Project name: ANX [mutate: YD100D] [mutate: AG107D, DY100D] [mutate: YR100D, GA107D]

Chain sequence(s)	D: ISEVQLVESGGGLVQPGGSLRLSCAASGFNVYYSSIHWVRQAPGKGLEWVAYISPYYGSTSYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARSYYSSWPYGWVGHYRALDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKT
Selected Chain(s)	D
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	YR100D,GA107D
Energy difference between WT (input) and mutated protein (by FoldX)	0.1659 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 D 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                                                       (00:00:56)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:14)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:12)

• Minimal score value: -2.8088
• Maximal score value: 2.3229
• Average score: -0.4471
• Total score value: -105.5066

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
-1	I	D	0.9713
0	S	D	-0.3554
1	E	D	-1.7242
2	V	D	-0.7297
3	Q	D	-1.0678
4	L	D	0.0000
5	V	D	1.1739
6	E	D	0.3296
7	S	D	-0.1056
8	G	D	-0.7978
9	G	D	-0.2696
10	G	D	0.1572
11	L	D	0.2776
12	V	D	-0.3182
13	Q	D	-1.0754
14	P	D	-1.3240
15	G	D	-1.3451
16	G	D	-1.0380
17	S	D	-0.9536
18	L	D	-0.8145
19	R	D	-1.3263
20	L	D	0.0000
21	S	D	-0.1634
22	C	D	0.0000
23	A	D	-0.0247
24	A	D	-0.4992
25	S	D	-0.8661
26	G	D	-0.9464
27	F	D	-0.2312
28	N	D	-0.6155
29	V	D	0.0000
30	Y	D	1.1434
31	Y	D	1.5318
32	S	D	0.0000
33	S	D	0.0000
34	I	D	0.0000
35	H	D	0.0000
36	W	D	0.0000
37	V	D	0.0000
38	R	D	0.0000
39	Q	D	-0.4134
40	A	D	-1.0768
41	P	D	-0.8315
42	G	D	-1.4474
43	K	D	-2.0613
44	G	D	-0.9186
45	L	D	0.5934
46	E	D	-0.0608
47	W	D	0.4276
48	V	D	0.0000
49	A	D	0.0000
50	Y	D	0.0000
51	I	D	0.0000
52	S	D	0.0000
53	P	D	0.7294
54	Y	D	1.3527
55	Y	D	1.1698
56	G	D	0.1135
57	S	D	0.1537
58	T	D	0.0047
59	S	D	-0.3617
60	Y	D	-0.8425
61	A	D	-1.3523
62	D	D	-2.4965
63	S	D	-1.6892
64	V	D	0.0000
65	K	D	-2.6201
66	G	D	-1.7691
67	R	D	-1.2571
68	F	D	0.0000
69	T	D	-0.7083
70	I	D	0.0000
71	S	D	-0.2248
72	A	D	-0.4570
73	D	D	-1.0132
74	T	D	-0.8491
75	S	D	-1.3068
76	K	D	-2.1908
77	N	D	-1.4102
78	T	D	0.0000
79	A	D	0.0000
80	Y	D	-0.3275
81	L	D	0.0000
82	Q	D	-0.8856
83	M	D	0.0000
84	N	D	-1.4003
85	S	D	-1.3134
86	L	D	0.0000
87	R	D	-2.2231
88	A	D	-1.6756
89	E	D	-2.1936
90	D	D	0.0000
91	T	D	-0.6236
92	A	D	0.0000
93	V	D	0.6010
94	Y	D	0.0000
95	Y	D	0.5460
96	C	D	0.0000
97	A	D	0.0000
98	R	D	0.0000
99	S	D	0.0000
100	R	D	-0.1972	mutated: YR100D
101	Y	D	0.0000
102	S	D	-0.1290
103	S	D	0.2093
104	W	D	1.0139
105	P	D	0.3893
106	Y	D	0.8146
107	A	D	0.2797	mutated: GA107D
108	W	D	0.6069
109	V	D	-0.1490
110	G	D	0.0000
111	H	D	-0.8398
112	Y	D	-0.6259
113	R	D	-1.5297
114	A	D	-0.5604
115	L	D	-0.0385
116	D	D	-0.0582
117	Y	D	0.5917
118	W	D	0.4943
119	G	D	-0.0725
120	Q	D	-0.9079
121	G	D	0.0000
122	T	D	0.0000
123	L	D	0.9853
124	V	D	0.0000
125	T	D	0.0000
126	V	D	0.0000
127	S	D	-0.7503
128	S	D	-0.6676
129	A	D	-0.4184
130	S	D	-0.4935
131	T	D	-0.6319
132	K	D	-1.1834
133	G	D	-1.3700
134	P	D	-0.5286
135	S	D	-0.0736
136	V	D	0.0000
137	F	D	1.1803
138	P	D	0.0816
139	L	D	0.4098
140	A	D	-0.8459
141	P	D	0.0000
142	S	D	-1.1476
143	S	D	-1.2194
144	K	D	-1.8926
145	S	D	-1.0491
146	T	D	-1.0537
147	S	D	-0.9315
148	G	D	-0.8847
149	G	D	-0.9134
150	T	D	-0.6655
151	A	D	0.0000
152	A	D	-0.1673
153	L	D	0.0000
154	G	D	0.0000
155	C	D	0.0000
156	L	D	0.7065
157	V	D	0.0000
158	K	D	-0.1222
159	D	D	-0.3655
160	Y	D	0.0000
161	F	D	0.0000
162	P	D	0.0000
163	E	D	-0.8440
164	P	D	-0.8913
165	V	D	-0.5680
166	T	D	-0.5319
167	V	D	-0.2018
168	S	D	-0.3477
169	W	D	0.0000
170	N	D	-0.7645
171	S	D	-0.6197
172	G	D	-0.4222
173	A	D	-0.2179
174	L	D	0.0387
175	T	D	-0.2480
176	S	D	-0.3279
177	G	D	-0.4087
178	V	D	0.0158
179	H	D	-0.5554
180	T	D	0.0138
181	F	D	0.7237
182	P	D	0.4267
183	A	D	1.0571
184	V	D	2.3229
185	L	D	1.9026
186	Q	D	0.6628
187	S	D	0.0500
188	S	D	-0.1890
189	G	D	0.2722
190	L	D	0.2601
191	Y	D	0.6815
192	S	D	0.0000
193	L	D	0.0000
194	S	D	0.5650
195	S	D	0.0000
196	V	D	0.3563
197	V	D	0.0000
198	T	D	-0.2352
199	V	D	0.0000
200	P	D	-0.6076
201	S	D	-0.6857
202	S	D	-0.5927
203	S	D	-0.6452
204	L	D	-0.8426
205	G	D	-1.0381
206	T	D	-0.7430
207	Q	D	-1.3365
208	T	D	-1.1440
209	Y	D	0.0000
210	I	D	-1.1092
211	C	D	0.0000
212	N	D	-1.4237
213	V	D	0.0000
214	N	D	-1.7555
215	H	D	0.0000
216	K	D	-2.8088
217	P	D	-1.6754
218	S	D	-1.8272
219	N	D	-2.6029
220	T	D	-2.1847
221	K	D	-2.6305
222	V	D	-1.5967
223	D	D	-2.5486
224	K	D	-1.9078
225	K	D	-2.5012
226	V	D	0.0000
227	E	D	-2.6767
228	P	D	-1.5036
229	K	D	-2.0069
230	S	D	-1.4685
231	C	D	-1.0387
232	D	D	-2.4967
233	K	D	-2.5680
234	T	D	-1.4790