Project name: 5420b1ef4248f4e [mutate: EG1A]

Chain sequence(s)	A: EVQLVESGGALVKPGGSLRLSCAASGFTFTEAWMHWVRQAPGKQLEWVAQIKDRSQTYATYYAESVKGRFTISRDDSKNTLYLQMNSLKTEDTAVYYCRGVYYANAPFDYWGQGTLVTVSSGGGGSGGGGSGGGGSDIVMTQSPLSLPVTPGEPASISCRSSQSLVHNTGNTYLSWYLQKPGQSPQSLIYKVSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCGQGTQAPFTFGSGTKVEIK
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
pH calculations	No
alphaCutter usage	No
Dynamic mode	No
Automated mutations	No
Mutated residues	EG1A
Energy difference between WT (input) and mutated protein (by FoldX)	0.642251 kcal/mol

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]       FoldX:    Building mutant model                                                       (00:01:15)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:01:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:21)

• Minimal score value: -3.2963
• Maximal score value: 1.8386
• Average score: -0.6651
• Total score value: -164.9517

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	G	A	-0.7803	mutated: EG1A
2	V	A	-0.5976
3	Q	A	-0.9936
4	L	A	0.0000
5	V	A	0.9119
6	E	A	0.0000
7	S	A	-0.1533
8	G	A	-0.6399
9	G	A	0.3369
10	A	A	0.8617
11	L	A	1.4110
12	V	A	-0.2150
13	K	A	-1.8218
14	P	A	-1.6906
15	G	A	-1.4031
16	G	A	-1.0255
17	S	A	-1.2498
18	L	A	-0.7613
19	R	A	-1.8345
20	L	A	0.0000
21	S	A	-0.3549
22	C	A	0.0000
23	A	A	-0.1859
24	A	A	0.0000
25	S	A	-0.8424
26	G	A	-0.7966
27	F	A	-0.4429
28	T	A	-0.5685
29	F	A	0.0000
30	T	A	-1.3884
31	E	A	-1.8005
32	A	A	0.0000
33	W	A	-0.1881
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	-0.7004
40	A	A	-1.1232
41	P	A	-1.0746
42	G	A	-1.5371
43	K	A	-2.4281
44	Q	A	-1.7307
45	L	A	0.0000
46	E	A	-1.0907
47	W	A	0.0000
48	V	A	0.0000
49	A	A	0.0000
50	Q	A	0.0000
51	I	A	0.0000
52	K	A	-0.7481
53	D	A	0.0000
54	R	A	-2.3720
55	S	A	-1.6535
56	Q	A	-1.5034
57	T	A	-1.0064
58	Y	A	-0.5312
59	A	A	-0.2520
60	T	A	0.2126
61	Y	A	0.1605
62	Y	A	-0.6000
63	A	A	-1.2894
64	E	A	-2.6671
65	S	A	-1.9839
66	V	A	0.0000
67	K	A	-2.5130
68	G	A	-1.7342
69	R	A	-1.5285
70	F	A	0.0000
71	T	A	-0.7657
72	I	A	0.0000
73	S	A	-0.3192
74	R	A	-0.8550
75	D	A	-1.4850
76	D	A	-1.8081
77	S	A	-1.4922
78	K	A	-2.3384
79	N	A	-1.6903
80	T	A	-0.9817
81	L	A	0.0000
82	Y	A	-0.5449
83	L	A	0.0000
84	Q	A	-1.2275
85	M	A	0.0000
86	N	A	-1.3480
87	S	A	-1.1691
88	L	A	0.0000
89	K	A	-2.0695
90	T	A	-1.9334
91	E	A	-2.5021
92	D	A	0.0000
93	T	A	-0.2751
94	A	A	0.0000
95	V	A	0.9011
96	Y	A	0.0000
97	Y	A	0.0000
98	C	A	0.0000
99	R	A	0.0000
100	G	A	0.0000
101	V	A	0.0000
102	Y	A	0.1017
103	Y	A	0.1007
104	A	A	-0.4796
105	N	A	-1.1084
106	A	A	-0.3810
107	P	A	-0.1144
108	F	A	0.4265
109	D	A	0.0000
110	Y	A	0.2494
111	W	A	0.0000
112	G	A	0.0000
113	Q	A	-1.2737
114	G	A	0.0000
115	T	A	0.6855
116	L	A	1.8386
117	V	A	0.0000
118	T	A	0.4578
119	V	A	0.0000
120	S	A	-1.1775
121	S	A	-1.2504
122	G	A	-1.1002
123	G	A	-1.1339
124	G	A	-1.1691
125	G	A	-1.1856
126	S	A	-0.9873
127	G	A	-1.4089
128	G	A	-1.4951
129	G	A	-1.5099
130	G	A	-1.3978
131	S	A	-1.2154
132	G	A	-1.1683
133	G	A	-1.6836
134	G	A	-1.4912
135	G	A	-1.6233
136	S	A	-1.0542
137	D	A	-1.4009
138	I	A	0.0000
139	V	A	0.8358
140	M	A	0.0000
141	T	A	-0.3539
142	Q	A	0.0000
143	S	A	-0.1292
144	P	A	0.3713
145	L	A	1.2127
146	S	A	0.1233
147	L	A	-0.2238
148	P	A	-0.9754
149	V	A	0.0000
150	T	A	-1.4661
151	P	A	-1.7047
152	G	A	-1.9533
153	E	A	-2.3758
154	P	A	-2.1513
155	A	A	0.0000
156	S	A	-0.7165
157	I	A	0.0000
158	S	A	-0.8511
159	C	A	0.0000
160	R	A	-2.3233
161	S	A	0.0000
162	S	A	-0.9393
163	Q	A	-1.4229
164	S	A	-0.7794
165	L	A	0.0000
166	V	A	0.6461
167	H	A	-0.4969
168	N	A	-1.2513
169	T	A	-0.8110
170	G	A	-0.6696
171	N	A	-0.4723
172	T	A	-0.0296
173	Y	A	0.0585
174	L	A	0.0000
175	S	A	0.0000
176	W	A	0.0000
177	Y	A	0.0000
178	L	A	0.0000
179	Q	A	0.0000
180	K	A	-1.6841
181	P	A	-1.1102
182	G	A	-1.5197
183	Q	A	-2.1633
184	S	A	-1.4157
185	P	A	0.0000
186	Q	A	-0.9310
187	S	A	0.0000
188	L	A	0.0000
189	I	A	0.0000
190	Y	A	-0.4640
191	K	A	-0.7589
192	V	A	-0.6109
193	S	A	-0.9571
194	N	A	-1.4390
195	R	A	-1.9255
196	A	A	-0.8714
197	S	A	-0.7182
198	G	A	-0.8917
199	V	A	-0.9828
200	P	A	-1.2799
201	D	A	-2.3967
202	R	A	-2.0782
203	F	A	0.0000
204	S	A	-1.3013
205	G	A	0.0000
206	S	A	-0.7700
207	G	A	-1.0284
208	S	A	-0.6717
209	G	A	-0.7118
210	T	A	-1.4932
211	D	A	-2.1442
212	F	A	0.0000
213	T	A	-0.9812
214	L	A	0.0000
215	K	A	-1.5147
216	I	A	0.0000
217	S	A	-2.2841
218	R	A	-3.2963
219	V	A	0.0000
220	E	A	-2.5962
221	A	A	-1.4398
222	E	A	-2.2306
223	D	A	0.0000
224	V	A	-0.8647
225	G	A	0.0000
226	V	A	-0.1060
227	Y	A	0.0000
228	Y	A	0.0000
229	C	A	0.0000
230	G	A	0.0000
231	Q	A	0.0000
232	G	A	-0.4149
233	T	A	0.0000
234	Q	A	-1.1328
235	A	A	-0.6029
236	P	A	-0.8645
237	F	A	0.0000
238	T	A	-0.1367
239	F	A	0.0000
240	G	A	0.0000
241	S	A	-0.3562
242	G	A	0.0000
243	T	A	0.0000
244	K	A	-0.5010
245	V	A	0.0000
246	E	A	-1.2316
247	I	A	-0.7756
248	K	A	-1.6930