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

Chain sequence(s)	D: ISEVQLVESGGGLVQPGGSLRLSCAASGFNVYYSSIHWVRQAPGKGLEWVAYISPYYGSTSYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARSDYSSWPYAWVGHYRALDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKT
Selected Chain(s)	D
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	DY100D,AG107D
Energy difference between WT (input) and mutated protein (by FoldX)	0.0760447 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                                                       (00:01:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:23)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:22)

• Minimal score value: -2.8091
• Maximal score value: 2.3229
• Average score: -0.4375
• Total score value: -103.2398

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	1.1328
0	S	D	-0.3325
1	E	D	-1.7108
2	V	D	-0.7136
3	Q	D	-1.0617
4	L	D	0.0000
5	V	D	1.1739
6	E	D	0.3264
7	S	D	-0.1091
8	G	D	-0.8016
9	G	D	-0.2796
10	G	D	0.1472
11	L	D	0.2721
12	V	D	-0.3184
13	Q	D	-1.0755
14	P	D	-1.3247
15	G	D	-1.3464
16	G	D	-1.0399
17	S	D	-0.9539
18	L	D	-0.8132
19	R	D	-1.3219
20	L	D	0.0000
21	S	D	-0.1606
22	C	D	0.0000
23	A	D	-0.0226
24	A	D	-0.4980
25	S	D	-0.8606
26	G	D	-0.9349
27	F	D	-0.1322
28	N	D	-0.5441
29	V	D	0.0000
30	Y	D	1.1430
31	Y	D	1.6519
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	-0.4176
40	A	D	-1.0806
41	P	D	-0.8354
42	G	D	-1.4474
43	K	D	-2.0613
44	G	D	-0.9186
45	L	D	0.5933
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	1.1482
56	G	D	0.1135
57	S	D	0.1576
58	T	D	0.0074
59	S	D	-0.3591
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	-1.7699
67	R	D	-1.2571
68	F	D	0.0000
69	T	D	-0.7037
70	I	D	0.0000
71	S	D	-0.2217
72	A	D	-0.4551
73	D	D	-1.0112
74	T	D	-0.8481
75	S	D	-1.3056
76	K	D	-2.1885
77	N	D	-1.4052
78	T	D	0.0000
79	A	D	0.0000
80	Y	D	-0.3209
81	L	D	0.0000
82	Q	D	-0.8731
83	M	D	0.0000
84	N	D	-1.4031
85	S	D	-1.3151
86	L	D	0.0000
87	R	D	-2.2239
88	A	D	-1.6757
89	E	D	-2.1936
90	D	D	0.0000
91	T	D	-0.6294
92	A	D	0.0000
93	V	D	0.5851
94	Y	D	0.0000
95	Y	D	0.5416
96	C	D	0.0000
97	A	D	0.0000
98	R	D	0.0000
99	S	D	0.0000
100	Y	D	0.5223	mutated: DY100D
101	Y	D	0.0000
102	S	D	0.0223
103	S	D	0.2526
104	W	D	0.9713
105	P	D	0.3275
106	Y	D	0.7911
107	G	D	0.1486	mutated: AG107D
108	W	D	0.6018
109	V	D	-0.0570
110	G	D	0.0000
111	H	D	-0.6817
112	Y	D	-0.4316
113	R	D	-1.4356
114	A	D	-0.4462
115	L	D	0.1161
116	D	D	0.1327
117	Y	D	0.7118
118	W	D	0.4947
119	G	D	-0.0725
120	Q	D	-0.9081
121	G	D	0.0000
122	T	D	0.0000
123	L	D	0.9528
124	V	D	0.0000
125	T	D	0.0000
126	V	D	0.0000
127	S	D	-0.7504
128	S	D	-0.6676
129	A	D	-0.4184
130	S	D	-0.4935
131	T	D	-0.6320
132	K	D	-1.1835
133	G	D	-1.3702
134	P	D	-0.5286
135	S	D	-0.0736
136	V	D	0.0000
137	F	D	1.1803
138	P	D	0.0812
139	L	D	0.4103
140	A	D	-0.8454
141	P	D	0.0000
142	S	D	-1.1465
143	S	D	-1.2188
144	K	D	-1.8922
145	S	D	-1.0487
146	T	D	-1.0535
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	-0.1667
153	L	D	0.0000
154	G	D	0.0000
155	C	D	0.0000
156	L	D	0.7068
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	-0.8484
164	P	D	-0.8950
165	V	D	-0.5681
166	T	D	-0.5319
167	V	D	-0.2016
168	S	D	-0.3489
169	W	D	0.0000
170	N	D	-0.7673
171	S	D	-0.6213
172	G	D	-0.4237
173	A	D	-0.2193
174	L	D	0.0353
175	T	D	-0.2494
176	S	D	-0.3286
177	G	D	-0.4088
178	V	D	0.0158
179	H	D	-0.5548
180	T	D	0.0143
181	F	D	0.7240
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	0.5654
195	S	D	0.0000
196	V	D	0.3582
197	V	D	0.0000
198	T	D	-0.2348
199	V	D	0.0000
200	P	D	-0.6051
201	S	D	-0.6831
202	S	D	-0.5898
203	S	D	-0.6377
204	L	D	-0.8350
205	G	D	-1.0311
206	T	D	-0.7312
207	Q	D	-1.3124
208	T	D	-1.1338
209	Y	D	0.0000
210	I	D	-1.1155
211	C	D	0.0000
212	N	D	-1.4252
213	V	D	0.0000
214	N	D	-1.7556
215	H	D	0.0000
216	K	D	-2.8091
217	P	D	-1.6760
218	S	D	-1.8275
219	N	D	-2.6031
220	T	D	-2.1848
221	K	D	-2.6305
222	V	D	-1.5973
223	D	D	-2.5501
224	K	D	-1.9098
225	K	D	-2.5037
226	V	D	0.0000
227	E	D	-2.6745
228	P	D	-1.5033
229	K	D	-2.0066
230	S	D	-1.4684
231	C	D	-1.0386
232	D	D	-2.4967
233	K	D	-2.5680
234	T	D	-1.4790