Project name: NewCo Seq

Status: done

Started: 2024-06-14 15:37:41
Settings
Chain sequence(s) A: LTVLTQPPSVSGAPRQRVTISCSGNSSNIGNNAVNWYQQLPGKAPKLLIYYDDQLPSGVSDRFSGSRSGTSASLAIRGLQSEDEADYYCTSWDDSLDSQLFGGGTRLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAP
C: ECHQEEDFRVTCKDIQRIPSLPPSTQTLKLIETHLRTIPSHAFSNLPNISRIYVSIDVTLQQLESHSFYNLSKVTHIEIRNTRNLTYIDPDALKELPLLKFLGIFNTGLKMFPDLTKVYSTDIFFILEITDNPYMTSIPVNAFQGLCNETLTLKLYNNGFTSVQGYAFNGTKLDAVYLNKNKYLTVIDKDAFGGVYSGPSLLDVSQTSVTALPSKGLEHLKELIARNT
B: QVQLVQSGAEVKKPGESLKISCRGSGYRFTSYWINWVRQLPGKGLEWMGRIDPTDSYTNYSPSFKGHVTVSADKSINTAYLQWSSLKASDTGMYYCARLEPGYSSTWSVNWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP
input PDB
Selected Chain(s) A,C,B
Distance of aggregation 10 Å
FoldX usage Yes
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 minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:04)
Show buried residues

Minimal score value
-3.6585
Maximal score value
1.792
Average score
-0.6194
Total score value
-405.7275

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 L A 1.7920
2 T A 1.4176
3 V A 1.6664
4 L A 0.0000
5 T A -0.1194
6 Q A 0.0000
7 P A -0.6391
8 P A -0.9684
9 S A -1.0333
11 V A -0.4661
12 S A -0.3718
13 G A -0.8070
14 A A -0.9993
15 P A -1.8473
16 R A -3.3241
17 Q A -3.3936
18 R A -3.4758
19 V A 0.0000
20 T A -0.7133
21 I A 0.0000
22 S A -0.3865
23 C A 0.0000
24 S A -0.6132
25 G A -0.8493
26 N A -1.7449
27 S A -1.3254
27A S A -0.9007
27B N A 0.0000
28 I A 0.0000
29 G A -1.2848
30 N A -1.0271
31 N A 0.0000
32 A A -0.2355
33 V A 0.0000
34 N A 0.0000
35 W A 0.0000
36 Y A 0.0000
37 Q A 0.0000
38 Q A 0.0000
39 L A -1.1834
40 P A -1.1201
41 G A -1.3642
42 K A -2.3255
43 A A -1.5197
44 P A 0.0000
45 K A -1.1887
46 L A 0.0000
47 L A 0.0000
48 I A 0.0000
49 Y A 0.0000
50 Y A -0.0615
51 D A 0.0000
52 D A -0.6710
53 Q A 0.0000
54 L A -0.5059
55 P A -0.1465
56 S A -0.2215
57 G A -0.6274
58 V A -0.4724
59 S A -1.0166
60 D A -1.9453
61 R A -1.7668
62 F A 0.0000
63 S A -0.9555
64 G A -0.4669
65 S A -0.7222
66 R A -1.0324
67 S A -0.8531
68 G A -1.1506
69 T A -1.2083
70 S A -0.9373
71 A A 0.0000
72 S A -0.4988
73 L A 0.0000
74 A A -0.9528
75 I A 0.0000
76 R A -3.3118
77 G A -2.8287
78 L A 0.0000
79 Q A -2.0808
80 S A -1.6685
81 E A -2.2210
82 D A 0.0000
83 E A -1.4937
84 A A 0.0000
85 D A -1.2290
86 Y A 0.0000
87 Y A 0.0000
88 C A 0.0000
89 T A 0.0000
90 S A 0.0000
91 W A 0.0000
92 D A 0.0000
93 D A -0.4095
94 S A -0.1589
95 L A 0.3257
95A D A -0.2058
95B S A 0.0000
96 Q A 0.0000
97 L A 0.0000
98 F A 0.0000
99 G A 0.0000
100 G A -0.7625
101 G A -1.0207
102 T A 0.0000
103 R A -2.2051
104 L A 0.0000
105 T A -0.5935
106 V A 0.0000
106A L A 0.6838
107 G A -0.4415
108 Q A -0.9766
109 P A -1.2833
110 K A -2.2672
111 A A -1.2477
112 A A -0.6414
113 P A 0.0000
114 S A -0.4301
115 V A 0.0000
116 T A -0.4641
117 L A -0.3915
118 F A 0.0000
119 P A -0.0729
120 P A 0.0000
121 S A -0.8262
122 S A -1.3783
123 E A -2.1539
124 E A 0.0000
125 L A -2.1449
126 Q A -2.2891
127 A A -1.8636
128 N A -2.6212
129 K A -2.4672
130 A A 0.0000
131 T A 0.0000
132 L A 0.0000
133 V A 0.0000
134 C A 0.0000
135 L A 0.0000
136 I A 0.0000
137 S A 0.0000
138 D A -1.0421
139 F A 0.0000
140 Y A -1.2789
141 P A -1.1246
142 G A -0.8095
143 A A -0.1965
144 V A -0.1553
145 T A -0.1379
146 V A -0.0285
147 A A -0.4546
148 W A 0.0000
149 K A -0.8955
150 A A -0.9880
151 D A -1.3590
152 S A -0.8896
153 S A -0.6191
154 P A -0.8100
155 V A -0.7256
156 K A -1.6365
157 A A -0.8576
158 G A -0.7251
159 V A -0.5512
160 E A -0.9655
161 T A -0.2763
162 T A -0.1079
163 T A -0.2082
164 P A -0.3503
165 S A -0.8236
166 K A -1.7820
167 Q A -1.8272
168 S A -1.5935
169 N A -2.3678
170 N A -2.5130
171 K A -2.0535
172 Y A -1.0944
173 A A -0.6297
174 A A 0.0000
175 S A 0.0000
176 S A 0.0000
177 Y A 0.0000
178 L A 0.0000
179 S A -0.6156
180 L A -1.0558
181 T A -1.7253
182 P A -2.4463
183 E A -3.1447
184 Q A -2.2952
185 W A 0.0000
186 K A -3.0778
187 S A -2.3627
188 H A -2.2970
189 K A -2.3916
190 S A -1.5029
191 Y A 0.0000
192 S A 0.0000
193 C A 0.0000
194 Q A -1.1464
195 V A 0.0000
196 T A -0.7467
197 H A 0.0000
198 E A -2.2876
199 G A -1.4507
200 S A -0.9081
201 T A -0.7821
202 V A -0.8059
203 E A -2.2226
204 K A -1.8482
205 T A -1.0169
206 V A -0.4076
207 A A -0.8590
208 P A -1.1350
1 Q B -1.3431
2 V B -0.7356
3 Q B -1.3420
4 L B 0.0000
5 V B -0.1495
6 Q B 0.0000
7 S B -0.5746
8 G B -0.4974
9 A B 0.0431
10 E B -0.1850
11 V B 0.3149
12 K B -1.0130
13 K B -1.7619
14 P B -1.9409
15 G B -1.8473
16 E B -1.9640
17 S B -1.7126
18 L B 0.0000
19 K B -1.9512
20 I B 0.0000
21 S B -0.6379
22 C B 0.0000
23 R B -1.2161
24 G B 0.0000
25 S B -0.8199
26 G B -0.9543
27 Y B -0.5068
28 R B -0.0788
29 F B 0.0000
30 T B -0.6713
31 S B 0.0000
32 Y B 0.0000
33 W B 0.0000
34 I B 0.0000
35 N B 0.0000
36 W B 0.0000
37 V B 0.0000
38 R B -0.4770
39 Q B -0.7201
40 L B -0.7692
41 P B -0.8785
42 G B -1.3755
43 K B -2.1319
44 G B -1.1737
45 L B 0.0000
46 E B -0.1759
47 W B 0.0000
48 M B 0.0000
49 G B 0.0000
50 R B 0.0000
51 I B 0.0000
52 D B 0.0000
52A P B 0.0000
53 T B -0.9648
54 D B -1.4601
55 S B -1.0503
56 Y B 0.0000
57 T B -0.2874
58 N B 0.0000
59 Y B -0.6624
60 S B 0.0000
61 P B -0.6741
62 S B -0.5283
63 F B 0.0000
64 K B -2.2856
65 G B -1.8024
66 H B -1.9222
67 V B 0.0000
68 T B -1.0535
69 V B 0.0000
70 S B -0.4973
71 A B -1.0113
72 D B -1.6536
73 K B -1.8481
74 S B -0.7079
75 I B -0.1960
76 N B -1.0132
77 T B 0.0000
78 A B 0.0000
79 Y B -0.6927
80 L B 0.0000
81 Q B -1.5144
82 W B 0.0000
82A S B -1.1979
82B S B -1.6107
82C L B 0.0000
83 K B -2.4211
84 A B -1.3220
85 S B -0.8613
86 D B -0.9008
87 T B -0.3670
88 G B 0.0000
89 M B -0.0045
90 Y B 0.0000
91 Y B 0.0000
92 C B 0.0000
93 A B 0.0000
94 R B 0.0000
95 L B 0.0000
96 E B 0.0000
97 P B 0.0000
98 G B -0.0014
99 Y B -0.0316
100 S B -0.1468
100A S B 0.0035
100B T B 0.0000
100C W B 0.0000
100D S B 0.0000
101 V B 0.4804
102 N B -0.2617
103 W B -0.3406
104 G B 0.0000
105 Q B -1.4107
106 G B -0.6270
107 T B 0.0000
108 L B 0.4724
109 V B 0.0000
110 T B -0.1788
111 V B 0.0000
112 S B -0.7303
113 S B -0.8884
114 A B -0.4795
115 S B -0.5991
116 T B -0.6287
117 K B -1.2071
118 G B -1.3914
119 P B 0.0000
120 S B -0.2810
121 V B 0.0000
122 F B -0.6008
123 P B -1.0328
124 L B 0.0000
125 A B -0.8304
126 P B 0.0000
127 S B -0.4187
134 G B -0.6339
135 T B -0.4631
136 A B 0.0000
137 A B -0.0789
138 L B 0.0000
139 G B 0.0000
140 C B 0.0000
141 L B 0.0000
142 V B 0.0000
143 K B -0.3238
144 D B -0.4791
145 Y B 0.0000
146 F B 0.0000
147 P B 0.0000
148 E B -1.0278
149 P B -1.0459
150 V B -0.8123
151 T B -0.6499
152 V B -0.3947
153 S B -0.4081
154 W B 0.0000
155 N B -0.9210
156 S B -0.6778
157 G B -0.4575
158 A B -0.1954
159 L B 0.0436
160 T B -0.2085
161 S B -0.2695
162 G B -0.3572
163 V B -0.0759
164 H B -0.5824
165 T B -0.2854
166 F B 0.0000
167 P B -0.0733
168 A B 0.1384
169 V B 0.0000
170 L B 0.9901
171 Q B -0.0308
172 S B -0.2625
173 S B -0.2426
174 G B -0.0194
175 L B -0.0204
176 Y B 0.1957
177 S B 0.0000
178 L B 0.0000
179 S B 0.0000
180 S B 0.0000
181 V B 0.0000
182 V B 0.0000
183 T B -0.2654
184 V B 0.0000
185 P B -0.4696
186 S B -0.4945
187 S B -0.5492
188 S B -0.5303
189 L B -0.6848
190 G B -0.8978
191 T B -0.7248
192 Q B -1.2700
193 T B -1.1305
194 Y B 0.0000
195 I B -1.4562
196 C B 0.0000
197 N B -1.5996
198 V B 0.0000
199 N B -1.9390
200 H B 0.0000
201 K B -2.7727
202 P B -1.6931
203 S B -1.8308
204 N B -2.5520
205 T B -2.0437
206 K B -2.6474
207 V B -1.6389
208 D B -2.6890
209 K B -2.3243
210 K B -2.7378
211 V B 0.0000
212 E B -2.5136
213 P B -1.1622
30 E C -2.7048
31 C C -2.0816
32 H C -2.5017
33 Q C -2.7684
34 E C -3.1427
35 E C -2.9242
36 D C -1.8707
37 F C -0.1623
38 R C -1.2977
39 V C 0.0000
40 T C -1.3414
41 C C 0.0000
42 K C -3.1801
43 D C -3.6585
44 I C -2.8371
45 Q C -3.0061
46 R C -2.8496
47 I C -0.9883
48 P C -0.9039
49 S C -0.5906
50 L C 0.0000
51 P C -0.3912
52 P C -0.6836
53 S C -0.3757
54 T C 0.0000
55 Q C -0.7557
56 T C 0.0000
57 L C 0.0000
58 K C 0.0000
59 L C 0.0000
60 I C -1.3117
61 E C -2.1965
62 T C 0.0000
63 H C -2.1054
64 L C 0.0000
65 R C -2.6621
66 T C -1.8797
67 I C 0.0000
68 P C -1.1039
69 S C -0.8726
70 H C -1.3104
71 A C -0.7199
72 F C 0.0000
73 S C -1.4212
74 N C -1.7387
75 L C 0.0000
76 P C -1.4229
77 N C -1.5287
78 I C 0.0000
79 S C -1.0198
80 R C 0.0000
81 I C 0.0000
82 Y C 0.0000
83 V C 0.0000
84 S C -0.1441
85 I C -0.3417
86 D C 0.0000
87 V C 0.2566
88 T C -1.0427
89 L C 0.0000
90 Q C -1.8190
91 Q C -1.4004
92 L C 0.0000
93 E C -1.1911
94 S C -1.1064
95 H C -1.2954
96 S C 0.0000
97 F C 0.0000
98 Y C -1.1847
99 N C -1.9410
100 L C 0.0000
101 S C -1.4060
102 K C -1.8320
103 V C 0.0000
104 T C 0.0000
105 H C 0.0000
106 I C 0.0000
107 E C 0.0000
108 I C 0.0000
109 R C -0.5391
110 N C -0.8407
111 T C 0.0000
112 R C -2.1813
113 N C -2.1473
114 L C 0.0000
115 T C -0.6727
116 Y C 0.0520
117 I C -0.3465
118 D C -1.0222
119 P C -1.1246
120 D C -1.4127
121 A C 0.0000
122 L C 0.0000
123 K C -1.3152
124 E C -1.3842
125 L C 0.0000
126 P C -0.4652
127 L C 0.4019
128 L C 0.0000
129 K C 0.0000
130 F C 0.0000
131 L C 0.0000
132 G C 0.0000
133 I C 0.0000
134 F C 0.0000
135 N C -1.0860
136 T C 0.0000
137 G C 0.0000
138 L C 0.0000
139 K C -0.2867
140 M C 0.5555
141 F C 0.0000
142 P C 0.0000
143 D C -1.0655
144 L C 0.0000
145 T C -0.8998
146 K C -1.0584
147 V C 0.0000
148 Y C -0.1592
149 S C 0.0000
150 T C 0.0606
151 D C 0.6820
152 I C 1.5019
153 F C 0.5501
154 F C 0.0000
155 I C 0.0000
156 L C 0.0000
157 E C 0.0000
158 I C 0.0000
159 T C 0.0000
160 D C -0.7113
161 N C 0.0000
162 P C -0.0435
163 Y C 0.7863
164 M C 0.0000
165 T C 0.3319
166 S C 0.0781
167 I C 0.0000
168 P C 0.3919
169 V C 1.0180
170 N C -0.1073
171 A C 0.0000
172 F C 0.0000
173 Q C -0.8393
174 G C -0.8063
175 L C 0.0000
176 C C -0.5914
177 N C -1.3163
178 E C -0.8357
179 T C -0.5190
180 L C 0.0000
181 T C 0.0000
182 L C 0.0000
183 K C 0.0000
184 L C 0.0000
185 Y C 0.0000
186 N C -0.7224
187 N C 0.0000
188 G C 0.0000
189 F C 0.0000
190 T C 0.3648
191 S C 0.2450
192 V C 0.0000
193 Q C -0.7255
194 G C -0.8689
195 Y C -0.0363
196 A C 0.0000
197 F C 0.0000
198 N C -0.1474
199 G C -0.3376
200 T C 0.0000
201 K C -1.0737
202 L C 0.0000
203 D C -0.8194
204 A C 0.0000
205 V C 0.0000
206 Y C 0.2983
207 L C 0.0000
208 N C 0.0000
209 K C -0.8638
210 N C 0.0000
211 K C -0.9250
212 Y C 0.6798
213 L C 0.0000
214 T C 0.7270
215 V C 1.1538
216 I C 0.0000
217 D C -1.5649
218 K C -2.5573
219 D C -2.1312
220 A C 0.0000
221 F C 0.0000
222 G C 0.0000
223 G C -0.3423
224 V C 0.2136
225 Y C 0.9063
226 S C -0.1572
227 G C -0.9439
228 P C 0.0000
229 S C -1.4170
230 L C -0.5949
231 L C 0.0000
232 D C 0.0000
233 V C 0.0000
234 S C 0.0000
235 Q C -1.1810
236 T C 0.0000
237 S C -0.0846
238 V C 0.5545
239 T C 0.3648
240 A C 0.2763
241 L C 0.1324
242 P C 0.0000
243 S C -1.6621
244 K C -2.4495
245 G C -1.7089
246 L C 0.0000
247 E C -2.8329
248 H C -2.5455
249 L C -1.8623
250 K C -2.4832
251 E C -1.5328
252 L C 0.1360
253 I C 0.2907
254 A C -0.1155
255 R C -1.0596
256 N C -1.7949
257 T C -1.1552
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Laboratory of Theory of Biopolymers 2018