Project name: 401e6ec796c8599

Status: done

Started: 2024-06-12 08:55:05
Settings
Chain sequence(s) H: EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYAMSWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKYDGIYGELDFWGQGTLVTVSS
L: DIQMTQSPSSLSASVGDRVTITCRASQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPPTFGQGTKVEIK
input PDB
Selected Chain(s) H,L
Distance of aggregation 10 Å
FoldX 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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)
Show buried residues

Minimal score value
-2.8486
Maximal score value
1.9542
Average score
-0.5556
Total score value
-125.5612

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
residue index residue name chain Aggrescan3D score
mutation
1 E H -1.9544
2 V H -0.8679
3 Q H -0.9042
4 L H 0.0000
5 L H 0.6711
6 E H 0.0828
7 S H -0.3764
8 G H -0.8402
9 G H 0.0472
10 G H 0.7913
11 L H 1.3875
12 V H 0.0148
13 Q H -1.2733
14 P H -1.4579
15 G H -1.2852
16 G H -0.9012
17 S H -1.2601
18 L H -0.9218
19 R H -2.1172
20 L H 0.0000
21 S H -0.4756
22 C H 0.0000
23 A H -0.2426
24 A H 0.0000
25 S H -0.9298
26 G H -1.0452
27 F H -0.3642
28 T H -0.2890
29 F H 0.0000
30 S H -0.7961
31 S H -0.2420
32 Y H 0.2370
33 A H -0.2036
34 M H 0.0000
35 S H 0.0000
36 W H 0.0000
37 V H 0.0000
38 R H 0.0000
39 Q H -0.6446
40 A H -1.0205
41 P H -0.9991
42 G H -1.4532
43 K H -2.4035
44 G H -1.6279
45 L H 0.0000
46 E H -1.1872
47 W H 0.0000
48 V H 0.0000
49 S H 0.0000
50 A H 0.0000
51 I H 0.0000
52 S H -0.3252
53 G H -0.6040
54 S H -0.7693
55 G H -0.9557
56 G H -0.7400
57 S H -0.2791
58 T H 0.3246
59 Y H 0.7146
60 Y H -0.4145
61 A H -1.2084
62 D H -2.4204
63 S H -1.7592
64 V H 0.0000
65 K H -2.6168
66 G H -2.0123
67 R H -2.0191
68 F H 0.0000
69 T H -0.8425
70 I H 0.0000
71 S H -0.4022
72 R H -1.2632
73 D H -1.9941
74 N H -2.5518
75 S H -2.0659
76 K H -2.7218
77 N H -2.2603
78 T H 0.0000
79 L H 0.0000
80 Y H -0.4951
81 L H 0.0000
82 Q H -1.3776
83 M H 0.0000
84 N H -1.4964
85 S H -1.2459
86 L H 0.0000
87 R H -1.7974
88 A H -1.4860
89 E H -2.0786
90 D H 0.0000
91 T H -0.2268
92 A H 0.0000
93 V H 0.8037
94 Y H 0.0000
95 Y H 0.0000
96 C H 0.0000
97 A H 0.0000
98 K H 0.0000
99 Y H 0.0000
100 D H 0.2296
101 G H 0.5103
102 I H 1.9542
103 Y H 1.5501
104 G H 0.6683
105 E H 0.0000
106 L H 0.0000
107 D H -0.2601
108 F H 0.3058
109 W H -0.2925
110 G H 0.0000
111 Q H -1.4952
112 G H -0.3907
113 T H 0.4885
114 L H 1.6836
115 V H 0.0000
116 T H 0.4091
117 V H 0.0000
118 S H -0.6690
119 S H -0.4796
120 D L -2.2574
121 I L 0.0000
122 Q L -2.1696
123 M L 0.0000
124 T L -1.4631
125 Q L 0.0000
126 S L -0.8799
127 P L -0.5250
128 S L -0.9523
129 S L -1.0526
130 L L -0.5862
131 S L -1.0223
132 A L 0.0000
133 S L -0.8934
134 V L -0.2221
135 G L -1.0328
136 D L -1.8374
137 R L -2.4728
138 V L 0.0000
139 T L -0.5801
140 I L 0.0000
141 T L -0.9118
142 C L 0.0000
143 R L -2.8486
144 A L 0.0000
145 S L -1.8367
146 Q L -1.7708
147 S L -0.9494
148 I L 0.0000
149 S L -0.2832
150 S L 0.0145
151 Y L 0.9686
152 L L 0.0000
153 N L 0.0000
154 W L 0.0000
155 Y L 0.0000
156 Q L 0.0000
157 Q L -1.5607
158 K L -2.0357
159 P L -1.2703
160 G L -1.7843
161 K L -2.7924
162 A L -1.7740
163 P L 0.0000
164 K L -1.9621
165 L L 0.0000
166 L L 0.0000
167 I L 0.0000
168 Y L 0.4350
169 A L 0.3700
170 A L 0.0000
171 S L -0.2144
172 S L 0.0612
173 L L 0.2177
174 Q L -0.4084
175 S L -0.4163
176 G L -0.5313
177 V L -0.4507
178 P L -0.4542
179 S L -0.5092
180 R L -1.0118
181 F L 0.0000
182 S L -0.3785
183 G L -0.3033
184 S L -0.8132
185 G L -1.3491
186 S L -1.1487
187 G L -1.1369
188 T L -1.7862
189 D L -2.4454
190 F L 0.0000
191 T L -0.8629
192 L L 0.0000
193 T L -0.6414
194 I L 0.0000
195 S L -1.3762
196 S L -1.2514
197 L L 0.0000
198 Q L -1.0055
199 P L -0.8063
200 E L -1.6518
201 D L 0.0000
202 F L -0.3644
203 A L 0.0000
204 T L -1.1296
205 Y L 0.0000
206 Y L 0.0000
207 C L 0.0000
208 Q L 0.0000
209 Q L 0.0000
210 S L 0.7335
211 Y L 1.1219
212 S L 0.1067
213 T L -0.1123
214 P L -0.4003
215 P L 0.0000
216 T L -0.8121
217 F L 0.0000
218 G L 0.0000
219 Q L -1.7533
220 G L 0.0000
221 T L 0.0000
222 K L -2.0664
223 V L 0.0000
224 E L -1.0997
225 I L -0.5143
226 K L -1.4313
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018