Project name: e76a5e1843211cb [mutate: IR175A]

Status: done

Started: 2026-02-25 21:02:23
Chain sequence(s) A: MKHDHFVVQSPDKPAQQLLLLFHGVGDNPVAMGEIGNWFAPLFPDALVVSVGGAEPSGNPAGRQWFSVQGITEDNRQARVDAIMPTFIETVRYWQKQSGVGANATALIGFSQGAIMVLESIKAEPGLASRVIAFNGRYASLPETASTATTIHLIHGGEDPVIDLAHAVAAQEALISAGGDVTLDIVEDLGHAIDNRSMQFALDHLRYTIPKHYFDEALSGGKPGDDDVIEMM
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 IR175A
Energy difference between WT (input) and mutated protein (by FoldX) -0.127883 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                                          (00:00:03)
[INFO]       FoldX:    Building mutant model                                                       (00:03:39)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:03:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:56)
Show buried residues
Minimal score value
-3.14
Maximal score value
2.2714
Average score
-0.6228
Total score value
-144.487
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 M A -0.3574
2 K A -1.7113
3 H A -1.6000
4 D A -1.7238
5 H A -0.3382
6 F A 1.2195
7 V A 1.6013
8 V A 0.5392
9 Q A -0.3338
10 S A -0.9148
11 P A -2.0951
12 D A -2.8434
13 K A -2.8708
14 P A -1.9289
15 A A -1.9616
16 Q A -1.6115
17 Q A -1.2463
18 L A 0.0000
19 L A 0.0000
20 L A 0.0000
21 L A 0.0000
22 F A 0.0000
23 H A 0.0000
24 G A 0.0000
25 V A 0.2995
26 G A -0.7274
27 D A -0.6229
28 N A -0.2209
29 P A 0.0000
30 V A 1.4558
31 A A 0.2404
32 M A 0.0000
33 G A 0.0000
34 E A -1.4432
35 I A -0.5289
36 G A 0.0000
37 N A -1.4003
38 W A -0.3055
39 F A 0.0000
40 A A -0.2999
41 P A -0.2003
42 L A 0.1979
43 F A -0.2523
44 P A -0.9518
45 D A -2.0194
46 A A 0.0000
47 L A 0.0000
48 V A 0.0000
49 V A 0.0000
50 S A 0.0000
51 V A 0.0000
52 G A 0.0000
53 G A 0.0000
54 A A -1.1895
55 E A -1.7757
56 P A -1.5242
57 S A -1.2557
58 G A -1.3495
59 N A -1.4668
60 P A -0.8941
61 A A -0.5459
62 G A 0.0000
63 R A -1.5391
64 Q A -0.7100
65 W A 0.0000
66 F A 0.0000
67 S A -0.4380
68 V A 0.2888
69 Q A -0.8957
70 G A -0.7014
71 I A -0.8375
72 T A -1.6975
73 E A -2.8264
74 D A -2.9286
75 N A -1.9819
76 R A -1.8402
77 Q A -1.6329
78 A A -1.5391
79 R A -1.2559
80 V A 0.0000
81 D A -1.9720
82 A A -0.9506
83 I A -0.5885
84 M A 0.0000
85 P A -0.9947
86 T A -0.7766
87 F A 0.0000
88 I A -0.8745
89 E A -1.7300
90 T A 0.0000
91 V A 0.0000
92 R A -1.6438
93 Y A -1.1439
94 W A 0.0000
95 Q A 0.0000
96 K A -2.4919
97 Q A -2.0226
98 S A -1.6275
99 G A -1.6916
100 V A 0.0000
101 G A -1.5251
102 A A -0.9967
103 N A -1.9059
104 A A -1.0190
105 T A 0.0000
106 A A 0.0000
107 L A 0.0000
108 I A 0.0000
109 G A 0.0000
110 F A 0.4255
111 S A 0.0000
112 Q A 0.0000
113 G A 0.0000
114 A A 0.0000
115 I A 0.0000
116 M A 0.0000
117 V A 0.0000
118 L A 0.0000
119 E A 0.0000
120 S A 0.0000
121 I A 0.0000
122 K A -0.8183
123 A A -0.8587
124 E A -1.0772
125 P A -0.8298
126 G A -0.8212
127 L A 0.0000
128 A A 0.0000
129 S A -0.6984
130 R A -0.4461
131 V A 0.0000
132 I A 0.0000
133 A A 0.0000
134 F A 0.0000
135 N A 0.0000
136 G A 0.0000
137 R A 0.0000
138 Y A 0.0000
139 A A 0.0000
140 S A -0.5291
141 L A 0.0927
142 P A 0.0000
143 E A -1.7598
144 T A -1.2376
145 A A -1.0449
146 S A -0.5129
147 T A -0.7532
148 A A -0.5082
149 T A 0.0000
150 T A 0.0000
151 I A 0.0000
152 H A 0.0000
153 L A 0.0000
154 I A 0.0000
155 H A 0.0000
156 G A 0.0000
157 G A -2.1688
158 E A -2.8535
159 D A 0.0000
160 P A -0.4245
161 V A 0.9290
162 I A 0.0000
163 D A -1.5728
164 L A -0.4934
165 A A -0.2376
166 H A -0.5204
167 A A 0.0000
168 V A 0.3730
169 A A -0.2842
170 A A 0.0000
171 Q A -1.2123
172 E A -2.2709
173 A A -1.6635
174 L A 0.0000
175 R A -2.7636 mutated: IR175A
176 S A -2.0275
177 A A -1.7365
178 G A -1.6285
179 G A -1.4543
180 D A -1.1535
181 V A 0.0000
182 T A -0.2001
183 L A 0.3866
184 D A 0.2708
185 I A 0.2212
186 V A 0.0000
187 E A -2.9387
188 D A -3.1400
189 L A 0.0000
190 G A -1.5493
191 H A -0.3253
192 A A 0.1822
193 I A -0.1795
194 D A -1.1906
195 N A -1.7956
196 R A -1.6231
197 S A 0.0000
198 M A 0.0000
199 Q A -1.3767
200 F A -0.4516
201 A A 0.0000
202 L A 0.0000
203 D A -0.7993
204 H A -0.0933
205 L A 0.0000
206 R A -0.2505
207 Y A 1.0396
208 T A 1.0069
209 I A 2.2714
210 P A 0.0000
211 K A -0.6731
212 H A -0.5591
213 Y A 0.2655
214 F A 0.8281
215 D A -1.4702
216 E A -2.1946
217 A A -0.6014
218 L A 0.6224
219 S A -0.8234
220 G A -1.3589
221 G A -2.1072
222 K A -2.8109
223 P A -2.4455
224 G A -2.7703
225 D A -2.9536
226 D A -2.8770
227 D A -1.8704
228 V A 0.4421
229 I A 0.8338
230 E A 0.0601
231 M A 1.3022
232 M A 1.1981
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