Project name: 251

Status: done

Started: 2025-07-21 09:40:04
Chain sequence(s) A: QVQLVESGGGVVQPGGSLRLSCAASGVTLDNFGMHWVRRAPGKGLEWVAFIHYDGNNRFFVDSVRGRFIISRDNAKNTVFLQMNNLRIEDTAVYYCAKAGEPHGTILQFLEDGQYYYDTKGLNYHFYYMDVWGKGTTVTVSS
B: QSVLTQPPSMSAAPGRKVTISCSGSGSNIGNNYVSWYQHLPGTAPRLLIYEDNKRPSGIPDRFSGSKSGTSATLDIAGLHSGDEADYFCGTWDSSLSAGLFGGGTKLTVL
input PDB
Selected Chain(s) A,B
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations No
alphaCutter usage No
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:00)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:01:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:50)
Show buried residues

Minimal score value
-3.1995
Maximal score value
2.7772
Average score
-0.5006
Total score value
-126.1401

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 Q A -1.2625
2 V A -0.5211
3 Q A -0.9346
4 L A 0.0000
5 V A 0.5953
6 E A 0.0000
7 S A -0.5257
8 G A -0.9886
9 G A -0.3494
10 G A 0.3945
11 V A 1.4496
12 V A 0.3493
13 Q A -1.1012
14 P A -1.2450
15 G A -1.6037
16 G A -1.1509
17 S A -1.2103
18 L A -0.9434
19 R A -1.9234
20 L A 0.0000
21 S A -0.4184
22 C A 0.0000
23 A A -0.1274
24 A A 0.0000
25 S A -0.5129
26 G A -0.7393
27 V A -0.2879
28 T A -0.5411
29 L A 0.0000
30 D A -1.6797
31 N A -1.3478
32 F A -0.7799
33 G 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 R A -0.9351
40 A A -1.2857
41 P A -1.2156
42 G A -1.4819
43 K A -2.2995
44 G A -1.4711
45 L A 0.0000
46 E A -1.0373
47 W A 0.0000
48 V A 0.0000
49 A A 0.0000
50 F A 0.0000
51 I A 0.0000
52 H A -1.5557
53 Y A -1.6485
54 D A -2.8214
55 G A 0.0000
56 N A -2.5799
57 N A -2.4099
58 R A -1.6523
59 F A -0.4657
60 F A -0.4343
61 V A -0.8462
62 D A -2.1070
63 S A -1.5756
64 V A 0.0000
65 R A -2.0441
66 G A -1.3890
67 R A 0.0000
68 F A 0.0000
69 I A 0.6277
70 I A 0.0000
71 S A -0.4764
72 R A -1.1658
73 D A -1.6507
74 N A -1.9737
75 A A -1.3884
76 K A -2.1955
77 N A -1.5236
78 T A -0.9226
79 V A 0.0000
80 F A -0.2586
81 L A 0.0000
82 Q A -0.6366
83 M A 0.0000
84 N A -1.4030
85 N A -2.1564
86 L A 0.0000
87 R A -1.5694
88 I A 0.0510
89 E A -1.3806
90 D A 0.0000
91 T A -0.0999
92 A A 0.0000
93 V A 0.0333
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 A A 0.0000
100 G A 0.0000
101 E A -1.7155
102 P A -1.0566
103 H A -0.7914
104 G A -0.5567
105 T A 0.4980
106 I A 1.4035
107 L A 2.3402
108 Q A 1.9901
109 F A 2.1961
110 L A 0.2330
111 E A -2.1530
112 D A -2.5633
113 G A -1.5135
114 Q A -0.7591
115 Y A 1.9907
116 Y A 2.7772
117 Y A 2.4487
118 D A 0.9274
119 T A -0.0368
120 K A -0.7934
121 G A -0.0228
122 L A 0.1989
123 N A -0.2227
124 Y A 0.4334
125 H A 0.0000
126 F A 0.6326
127 Y A 0.6852
128 Y A 0.0000
129 M A 0.0000
130 D A -0.6982
131 V A -0.1611
132 W A 0.0000
133 G A 0.0000
134 K A -1.5517
135 G A 0.0000
136 T A -0.2926
137 T A 0.1598
138 V A 0.0000
139 T A 0.4095
140 V A 0.0000
141 S A -0.2003
142 S A -0.2611
1 Q B -0.9406
2 S B -0.1054
3 V B 1.1890
4 L B 0.0000
5 T B -0.1258
6 Q B 0.0000
7 P B -0.5900
8 P B -0.8669
9 S B -0.9414
10 M B -0.4588
11 S B -0.1560
12 A B -0.5778
13 A B -0.6846
14 P B -1.3465
15 G B -2.2425
16 R B -3.1995
17 K B -2.9696
18 V B 0.0000
19 T B -0.5672
20 I B 0.0000
21 S B -0.3297
22 C B 0.0000
23 S B -0.2215
24 G B -0.1265
25 S B -0.5939
26 G B -1.2673
27 S B -0.8231
28 N B 0.0000
29 I B 0.0000
30 G B -1.5353
31 N B -1.6687
32 N B 0.0000
33 Y B 0.0403
34 V B 0.0000
35 S B 0.0000
36 W B 0.0000
37 Y B 0.0000
38 Q B 0.0000
39 H B 0.0000
40 L B -0.2656
41 P B -0.2576
42 G B -0.7270
43 T B -0.7248
44 A B -0.8404
45 P B 0.0000
46 R B -0.8247
47 L B 0.0000
48 L B 0.0000
49 I B 0.0000
50 Y B -0.5937
51 E B 0.0000
52 D B -1.1344
53 N B -1.9955
54 K B -1.9799
55 R B -1.6853
56 P B -0.7276
57 S B -0.6508
58 G B -0.8173
59 I B -1.0254
60 P B -1.3681
61 D B -2.4123
62 R B -1.8795
63 F B 0.0000
64 S B -1.4744
65 G B -1.4183
66 S B -1.1659
67 K B -1.1702
68 S B -0.8623
69 G B -1.1593
70 T B -1.0681
71 S B -0.7525
72 A B 0.0000
73 T B -0.6066
74 L B 0.0000
75 D B -1.0883
76 I B 0.0000
77 A B -2.2120
78 G B -2.0551
79 L B 0.0000
80 H B -1.7207
81 S B -1.0152
82 G B -1.1316
83 D B 0.0000
84 E B -1.3880
85 A B -0.8834
86 D B 0.0000
87 Y B 0.0000
88 F B 0.0000
89 C B 0.0000
90 G B 0.0000
91 T B 0.0000
92 W B 0.0000
93 D B 0.0000
94 S B -0.2940
95 S B -0.0313
96 L B 0.6339
97 S B 0.1677
98 A B 0.0000
99 G B 0.2840
100 L B 0.4098
101 F B 0.0000
102 G B 0.0000
103 G B -1.0565
104 G B 0.0000
105 T B 0.0000
106 K B -1.8924
107 L B 0.0000
108 T B -0.5887
109 V B 0.0000
110 L B 1.1945
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