Project name: F2B_scFv [mutate: VN141A]

Status: done

Started: 2026-06-01 07:52:26
Chain sequence(s) A: EVQLVESGGGLVQPGRSLRLSCAASGFTFDDYAMHWVRQAPGKGLEWVSGISWNSGSIGYADSVKGRFTISRDNAKNSLYLQMNSLRAEDTALYYCAKDSRGYGDYRLGGAYWGQGTLVTVSSGGGGSGGGGSGGGGSEIVMTQSPATLSVSPGERATLSCRASQSVSSNLAWYQQKPGQAPRLLIYGASTRATGIPARFSGSGSGTEFTLTISSLQSEDFAVYYCQQYNNWPWTFGQGTKVEIK
input PDB
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 VN141A
Energy difference between WT (input) and mutated protein (by FoldX) -0.0334377 kcal/mol
Downloads Download all the data
Simulation log 
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:02)
[INFO]       FoldX:    Building mutant model                                                       (00:02:07)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:02:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:15)
Show buried residues
Minimal score value
-2.8685
Maximal score value
1.4811
Average score
-0.6902
Total score value
-169.0894
Download the table (csv)

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 E A -2.1974
2 V A -1.4114
3 Q A -1.3807
4 L A 0.0000
5 V A 1.1719
6 E A 0.0000
7 S A -0.2116
8 G A -0.8456
9 G A -0.0333
10 G A 0.5586
11 L A 1.4811
12 V A -0.2489
13 Q A -1.4725
14 P A -1.8672
15 G A -2.0603
16 R A -2.6837
17 S A -2.0738
18 L A -1.3048
19 R A -2.1245
20 L A 0.0000
21 S A -0.3694
22 C A 0.0000
23 A A -0.0426
24 A A 0.0000
25 S A -1.0693
26 G A -1.3430
27 F A -0.8162
28 T A -0.5969
29 F A 0.0000
30 D A -2.0056
31 D A -1.1454
32 Y A 0.0000
33 A A 0.0000
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 -0.7697
40 A A -1.1399
41 P A -1.0067
42 G A -1.4527
43 K A -2.4266
44 G A -1.6293
45 L A 0.0000
46 E A -1.2658
47 W A 0.0000
48 V A 0.0000
49 S A 0.0000
50 G A 0.0000
51 I A 0.0000
52 S A -0.3768
53 W A -1.0452
54 N A -1.6795
55 S A -0.9047
56 G A -0.6173
57 S A 0.1187
58 I A 1.1864
59 G A 0.3907
60 Y A -0.4685
61 A A -1.4211
62 D A -2.7080
63 S A -1.9988
64 V A 0.0000
65 K A -2.6179
66 G A -1.7726
67 R A -1.5759
68 F A 0.0000
69 T A -0.6875
70 I A 0.0000
71 S A -0.1952
72 R A -1.2010
73 D A -1.6620
74 N A -2.2162
75 A A -1.5643
76 K A -2.2792
77 N A -1.9355
78 S A 0.0000
79 L A 0.0000
80 Y A -0.5299
81 L A 0.0000
82 Q A -1.2950
83 M A 0.0000
84 N A -1.9819
85 S A -1.7291
86 L A 0.0000
87 R A -2.3225
88 A A -1.6705
89 E A -2.3882
90 D A 0.0000
91 T A -0.4174
92 A A 0.0000
93 L A 0.5096
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 K A 0.0000
99 D A 0.0000
100 S A 0.0000
101 R A -0.8925
102 G A -0.3821
103 Y A 0.6628
104 G A -0.1075
105 D A -0.3045
106 Y A 0.2342
107 R A -1.3592
108 L A -0.4460
109 G A -0.4856
110 G A 0.0000
111 A A 0.0000
112 Y A 0.0126
113 W A -0.1679
114 G A 0.0000
115 Q A -1.0969
116 G A 0.0000
117 T A 0.3948
118 L A 1.1264
119 V A 0.0000
120 T A 0.3763
121 V A 0.0000
122 S A -0.8022
123 S A -0.9925
124 G A -1.0931
125 G A -1.1046
126 G A -1.1643
127 G A -1.1640
128 S A -0.9288
129 G A -1.3672
130 G A -1.3838
131 G A -1.4875
132 G A -1.1202
133 S A -1.0105
134 G A -1.1428
135 G A -1.7005
136 G A -1.5270
137 G A -1.6145
138 S A -1.5548
139 E A -2.2931
140 I A 0.0000
141 N A -2.2799 mutated: VN141A
142 M A 0.0000
143 T A -1.4063
144 Q A 0.0000
145 S A -0.7018
146 P A -0.3245
147 A A -0.4665
148 T A -0.4757
149 L A -0.1690
150 S A -0.3728
151 V A 0.0000
152 S A -1.2021
153 P A -1.4397
154 G A -1.9317
155 E A -2.7676
156 R A -2.8685
157 A A 0.0000
158 T A -0.5487
159 L A 0.0000
160 S A -0.9102
161 C A 0.0000
162 R A -2.7632
163 A A 0.0000
164 S A -2.0299
165 Q A -2.2540
166 S A -1.5199
167 V A 0.0000
168 S A -0.9917
169 S A -0.8810
170 N A -0.8519
171 L A 0.0000
172 A A 0.0000
173 W A 0.0000
174 Y A 0.0000
175 Q A 0.0000
176 Q A 0.0000
177 K A -1.4865
178 P A -1.0275
179 G A -1.4718
180 Q A -2.1413
181 A A -1.4122
182 P A 0.0000
183 R A -1.2937
184 L A -0.4300
185 L A 0.0000
186 I A 0.0000
187 Y A -0.2405
188 G A -0.5380
189 A A 0.0000
190 S A -0.7008
191 T A -0.6479
192 R A -0.9831
193 A A 0.0000
194 T A -0.6081
195 G A -0.5447
196 I A -0.4553
197 P A -0.3244
198 A A -0.3278
199 R A -0.6702
200 F A 0.0000
201 S A -0.5315
202 G A 0.0000
203 S A -0.7709
204 G A -1.2972
205 S A -1.3006
206 G A -1.4020
207 T A -1.9899
208 E A -2.7414
209 F A 0.0000
210 T A -0.8736
211 L A 0.0000
212 T A -0.5997
213 I A 0.0000
214 S A -1.4413
215 S A -1.7851
216 L A 0.0000
217 Q A -1.5489
218 S A -0.8875
219 E A -1.4836
220 D A 0.0000
221 F A -0.1912
222 A A 0.0000
223 V A -0.3024
224 Y A 0.0000
225 Y A 0.0000
226 C A 0.0000
227 Q A 0.0000
228 Q A 0.0000
229 Y A 0.0000
230 N A -1.0585
231 N A -1.0686
232 W A -0.1613
233 P A -0.6275
234 W A 0.0000
235 T A 0.0000
236 F A -0.5515
237 G A 0.0000
238 Q A -1.7912
239 G A 0.0000
240 T A 0.0000
241 K A -1.1945
242 V A 0.0000
243 E A -0.1860
244 I A 0.8115
245 K A -0.9286
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