Project name: Wildtype_CA125

Chain sequence(s)	A: IQLTQSPSSLAVSVGEKITMSCKSSQSLLYSGNQKNYLAWYQQKSGQSPKLLIYWTSTRKSGVPDRFTGSGSGTDFTLTISSVKAEDLAIYYCHQYYTYPWTFGGGTKLEIGGGGSGGGGSGGGGSVQLQQSGPELVKPGASVKMSCKASGYIFTDYYMKWVKQSHGRSLEWIGDINLNNGDTFYNQKFKGRATLTVDKSSSTAYMQLNSLTSEDSAVYYCARSDDYDYGMDYWGQGTTVTVS
Selected Chain(s)	A
Distance of aggregation	5 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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:56)

• Minimal score value: -1.9465
• Maximal score value: 2.0495
• Average score: -0.2956
• Total score value: -71.8277

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	0.2541
3	Q	A	-1.1120
4	L	A	0.0000
5	T	A	-0.0923
6	Q	A	-0.1565
7	S	A	-0.2160
8	P	A	-0.2475
9	S	A	-0.2688
10	S	A	-0.2800
11	L	A	0.2293
12	A	A	-0.1013
13	V	A	0.0000
14	S	A	-0.0634
15	V	A	0.1548
16	G	A	-0.6059
17	E	A	-1.3976
18	K	A	-1.9021
19	I	A	0.0000
20	T	A	-0.0632
21	M	A	0.0000
22	S	A	-0.0674
23	C	A	0.0000
24	K	A	-1.7040
25	S	A	0.0000
26	S	A	-0.3356
27	Q	A	-1.2431
28	S	A	-0.3571
29	L	A	0.0000
30	L	A	0.7261
31	Y	A	0.9656
32	S	A	-0.1350
33	G	A	-0.6071
34	N	A	-0.8591
35	Q	A	-1.4981
36	K	A	-1.3108
37	N	A	0.0000
38	Y	A	0.1301
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	-0.5960
46	S	A	-0.3974
47	G	A	-0.7245
48	Q	A	-1.2921
49	S	A	-0.2658
50	P	A	0.0000
51	K	A	-1.7000
52	L	A	0.0000
53	L	A	0.0000
54	I	A	0.0000
55	Y	A	0.1722
56	W	A	0.2357
57	T	A	0.0000
58	S	A	-0.2057
59	T	A	-0.2292
60	R	A	-0.9019
61	K	A	-0.4456
62	S	A	-0.3417
63	G	A	-0.4694
64	V	A	0.0912
65	P	A	-0.3912
66	D	A	-1.8614
67	R	A	-0.6270
68	F	A	0.0000
69	T	A	-0.0460
70	G	A	0.0000
71	S	A	-0.2057
72	G	A	-0.3218
73	S	A	-0.2346
74	G	A	-0.0516
75	T	A	-0.3174
76	D	A	-1.6569
77	F	A	0.0000
78	T	A	-0.0324
79	L	A	0.0000
80	T	A	-0.0224
81	I	A	0.0000
82	S	A	-0.3269
83	S	A	-0.3347
84	V	A	0.0000
85	K	A	-0.5643
86	A	A	-0.3883
87	E	A	-1.8120
88	D	A	0.0000
89	L	A	0.7011
90	A	A	0.0000
91	I	A	0.1402
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	0.2613
100	Y	A	0.8275
101	P	A	0.1955
102	W	A	0.0000
103	T	A	-0.0161
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	-1.0390
110	L	A	0.0000
111	E	A	-1.7355
112	I	A	-0.1803
113	G	A	-0.4273
114	G	A	-0.6205
115	G	A	-0.6048
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	-0.2560
128	V	A	-0.0807
129	Q	A	-1.1543
130	L	A	0.0000
131	Q	A	-1.2783
132	Q	A	0.0000
133	S	A	-0.1181
134	G	A	-0.4581
135	P	A	-0.4156
136	E	A	-0.2078
137	L	A	1.5065
138	V	A	0.1986
139	K	A	-1.7054
140	P	A	-0.6468
141	G	A	-0.5402
142	A	A	-0.0924
143	S	A	-0.1820
144	V	A	0.0000
145	K	A	-1.7453
146	M	A	0.0000
147	S	A	-0.0240
148	C	A	0.0000
149	K	A	-0.9187
150	A	A	0.0000
151	S	A	-0.2033
152	G	A	-0.4203
153	Y	A	0.4839
154	I	A	2.0495
155	F	A	0.0000
156	T	A	-0.5175
157	D	A	-1.7937
158	Y	A	0.0000
159	Y	A	0.1806
160	M	A	0.0000
161	K	A	0.0000
162	W	A	0.0000
163	V	A	0.0000
164	K	A	-0.1997
165	Q	A	-0.1810
166	S	A	-0.2352
167	H	A	-1.0804
168	G	A	-0.9867
169	R	A	-1.9465
170	S	A	-0.4899
171	L	A	0.0000
172	E	A	-0.6094
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	-0.2358
179	L	A	0.0000
180	N	A	-1.5078
181	N	A	-1.5560
182	G	A	-0.8261
183	D	A	-1.7551
184	T	A	-0.1666
185	F	A	0.9764
186	Y	A	0.5149
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	-0.8724
193	R	A	-0.6274
194	A	A	0.0000
195	T	A	-0.0632
196	L	A	0.0000
197	T	A	-0.0133
198	V	A	0.1264
199	D	A	-0.8685
200	K	A	-1.8530
201	S	A	-0.5356
202	S	A	-0.1368
203	S	A	-0.2259
204	T	A	0.0000
205	A	A	0.0000
206	Y	A	0.2109
207	M	A	0.0000
208	Q	A	-0.8983
209	L	A	0.0000
210	N	A	-0.6068
211	S	A	-0.3784
212	L	A	0.0000
213	T	A	-0.0609
214	S	A	-0.5385
215	E	A	-1.8575
216	D	A	0.0000
217	S	A	-0.0739
218	A	A	0.0609
219	V	A	0.3653
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	0.8646
229	D	A	-0.4227
230	Y	A	0.3300
231	G	A	0.0000
232	M	A	0.0000
233	D	A	0.0000
234	Y	A	0.3106
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	-0.0148
241	V	A	0.0000
242	T	A	-0.0362
243	V	A	0.0000
244	S	A	-0.2129