	A	1.0743
12	V	A	0.0000
13	Q	A	-1.5034
14	A	A	-1.6326
15	G	A	-1.3797
16	G	A	-0.9515
17	S	A	-1.2402
18	L	A	-1.0239
19	R	A	-2.0833
20	L	A	0.0000
21	S	A	-0.3926
22	C	A	0.0000
23	A	A	-0.0792
24	A	A	0.0000
25	S	A	-1.6655
26	G	A	-2.3615
27	R	A	-2.4825
28	A	A	-0.6314
29	F	A	0.0000
30	S	A	0.6219
31	F	A	1.6975
32	N	A	0.0000
33	N	A	0.0000
34	M	A	0.0000
35	A	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	-1.1591
39	Q	A	0.0000
40	A	A	-1.6512
41	P	A	-1.0493
42	G	A	-1.9923
43	K	A	-2.8457
44	E	A	-3.2582
45	R	A	0.0000
46	D	A	-1.8818
47	I	A	0.0000
48	V	A	0.0000
49	V	A	0.0000
50	A	A	0.0000
51	V	A	0.0000
52	S	A	0.0000
53	W	A	0.4617
54	T	A	-0.2441
55	G	A	-1.1890
56	D	A	-1.8618
57	T	A	-1.0232
58	T	A	-0.1796
59	Y	A	0.0600
60	Y	A	-0.5135
61	A	A	-1.2096
62	D	A	-2.3013
63	A	A	-1.5395
64	V	A	0.0000
65	K	A	-2.4609
66	G	A	-1.7252
67	R	A	-1.5259
68	F	A	0.0000
69	A	A	-0.7383
70	I	A	0.0000
71	S	A	-0.4961
72	R	A	-0.7331
73	D	A	-1.0040
74	D	A	-0.7476
75	V	A	0.2328
76	K	A	-1.4807
77	N	A	-1.4423
78	M	A	-0.6036
79	V	A	0.0000
80	Y	A	-0.5379
81	L	A	0.0000
82	Q	A	-1.2336
83	M	A	0.0000
84	N	A	-1.4367
85	S	A	-1.1535
86	L	A	0.0000
87	K	A	-2.1149
88	P	A	-1.8290
89	E	A	-2.1958
90	D	A	0.0000
91	T	A	-0.9164
92	A	A	0.0000
93	V	A	0.0000
94	Y	A	0.0000
95	Y	A	0.0000
96	C	A	0.0000
97	A	A	0.0000
98	T	A	0.0000
99	Q	A	0.0000
100	S	A	-0.7438
101	A	A	-0.2568
102	G	A	-0.4553
103	G	A	-1.1202
104	R	A	-2.4820
105	S	A	-1.8044
106	K	A	-2.0306
107	Y	A	-1.2812
108	L	A	0.0000
109	A	A	-0.4287
110	V	A	-0.9217
111	R	A	-2.0397
112	E	A	-2.7625
113	K	A	-2.4939
114	Y	A	0.0000
115	D	A	-2.3494
116	Y	A	-1.1473
117	W	A	-0.4806
118	G	A	0.0000
119	Q	A	-0.2806
120	G	A	0.0000
121	T	A	-0.5787
122	Q	A	-0.8704
123	V	A	0.0000
124	T	A	-0.3265
125	V	A	0.0000
126	S	A	-0.9967
127	S	A	-1.2572
128	G	A	-1.6114
129	G	A	-1.3363
130	G	A	-1.2131
131	G	A	-1.1994
132	S	A	-1.0485
133	G	A	-1.1481
134	G	A	-1.1498
135	G	A	-1.1023
136	G	A	-1.1161
137	S	A	-0.8684
138	G	A	-1.0557
139	G	A	-1.1501
140	G	A	-1.1344
141	G	A	-1.1595
142	S	A	-1.0265
143	G	A	-1.1987
144	G	A	-1.2003
145	G	A	-1.3408
146	G	A	-1.5528
147	S	A	-1.8112
148	Q	A	-2.1086
149	V	A	-1.7942
150	Q	A	-1.4130
151	L	A	0.0000
152	V	A	0.9284
153	Q	A	0.2446
154	S	A	-0.4903
155	G	A	-0.9882
156	G	A	-0.9389
157	G	A	-0.7068
158	S	A	-0.6132
159	V	A	-0.8349
160	Q	A	-1.5830
161	T	A	-1.4897
162	G	A	-1.1911
163	G	A	-0.9700
164	S	A	-1.0940
165	L	A	-0.9767
166	R	A	-1.8471
167	L	A	0.0000
168	S	A	-0.3943
169	C	A	0.0000
170	A	A	-0.3131
171	A	A	-0.8141
172	S	A	-1.3249
173	G	A	-1.8214
174	R	A	-2.2269
175	T	A	-1.2051
176	F	A	0.0000
177	S	A	-0.8671
178	D	A	-1.7032
179	Y	A	0.0000
180	A	A	0.0000
181	M	A	0.0000
182	G	A	0.0000
183	W	A	0.0000
184	F	A	0.0000
185	R	A	0.0000
186	Q	A	0.0000
187	A	A	-1.5478
188	P	A	-0.9944
189	G	A	-1.6063
190	K	A	-2.8031
191	E	A	-3.2306
192	R	A	0.0000
193	E	A	-1.8340
194	F	A	-0.5144
195	V	A	0.0000
196	A	A	0.0000
197	A	A	0.0000
198	I	A	0.0000
199	N	A	-0.5287
200	W	A	-0.4787
201	S	A	-0.4817
202	G	A	-0.4587
203	S	A	-0.3409
204	S	A	-0.4447
205	T	A	-0.3459
206	G	A	-0.1960
207	S	A	-0.8896
208	A	A	-1.3205
209	D	A	-2.5917
210	S	A	-1.8346
211	V	A	0.0000
212	K	A	-2.7582
213	G	A	-1.8141
214	R	A	-1.5991
215	F	A	0.0000
216	T	A	-0.9234
217	I	A	0.0000
218	S	A	-0.4713
219	R	A	-0.6847
220	D	A	-0.9362
221	N	A	-0.8165
222	V	A	0.3260
223	K	A	-1.4877
224	N	A	-1.4444
225	T	A	0.0000
226	V	A	0.0000
227	Y	A	-0.5240
228	L	A	0.0000
229	Q	A	-1.2374
230	M	A	0.0000
231	N	A	-1.2653
232	T	A	-0.9839
233	L	A	0.0000
234	K	A	-1.8192
235	P	A	-1.6989
236	E	A	-2.1742
237	D	A	0.0000
238	T	A	-0.9942
239	A	A	0.0000
240	I	A	0.0000
241	Y	A	0.0000
242	Y	A	0.0000
243	C	A	0.0000
244	A	A	0.0000
245	A	A	0.0000
246	T	A	0.0000
247	K	A	-2.4465
248	G	A	-1.5689
249	S	A	-1.2616
250	N	A	-1.4814
251	W	A	-0.2994
252	Y	A	0.1522
253	V	A	0.5177
254	K	A	-1.7285
255	R	A	-2.3100
256	E	A	-2.7591
257	T	A	-1.8289
258	Y	A	0.0000
259	D	A	-2.3877
260	Y	A	-1.1817
261	W	A	-0.5601
262	G	A	0.0000
263	Q	A	-0.4667
264	G	A	0.0000
265	T	A	-0.5389
266	Q	A	-0.9048
267	V	A	0.0000
268	T	A	-0.8969
269	V	A	0.0000
270	S	A	-1.1172
271	S	A	-0.7868
272	A	A	-0.4483
273	A	A	-0.1266
274	A	A	0.0706