Project name: CAMA

Status: done

Started: 2026-07-12 08:31:07
Settings
Chain sequence(s) A: MIKPYKGIEPKIGKRVFIAENATVIGDVEIGDDSSIWFGAILRGDENFIKVGACTSIQDGTVVHVTERTHPTIIGDYVTVGHAVKLHGCTVKDNCLIGIGAIILDGAVIGENSIVAAGSLVPPGKEFPPGSLIMGFPATVKRELTPEEIKGLKEHALRNVKYKNEYLESFKLEHHHHHH
C: MIKPYKGIEPKIGKRVFIAENATVIGDVEIGDDSSIWFGAILRGDENFIKVGACTSIQDGTVVHVTERTHPTIIGDYVTVGHAVKLHGCTVKDNCLIGIGAIILDGAVIGENSIVAAGSLVPPGKEFPPGSLIMGFPATVKRELTPEEIKGLKEHALRNVKYKNEYLESFKLEHHHHHH
B: MIKPYKGIEPKIGKRVFIAENATVIGDVEIGDDSSIWFGAILRGDENFIKVGACTSIQDGTVVHVTERTHPTIIGDYVTVGHAVKLHGCTVKDNCLIGIGAIILDGAVIGENSIVAAGSLVPPGKEFPPGSLIMGFPATVKRELTPEEIKGLKEHALRNVKYKNEYLESFKLEHHHHHH
input PDB
Selected Chain(s) A,B,C
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                                          (00:10:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:10)
Show buried residues

Minimal score value
-3.3321
Maximal score value
0.6813
Average score
-0.8054
Total score value
-432.4871

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 M A 0.1329
2 I A 0.6040
3 K A -0.2207
4 P A -1.1139
5 Y A 0.0000
6 K A -1.9605
7 G A -1.2392
8 I A -1.1412
9 E A -2.3255
10 P A 0.0000
11 K A -2.3364
12 I A -1.1727
13 G A -1.7601
14 K A -2.6443
15 R A -2.6911
16 V A -1.2122
17 F A 0.0000
18 I A 0.1758
19 A A 0.0000
20 E A -1.1100
21 N A -0.9812
22 A A 0.0000
23 T A 0.0000
24 V A 0.0000
25 I A 0.0000
26 G A 0.0000
27 D A -1.8403
28 V A 0.0000
29 E A -2.1024
30 I A 0.0000
31 G A -1.4706
32 D A -1.6307
33 D A -1.5086
34 S A 0.0000
35 S A 0.0000
36 I A 0.0000
37 W A 0.0000
38 F A 0.0000
39 G A -0.6652
40 A A 0.0000
41 I A 0.0000
42 L A 0.0000
43 R A 0.0000
44 G A 0.0000
45 D A 0.0000
46 E A -0.9481
47 N A -0.7313
48 F A -0.2336
49 I A 0.0000
50 K A -1.0816
51 V A 0.0000
52 G A -1.0479
53 A A -0.7964
54 C A -0.5033
55 T A 0.0000
56 S A 0.0000
57 I A 0.0000
58 Q A 0.0000
59 D A 0.0000
60 G A -0.2405
61 T A 0.0000
62 V A 0.0000
63 V A 0.0000
64 H A 0.0000
65 V A 0.0000
66 T A -0.8370
67 E A -1.3625
68 R A -2.0916
69 T A -1.3267
70 H A -0.8859
71 P A -0.4442
72 T A 0.0000
73 I A -0.0010
74 I A 0.0000
75 G A -1.4989
76 D A -1.5890
77 Y A -0.8375
78 V A 0.0000
79 T A 0.0000
80 V A 0.0000
81 G A 0.0000
82 H A 0.0000
83 A A 0.0000
84 V A 0.0000
85 K A 0.0000
86 L A 0.0000
87 H A -0.1875
88 G A 0.0000
89 C A 0.0000
90 T A -0.5340
91 V A 0.0000
92 K A -2.3222
93 D A -2.6283
94 N A -2.0348
95 C A 0.0000
96 L A -0.0784
97 I A 0.0000
98 G A 0.1903
99 I A 0.1816
100 G A 0.0000
101 A A 0.0000
102 I A 0.0000
103 I A 0.0000
104 L A -0.3209
105 D A -0.7408
106 G A -1.0326
107 A A 0.0000
108 V A -1.0623
109 I A 0.0000
110 G A 0.0000
111 E A -2.2786
112 N A -1.7929
113 S A 0.0000
114 I A 0.1757
115 V A 0.0000
116 A A 0.2582
117 A A 0.1363
118 G A 0.1495
119 S A 0.0000
120 L A 0.2081
121 V A 0.0000
122 P A -0.6968
123 P A -1.0260
124 G A -1.4470
125 K A -1.8639
126 E A -2.2611
127 F A 0.0000
128 P A -1.0335
129 P A -1.5735
130 G A -1.1113
131 S A 0.0000
132 L A -0.8196
133 I A 0.0000
134 M A -0.0143
135 G A 0.1456
136 F A 0.5306
137 P A 0.0786
138 A A 0.0000
139 T A -0.1369
140 V A -0.4191
141 K A -1.9718
142 R A -2.3023
143 E A -2.5036
144 L A 0.0000
145 T A -1.6318
146 P A -1.8626
147 E A -2.7172
148 E A -2.3677
149 I A -2.1197
150 K A -3.2472
151 G A -2.5746
152 L A 0.0000
153 K A -2.5211
154 E A -2.8644
155 H A -1.8012
156 A A 0.0000
157 L A -1.0055
158 R A -1.8699
159 N A 0.0000
160 V A -1.1454
161 K A -1.6491
162 Y A -1.2956
163 K A 0.0000
164 N A -2.2528
165 E A -2.5518
166 Y A 0.0000
167 L A -1.6141
168 E A -2.7257
169 S A -2.0893
170 F A 0.0000
171 K A -2.4898
172 L A -1.3049
173 E A -2.4470
174 H A -2.9805
175 H A -3.0151
176 H A -3.0117
177 H A -2.9190
178 H A -2.9280
179 H A -2.4282
1 M B 0.1117
2 I B 0.5836
3 K B -0.2759
4 P B -1.2859
5 Y B 0.0000
6 K B -2.4854
7 G B -1.4910
8 I B -1.3328
9 E B -2.4379
10 P B 0.0000
11 K B -2.3613
12 I B -1.1984
13 G B -1.7801
14 K B -2.6722
15 R B -2.7025
16 V B -1.2267
17 F B 0.0000
18 I B 0.1544
19 A B 0.0000
20 E B -1.1445
21 N B -0.9947
22 A B 0.0000
23 T B 0.0000
24 V B 0.0000
25 I B 0.0000
26 G B 0.0000
27 D B -2.0649
28 V B 0.0000
29 E B -2.0773
30 I B 0.0000
31 G B -1.4855
32 D B -1.6852
33 D B -1.6105
34 S B 0.0000
35 S B 0.0000
36 I B 0.0000
37 W B 0.0000
38 F B 0.0000
39 G B -0.6701
40 A B 0.0000
41 I B 0.0000
42 L B 0.0000
43 R B 0.0000
44 G B 0.0000
45 D B 0.0000
46 E B -1.0815
47 N B -0.8054
48 F B -0.2717
49 I B 0.0000
50 K B -1.0824
51 V B 0.0000
52 G B -1.0295
53 A B -0.8300
54 C B -0.6261
55 T B 0.0000
56 S B 0.0000
57 I B 0.0000
58 Q B 0.0000
59 D B 0.0000
60 G B -0.2410
61 T B 0.0000
62 V B 0.0000
63 V B 0.0000
64 H B 0.0000
65 V B 0.0000
66 T B -0.9006
67 E B -1.5388
68 R B -2.1440
69 T B -1.3541
70 H B -0.9326
71 P B -0.4570
72 T B 0.0000
73 I B 0.0511
74 I B 0.0000
75 G B -1.3573
76 D B -1.5585
77 Y B -0.9275
78 V B 0.0000
79 T B 0.0000
80 V B 0.0000
81 G B 0.0000
82 H B 0.0000
83 A B 0.0000
84 V B 0.0000
85 K B 0.0000
86 L B 0.0000
87 H B -0.2440
88 G B 0.0000
89 C B 0.0000
90 T B -0.4997
91 V B 0.0000
92 K B -1.9367
93 D B -2.4173
94 N B -1.9616
95 C B 0.0000
96 L B 0.0453
97 I B 0.0000
98 G B 0.2194
99 I B 0.2061
100 G B 0.0000
101 A B 0.0000
102 I B 0.0000
103 I B 0.0000
104 L B 0.0000
105 D B -0.8041
106 G B -1.1160
107 A B 0.0000
108 V B -1.0027
109 I B 0.0000
110 G B 0.0000
111 E B -1.8129
112 N B -1.6959
113 S B 0.0000
114 I B 0.2172
115 V B 0.0000
116 A B 0.3035
117 A B 0.1810
118 G B 0.1456
119 S B 0.0000
120 L B 0.0000
121 V B 0.0000
122 P B -0.7718
123 P B -1.0961
124 G B -1.4830
125 K B -1.8689
126 E B -2.2646
127 F B 0.0000
128 P B -0.9852
129 P B -1.4193
130 G B -1.0603
131 S B 0.0000
132 L B -0.8391
133 I B 0.0000
134 M B 0.1634
135 G B 0.1843
136 F B 0.4881
137 P B 0.0581
138 A B 0.0000
139 T B -0.1015
140 V B -0.3866
141 K B -1.9175
142 R B -2.2445
143 E B -2.5107
144 L B 0.0000
145 T B -1.6454
146 P B -1.8757
147 E B -2.7173
148 E B -2.4187
149 I B -2.1434
150 K B -3.3321
151 G B -2.6727
152 L B 0.0000
153 K B -2.7777
154 E B -2.9617
155 H B -1.8222
156 A B 0.0000
157 L B -1.2397
158 R B -1.9953
159 N B 0.0000
160 V B -1.4613
161 K B -2.2936
162 Y B -1.6625
163 K B 0.0000
164 N B -2.5642
165 E B -3.0440
166 Y B 0.0000
167 L B -1.6819
168 E B -2.7797
169 S B -2.1256
170 F B 0.0000
171 K B -2.3339
172 L B -1.1536
173 E B -2.3339
174 H B -2.8914
175 H B -2.9468
176 H B -2.9655
177 H B -2.8996
178 H B -2.9271
179 H B -2.4410
1 M C 0.1301
2 I C 0.6813
3 K C -0.2949
4 P C -1.3224
5 Y C 0.0000
6 K C -2.5672
7 G C -1.5253
8 I C -1.3994
9 E C -2.4872
10 P C 0.0000
11 K C -2.4139
12 I C -1.1524
13 G C -1.8192
14 K C -2.6864
15 R C -2.7108
16 V C -1.2415
17 F C 0.0000
18 I C 0.1713
19 A C 0.0000
20 E C -1.0734
21 N C -0.9641
22 A C 0.0000
23 T C 0.0000
24 V C 0.0000
25 I C 0.0000
26 G C 0.0000
27 D C -2.1152
28 V C 0.0000
29 E C -2.1661
30 I C 0.0000
31 G C -1.5240
32 D C -1.7100
33 D C -1.5762
34 S C 0.0000
35 S C 0.0000
36 I C 0.0000
37 W C 0.0000
38 F C 0.0000
39 G C -0.6609
40 A C 0.0000
41 I C 0.0000
42 L C 0.0000
43 R C 0.0000
44 G C 0.0000
45 D C 0.0000
46 E C -1.1042
47 N C -0.8444
48 F C -0.3393
49 I C 0.0000
50 K C -1.1414
51 V C 0.0000
52 G C -1.0330
53 A C -0.8339
54 C C -0.4928
55 T C 0.0000
56 S C 0.0000
57 I C 0.0000
58 Q C 0.0000
59 D C 0.0000
60 G C -0.2417
61 T C 0.0000
62 V C 0.0000
63 V C 0.0000
64 H C 0.0000
65 V C 0.0000
66 T C -0.9457
67 E C -1.6020
68 R C -2.1903
69 T C -1.3934
70 H C -0.9384
71 P C -0.4862
72 T C 0.0000
73 I C 0.0637
74 I C 0.0000
75 G C -1.3173
76 D C -1.5032
77 Y C -0.8024
78 V C 0.0000
79 T C 0.0000
80 V C 0.0000
81 G C 0.0000
82 H C 0.0000
83 A C 0.0000
84 V C 0.0000
85 K C 0.0000
86 L C 0.0000
87 H C -0.1888
88 G C 0.0000
89 C C 0.0000
90 T C -0.4576
91 V C 0.0000
92 K C -1.8394
93 D C -2.3188
94 N C -1.8749
95 C C 0.0000
96 L C -0.0265
97 I C 0.0000
98 G C 0.2177
99 I C 0.2026
100 G C 0.0000
101 A C 0.0000
102 I C 0.0000
103 I C 0.0000
104 L C -0.3579
105 D C -0.7600
106 G C -1.1169
107 A C 0.0000
108 V C -0.9855
109 I C 0.0000
110 G C 0.0000
111 E C -1.7709
112 N C -1.6517
113 S C 0.0000
114 I C 0.2232
115 V C 0.0000
116 A C 0.3080
117 A C 0.2049
118 G C 0.1863
119 S C 0.0000
120 L C 0.0000
121 V C 0.0000
122 P C -0.7522
123 P C -1.0734
124 G C -1.5042
125 K C -1.9365
126 E C -2.3034
127 F C 0.0000
128 P C -0.9768
129 P C -1.4048
130 G C -1.0671
131 S C 0.0000
132 L C -0.8522
133 I C 0.0000
134 M C 0.1779
135 G C 0.2157
136 F C 0.5056
137 P C 0.0542
138 A C 0.0000
139 T C -0.0904
140 V C -0.3754
141 K C -1.9367
142 R C -2.3173
143 E C -2.5460
144 L C 0.0000
145 T C -1.6550
146 P C -1.8772
147 E C -2.7194
148 E C -2.3968
149 I C -2.1102
150 K C -3.2778
151 G C -2.5874
152 L C 0.0000
153 K C -2.4498
154 E C -2.6850
155 H C -1.5777
156 A C 0.0000
157 L C -0.7266
158 R C -1.4866
159 N C 0.0000
160 V C -1.1707
161 K C -1.9310
162 Y C 0.0000
163 K C 0.0000
164 N C -2.3194
165 E C -2.5336
166 Y C 0.0000
167 L C -1.5314
168 E C -2.5054
169 S C -1.7592
170 F C 0.0000
171 K C -2.1225
172 L C -0.8612
173 E C -2.0587
174 H C -2.7472
175 H C -2.8190
176 H C -2.8593
177 H C -2.8345
178 H C -2.8962
179 H C -2.4284
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Laboratory of Theory of Biopolymers 2018