Project name: Wildtype_CA125 [mutate: MF232A]

Chain sequence(s)	A: IQLTQSPSSLAVSVGEKITMSCKSSQSLLYSGNQKNYLAWYQQKSGQSPKLLIYWTSTRKSGVPDRFTGSGSGTDFTLTISSVKAEDLAIYYCHQYYTYPWTFGGGTKLEIGGGGSGGGGSGGGGSVQLQQSGPELVKPGASVKMSCKASGYIFTDYYMKWVKQSHGRSLEWIGDINLNNGDTFYNQKFKGRATLTVDKSSSTAYMQLNSLTSEDSAVYYCARSDDYDYGMDYWGQGTTVTVS
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	MF232A
Energy difference between WT (input) and mutated protein (by FoldX)	15.1979 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:02:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:52)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:30)

• Minimal score value: -1.9466
• Maximal score value: 2.0535
• Average score: -0.2872
• Total score value: -69.7834

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
2	I	A	0.2467
3	Q	A	-1.1133
4	L	A	0.0000
5	T	A	-0.0923
6	Q	A	-0.1569
7	S	A	-0.2176
8	P	A	-0.2455
9	S	A	-0.2684
10	S	A	-0.2357
11	L	A	0.2293
12	A	A	-0.0013
13	V	A	0.1714
14	S	A	-0.0303
15	V	A	0.1460
16	G	A	-0.6298
17	E	A	-1.5190
18	K	A	-1.9237
19	I	A	0.0000
20	T	A	-0.0624
21	M	A	0.0000
22	S	A	-0.0686
23	C	A	0.0000
24	K	A	-1.6689
25	S	A	0.0000
26	S	A	-0.3368
27	Q	A	-1.2433
28	S	A	-0.3571
29	L	A	0.0000
30	L	A	0.7114
31	Y	A	0.9661
32	S	A	-0.1350
33	G	A	-0.6066
34	N	A	-0.8562
35	Q	A	-1.4945
36	K	A	-1.3168
37	N	A	-0.2187
38	Y	A	0.1036
39	L	A	0.0000
40	A	A	0.0000
41	W	A	0.0000
42	Y	A	0.0000
43	Q	A	0.0000
44	Q	A	0.0000
45	K	A	-0.5761
46	S	A	-0.3938
47	G	A	-0.7245
48	Q	A	-1.2877
49	S	A	-0.2421
50	P	A	0.0000
51	K	A	-1.2698
52	L	A	0.0000
53	L	A	0.0000
54	I	A	0.0000
55	Y	A	0.1702
56	W	A	0.2353
57	T	A	0.0000
58	S	A	-0.2163
59	T	A	-0.2344
60	R	A	-0.9320
61	K	A	-0.5143
62	S	A	-0.3536
63	G	A	-0.4628
64	V	A	0.1279
65	P	A	-0.3837
66	D	A	-1.8626
67	R	A	-0.6340
68	F	A	0.0000
69	T	A	-0.0487
70	G	A	0.0000
71	S	A	-0.2108
72	G	A	-0.3140
73	S	A	-0.2347
74	G	A	-0.0516
75	T	A	-0.3118
76	D	A	-1.6228
77	F	A	0.0000
78	T	A	-0.0316
79	L	A	0.0000
80	T	A	-0.0232
81	I	A	0.0000
82	S	A	-0.3226
83	S	A	-0.3330
84	V	A	0.0000
85	K	A	-0.6113
86	A	A	-0.3993
87	E	A	-1.8125
88	D	A	0.0000
89	L	A	0.6317
90	A	A	0.0000
91	I	A	0.3264
92	Y	A	0.0000
93	Y	A	0.0000
94	C	A	0.0000
95	H	A	0.0000
96	Q	A	0.0000
97	Y	A	0.0000
98	Y	A	0.7552
99	T	A	0.2550
100	Y	A	0.7936
101	P	A	0.1878
102	W	A	0.0000
103	T	A	-0.0167
104	F	A	0.0000
105	G	A	0.0000
106	G	A	-0.4775
107	G	A	0.0000
108	T	A	0.0000
109	K	A	-0.6963
110	L	A	0.0000
111	E	A	-1.1405
112	I	A	-0.0715
113	G	A	-0.4272
114	G	A	-0.6205
115	G	A	-0.6058
116	G	A	-0.5904
117	S	A	-0.3823
118	G	A	-0.5917
119	G	A	-0.6390
120	G	A	-0.6380
121	G	A	-0.5918
122	S	A	-0.3841
123	G	A	-0.5916
124	G	A	-0.6389
125	G	A	-0.6385
126	G	A	-0.5920
127	S	A	-0.2551
128	V	A	-0.0369
129	Q	A	-0.9432
130	L	A	0.0000
131	Q	A	-0.8254
132	Q	A	0.0000
133	S	A	-0.1271
134	G	A	-0.4784
135	P	A	-0.4338
136	E	A	-0.2832
137	L	A	1.4896
138	V	A	0.1818
139	K	A	-1.7085
140	P	A	-0.6468
141	G	A	-0.5402
142	A	A	-0.0922
143	S	A	-0.1816
144	V	A	0.0000
145	K	A	-1.7919
146	M	A	0.0000
147	S	A	-0.0246
148	C	A	0.0000
149	K	A	-0.9070
150	A	A	0.0000
151	S	A	-0.1465
152	G	A	-0.4051
153	Y	A	0.5061
154	I	A	2.0535
155	F	A	0.0000
156	T	A	-0.5175
157	D	A	-1.7937
158	Y	A	0.0000
159	Y	A	0.1782
160	M	A	0.0000
161	K	A	0.0000
162	W	A	0.0000
163	V	A	0.0000
164	K	A	-0.1975
165	Q	A	-0.1833
166	S	A	-0.2343
167	H	A	-1.0802
168	G	A	-0.9867
169	R	A	-1.9466
170	S	A	-0.4904
171	L	A	0.0000
172	E	A	-0.5185
173	W	A	0.0000
174	I	A	0.0000
175	G	A	0.0000
176	D	A	0.0000
177	I	A	0.0000
178	N	A	-0.2375
179	L	A	0.0000
180	N	A	-1.5078
181	N	A	-1.5571
182	G	A	-0.8305
183	D	A	-1.7474
184	T	A	-0.1696
185	F	A	0.9525
186	Y	A	0.5088
187	N	A	0.0000
188	Q	A	-1.5028
189	K	A	-1.9146
190	F	A	0.0000
191	K	A	-1.7842
192	G	A	-0.8689
193	R	A	-0.6079
194	A	A	0.0000
195	T	A	-0.0632
196	L	A	0.0000
197	T	A	-0.0152
198	V	A	0.1273
199	D	A	-0.8683
200	K	A	-1.8530
201	S	A	-0.5356
202	S	A	-0.1368
203	S	A	-0.2261
204	T	A	0.0000
205	A	A	0.0000
206	Y	A	0.2064
207	M	A	0.0000
208	Q	A	-0.9255
209	L	A	0.0000
210	N	A	-0.6039
211	S	A	-0.3778
212	L	A	0.0000
213	T	A	-0.0614
214	S	A	-0.5386
215	E	A	-1.8575
216	D	A	0.0000
217	S	A	-0.0749
218	A	A	0.0612
219	V	A	0.3662
220	Y	A	0.0000
221	Y	A	0.0000
222	C	A	0.0000
223	A	A	0.0000
224	R	A	0.0000
225	S	A	0.0000
226	D	A	0.0000
227	D	A	-1.5548
228	Y	A	0.8673
229	D	A	-0.4143
230	Y	A	0.2955
231	G	A	0.0000
232	F	A	0.0000	mutated: MF232A
233	D	A	0.0000
234	Y	A	0.2949
235	W	A	0.0000
236	G	A	0.0000
237	Q	A	-1.2098
238	G	A	-0.2817
239	T	A	0.0000
240	T	A	-0.0216
241	V	A	0.0000
242	T	A	-0.0443
243	V	A	0.0000
244	S	A	-0.2129