Project name: 261

Status: done

Started: 2025-07-21 09:43:38
Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCTASGFMFSSYAINWVRQAPGKGLEYVSGISSNGGSTSYAKSVKGRITISRDNSKNKVYLQMGSLRGEDMGVYYCARNSRLGQLKLFPGKREAPNYSYYAMDVWGQGTTVTVSS
B: IQMTQSPSSLSASVGDRVTITCRASQSIGTYLNWFQQKAGKAPRLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFTTYFCQQNFNSPDTFGQGTKLEIK
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                                          (00:01:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:56)
Show buried residues

Minimal score value
-2.6014
Maximal score value
1.2976
Average score
-0.608
Total score value
-146.5251

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 -1.7351
2 V A -0.3704
3 Q A -0.6973
4 L A 0.0000
5 V A 0.4858
6 E A 0.0000
7 S A -0.4902
8 G A -0.9075
9 G A -0.3056
10 G A 0.3709
11 L A 1.2976
12 V A 0.0753
13 Q A -1.2469
14 P A -1.2363
15 G A -1.2603
16 G A -0.7622
17 S A -0.8309
18 L A -0.6617
19 R A -1.6732
20 L A 0.0000
21 S A -0.4748
22 C A 0.0000
23 T A -0.3729
24 A A 0.0000
25 S A -0.4469
26 G A -0.6602
27 F A 0.2323
28 M A 0.9441
29 F A 0.0000
30 S A -0.8172
31 S A -0.2178
32 Y A -0.3665
33 A A -0.5597
34 I A 0.0000
35 N A -0.1936
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -0.8048
40 A A -1.2420
41 P A -0.9592
42 G A -1.4634
43 K A -2.3854
44 G A -1.6607
45 L A 0.0000
46 E A -1.2087
47 Y 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 -0.8412
53 S A -1.0747
54 N A -1.8167
55 G A -1.3609
56 G A -1.1333
57 S A -0.7856
58 T A -0.3338
59 S A -0.5493
60 Y A -1.0098
61 A A 0.0000
62 K A -2.3536
63 S A -1.7376
64 V A 0.0000
65 K A -2.6014
66 G A -1.7621
67 R A -1.3486
68 I A 0.0000
69 T A -0.8512
70 I A 0.0000
71 S A -0.6047
72 R A -1.3747
73 D A -1.8421
74 N A -1.9335
75 S A -1.6731
76 K A -2.5047
77 N A -1.7653
78 K A -1.4777
79 V A 0.0000
80 Y A -0.6181
81 L A 0.0000
82 Q A -1.1817
83 M A 0.0000
84 G A -1.0063
85 S A -1.0560
86 L A 0.0000
87 R A -2.0903
88 G A -1.9576
89 E A -2.2765
90 D A 0.0000
91 M A -0.4972
92 G A 0.0000
93 V A 0.1206
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 R A -0.4164
99 N A -0.4681
100 S A 0.0000
101 R A -1.7859
102 L A -0.8939
103 G A -1.0146
104 Q A -1.6539
105 L A -0.6253
106 K A -0.7600
107 L A 0.8527
108 F A 1.2280
109 P A -0.0306
110 G A -1.2055
111 K A -2.2011
112 R A -2.5213
113 E A -1.5707
114 A A -0.9233
115 P A -0.8628
116 N A -1.2517
117 Y A 0.0086
118 S A -0.5321
119 Y A 0.0000
120 Y A 0.0193
121 A A 0.0000
122 M A 0.0000
123 D A -0.6364
124 V A -0.2811
125 W A -0.5089
126 G A 0.0000
127 Q A -1.4058
128 G A -0.6844
129 T A -0.2326
130 T A 0.1475
131 V A 0.0000
132 T A 0.1308
133 V A -0.5241
134 S A -0.3686
135 S A -0.6572
1 I B -0.3462
2 Q B -1.4302
3 M B 0.0000
4 T B -1.2007
5 Q B 0.0000
6 S B -0.6688
7 P B -0.5555
8 S B -0.8474
9 S B -1.0270
10 L B -0.5282
11 S B -0.6712
12 A B 0.0000
13 S B -0.2489
14 V B 0.4354
15 G B -0.8578
16 D B -1.6542
17 R B -2.2827
18 V B 0.0000
19 T B -0.4913
20 I B 0.0000
21 T B -0.7555
22 C B 0.0000
23 R B -2.4234
24 A B 0.0000
25 S B -1.5171
26 Q B -1.7106
27 S B -1.1029
28 I B 0.0000
29 G B -0.4861
30 T B -0.1864
31 Y B 0.5052
32 L B 0.0000
33 N B 0.0000
34 W B 0.0000
35 F B 0.0000
36 Q B 0.0000
37 Q B 0.0000
38 K B -1.6044
39 A B -1.0108
40 G B -1.5130
41 K B -2.5329
42 A B -1.6375
43 P B 0.0000
44 R B -1.6587
45 L B 0.0000
46 L B 0.0000
47 I B 0.0000
48 Y B 0.3365
49 A B 0.1566
50 A B 0.0000
51 S B -0.2352
52 S B 0.0566
53 L B 0.3120
54 Q B -0.2595
55 S B -0.3583
56 G B -0.4831
57 V B -0.3412
58 P B -0.3264
59 S B -0.4008
60 R B -0.7478
61 F B 0.0000
62 S B -0.3129
63 G B -0.2821
64 S B -0.7781
65 G B -1.2196
66 S B -1.1132
67 G B -1.2678
68 T B -1.8944
69 D B -2.5681
70 F B 0.0000
71 T B -0.8016
72 L B 0.0000
73 T B -0.6125
74 I B 0.0000
75 S B -1.3698
76 S B -1.2270
77 L B 0.0000
78 Q B -0.9227
79 P B -0.4323
80 E B -1.2860
81 D B 0.0000
82 F B -0.3634
83 T B -0.7576
84 T B -0.9001
85 Y B 0.0000
86 F B 0.0000
87 C B 0.0000
88 Q B 0.0000
89 Q B 0.0000
90 N B 0.0171
91 F B 0.2210
92 N B -0.8551
93 S B -0.6735
94 P B -0.7387
95 D B -0.6550
96 T B -0.6467
97 F B 0.0000
98 G B 0.0000
99 Q B -1.8449
100 G B 0.0000
101 T B 0.0000
102 K B -1.6837
103 L B 0.0000
104 E B -1.3069
105 I B 0.5426
106 K B -0.9592
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