Isatuximab / 4cmh

A4DAB145_4cmh_B_C | Source PDB: 4cmh | Chains: B, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6616
Max Score
2.1574
Min Score
-3.4128
Total Score
-283.84
Score CDR
-0.3725
Score non-CDR
-0.6972

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVAKPGTSVKLSCKASGYTFTDYWMQWVKQRPGQGLEWIGTIYPGDGDTGYAQKFQGKATLTADKSSKTVYMHLSSLASEDSAVYYCARGDYYGSNSLDYWGQGTSVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDIVMTQSHLSMSTSLGDPVSITCKASQDVSTVVAWYQQKPGQSPRRLIYSASYRYIGVPDRFTGSGAGTDFTFTISSVQAEDLAVYYCQQHYSPPYTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) B (Heavy), C (Light)
Distance of Aggregation 10 Å
FoldX Energy Minimization Yes
pH Calculations Yes
Downloads Download all data (.tar.gz)

Aggrescan4D Profile

Aggregation-prone (score > 0)
Soluble (score < 0)
Buried (score = 0)

Per-Residue A4D Scores

Download CSV
Minimum Score -3.4128
Maximum Score 2.1574
Average Score -0.6616
Total Score -283.8443

Residues with A4D score > 0.0 are highlighted as aggregation-prone.

Index Residue Chain A4D Score Classification
1 Q B -1.4477 Soluble
2 V B -0.8351 Soluble
3 Q B -0.9357 Soluble
4 L B 0.0000 Buried
5 V B 0.3837 Aggregation-prone
6 Q B 0.0000 Buried
7 S B -0.6198 Soluble
8 G B -0.6798 Soluble
9 A B -0.4628 Soluble
11 E B -0.5653 Soluble
12 V B 0.0570 Aggregation-prone
13 A B -0.7480 Soluble
14 K B -1.8316 Soluble
15 P B -1.2171 Soluble
16 G B -1.1387 Soluble
17 T B -0.9518 Soluble
18 S B -1.1901 Soluble
19 V B 0.0000 Buried
20 K B -2.0462 Soluble
21 L B 0.0000 Buried
22 S B -0.5451 Soluble
23 C B 0.0000 Buried
24 K B -1.0661 Soluble
25 A B 0.0000 Buried
26 S B -0.9958 Soluble
27 G B -0.9724 Soluble
28 Y B -0.6311 Soluble
29 T B -0.5938 Soluble
30 F B 0.0000 Buried
35 T B -1.5052 Soluble
36 D B -1.2874 Soluble
37 Y B 0.0424 Aggregation-prone
38 W B -0.0147 Soluble
39 M B 0.0000 Buried
40 Q B 0.0000 Buried
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 K B 0.0000 Buried
44 Q B -0.9486 Soluble
45 R B -1.6721 Soluble
46 P B -0.9898 Soluble
47 G B -1.4193 Soluble
48 Q B -1.9660 Soluble
49 G B -1.2984 Soluble
50 L B 0.0000 Buried
51 E B -1.0396 Soluble
52 W B 0.0000 Buried
53 I B 0.0000 Buried
54 G B 0.0000 Buried
55 T B 0.0000 Buried
56 I B 0.0000 Buried
57 Y B -1.1728 Soluble
58 P B 0.0000 Buried
59 G B -2.0293 Soluble
62 D B -2.7290 Soluble
63 G B -2.3133 Soluble
64 D B -2.4811 Soluble
65 T B -1.1807 Soluble
66 G B -0.7665 Soluble
67 Y B -0.9387 Soluble
68 A B 0.0000 Buried
69 Q B -2.7217 Soluble
70 K B -2.7091 Soluble
71 F B 0.0000 Buried
72 Q B -2.2501 Soluble
74 G B -1.5783 Soluble
75 K B -1.4626 Soluble
76 A B 0.0000 Buried
77 T B -0.7981 Soluble
78 L B 0.0000 Buried
79 T B -0.6515 Soluble
80 A B -1.4393 Soluble
81 D B -1.8306 Soluble
82 K B -2.2212 Soluble
83 S B -1.3969 Soluble
84 S B -1.4698 Soluble
85 K B -2.0831 Soluble
86 T B 0.0000 Buried
87 V B 0.0000 Buried
88 Y B -0.6288 Soluble
89 M B 0.0000 Buried
90 H B -1.3824 Soluble
91 L B 0.0000 Buried
92 S B -0.9679 Soluble
93 S B -0.8629 Soluble
94 L B 0.0000 Buried
95 A B -1.2116 Soluble
96 S B -1.4099 Soluble
97 E B -2.0387 Soluble
98 D B 0.0000 Buried
99 S B -0.7803 Soluble
100 A B 0.0000 Buried
101 V B -0.0464 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 A B 0.0000 Buried
106 R B 0.0000 Buried
107 G B 0.0000 Buried
108 D B 0.0000 Buried
109 Y B 1.4367 Aggregation-prone
110 Y B 1.7689 Aggregation-prone
111 G B 0.0000 Buried
112 S B 0.7597 Aggregation-prone
113 N B 0.5970 Aggregation-prone
114 S B 0.0000 Buried
115 L B 0.0000 Buried
116 D B -0.1124 Soluble
117 Y B -0.1115 Soluble
118 W B -0.2668 Soluble
119 G B 0.0000 Buried
120 Q B -1.2399 Soluble
121 G B -0.6264 Soluble
122 T B 0.0000 Buried
123 S B -0.4155 Soluble
124 V B 0.0000 Buried
125 T B -0.5066 Soluble
126 V B 0.0000 Buried
127 S B -0.8930 Soluble
128 S B -0.8559 Soluble
129 A B -0.5583 Soluble
130 S B -0.6190 Soluble
131 T B -0.6088 Soluble
132 K B -1.1522 Soluble
133 G B -1.3179 Soluble
134 P B 0.0000 Buried
135 S B -0.3542 Soluble
136 V B 0.0000 Buried
137 F B 0.0000 Buried
138 P B -1.1876 Soluble
139 L B 0.0000 Buried
140 A B -1.2781 Soluble
141 P B 0.0000 Buried
142 S B -0.7781 Soluble
143 G B -0.6600 Soluble
144 T B -0.4989 Soluble
145 A B 0.0000 Buried
146 A B 0.0000 Buried
147 L B 0.0000 Buried
148 G B 0.0000 Buried
149 C B 0.0000 Buried
150 L B 0.0000 Buried
151 V B 0.0000 Buried
152 K B 0.0000 Buried
153 D B -0.2623 Soluble
154 Y B 0.0000 Buried
155 F B 0.0000 Buried
156 P B 0.0000 Buried
157 E B -1.3210 Soluble
158 P B -1.3214 Soluble
159 V B -0.9777 Soluble
160 T B -0.7043 Soluble
161 V B -0.4273 Soluble
162 S B -0.4478 Soluble
163 W B 0.0000 Buried
164 N B -0.8548 Soluble
165 S B -0.7381 Soluble
166 G B -0.5750 Soluble
167 A B -0.3016 Soluble
168 L B -0.0499 Soluble
169 T B -0.1960 Soluble
170 S B -0.1888 Soluble
171 G B -0.2334 Soluble
172 V B 0.1237 Aggregation-prone
173 H B -0.2931 Soluble
174 T B 0.0378 Aggregation-prone
175 F B 0.0000 Buried
176 P B -0.3193 Soluble
177 A B 0.0284 Aggregation-prone
178 V B 0.4156 Aggregation-prone
179 L B 0.9955 Aggregation-prone
180 Q B 0.3043 Aggregation-prone
181 S B -0.0550 Soluble
182 S B -0.1996 Soluble
183 G B 0.0312 Aggregation-prone
184 L B -0.0560 Soluble
185 Y B 0.0000 Buried
186 S B 0.0000 Buried
187 L B 0.0000 Buried
188 S B 0.0000 Buried
189 S B 0.0000 Buried
190 V B 0.0000 Buried
191 V B 0.0000 Buried
192 T B -0.2139 Soluble
193 V B 0.0000 Buried
194 P B -0.6225 Soluble
195 S B -0.5517 Soluble
196 S B -0.6357 Soluble
197 S B -0.7018 Soluble
198 L B -0.8565 Soluble
199 G B -1.0267 Soluble
200 T B -0.8563 Soluble
201 Q B -1.5031 Soluble
202 T B -1.2064 Soluble
203 Y B 0.0000 Buried
204 I B -1.1642 Soluble
205 C B 0.0000 Buried
206 N B -1.4910 Soluble
207 V B 0.0000 Buried
208 N B -2.0057 Soluble
209 H B 0.0000 Buried
210 K B -2.8378 Soluble
211 P B -1.7393 Soluble
212 S B -1.8081 Soluble
213 N B -2.5706 Soluble
214 T B -2.0526 Soluble
215 K B -2.6878 Soluble
216 V B -1.5719 Soluble
217 D B -2.4382 Soluble
218 K B -1.7766 Soluble
219 K B -2.1937 Soluble
220 V B 0.0000 Buried
221 E B -2.8823 Soluble
222 P B -2.0222 Soluble
223 K B -2.5858 Soluble
224 S B -1.3473 Soluble
1 D C -1.6261 Soluble
2 I C -0.3094 Soluble
3 V C 0.8585 Aggregation-prone
4 M C 0.0000 Buried
5 T C -0.6378 Soluble
6 Q C -0.5248 Soluble
7 S C -0.6809 Soluble
8 H C -0.5746 Soluble
9 L C 0.6462 Aggregation-prone
10 S C -0.0252 Soluble
11 M C -0.2940 Soluble
12 S C -0.7814 Soluble
13 T C 0.0000 Buried
14 S C -0.7108 Soluble
15 L C 0.3273 Aggregation-prone
16 G C -0.7435 Soluble
17 D C -1.5285 Soluble
18 P C -1.0266 Soluble
19 V C -0.4889 Soluble
20 S C -0.1551 Soluble
21 I C 0.0000 Buried
22 T C -0.9881 Soluble
23 C C 0.0000 Buried
24 K C -2.2425 Soluble
25 A C 0.0000 Buried
26 S C -1.1865 Soluble
27 Q C -2.3588 Soluble
28 D C -2.6205 Soluble
29 V C 0.0000 Buried
36 S C -0.7308 Soluble
37 T C -0.1738 Soluble
38 V C 0.4106 Aggregation-prone
39 V C 0.0000 Buried
40 A C 0.0000 Buried
41 W C 0.0000 Buried
42 Y C 0.0000 Buried
43 Q C 0.0000 Buried
44 Q C 0.0000 Buried
45 K C -1.5608 Soluble
46 P C -1.3967 Soluble
47 G C -1.4474 Soluble
48 Q C -2.1675 Soluble
49 S C -1.5339 Soluble
50 P C 0.0000 Buried
51 R C -2.0982 Soluble
52 R C -0.9449 Soluble
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 Y C 0.4446 Aggregation-prone
56 S C 0.4240 Aggregation-prone
57 A C 0.0000 Buried
65 S C 0.2046 Aggregation-prone
66 Y C 1.3822 Aggregation-prone
67 R C 0.5899 Aggregation-prone
68 Y C 1.7921 Aggregation-prone
69 I C 2.1574 Aggregation-prone
70 G C 0.5265 Aggregation-prone
71 V C 0.1972 Aggregation-prone
72 P C -0.7591 Soluble
74 D C -1.8139 Soluble
75 R C -1.3595 Soluble
76 F C 0.0000 Buried
77 T C -0.5744 Soluble
78 G C 0.0000 Buried
79 S C -0.4209 Soluble
80 G C -0.9325 Soluble
83 A C -0.8544 Soluble
84 G C -1.6587 Soluble
85 T C -2.2466 Soluble
86 D C -2.5691 Soluble
87 F C 0.0000 Buried
88 T C -0.7440 Soluble
89 F C 0.0000 Buried
90 T C -0.2469 Soluble
91 I C 0.0000 Buried
92 S C -1.1222 Soluble
93 S C -0.8600 Soluble
94 V C 0.0000 Buried
95 Q C -0.8761 Soluble
96 A C -0.6587 Soluble
97 E C -1.8644 Soluble
98 D C 0.0000 Buried
99 L C -0.3131 Soluble
100 A C 0.0000 Buried
101 V C 0.0000 Buried
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 Q C 0.0000 Buried
106 Q C 0.0000 Buried
107 H C 0.0000 Buried
108 Y C 0.7888 Aggregation-prone
109 S C 0.1096 Aggregation-prone
114 P C -0.3686 Soluble
115 P C -0.6808 Soluble
116 Y C 0.0000 Buried
117 T C 0.0200 Aggregation-prone
118 F C 0.0000 Buried
119 G C 0.0000 Buried
120 G C -0.5782 Soluble
121 G C 0.0000 Buried
122 T C 0.0000 Buried
123 K C -0.7330 Soluble
124 L C 0.0000 Buried
125 E C 0.0000 Buried
126 I C -0.6200 Soluble
127 K C -1.7267 Soluble
128 R C -1.4458 Soluble
129 T C -0.3000 Soluble
130 V C 0.2790 Aggregation-prone
131 A C -0.0065 Soluble
132 A C -0.1553 Soluble
133 P C 0.0000 Buried
134 S C -0.1938 Soluble
135 V C 0.0000 Buried
136 F C 0.1564 Aggregation-prone
137 I C 0.1650 Aggregation-prone
138 F C 0.0000 Buried
139 P C -0.6662 Soluble
140 P C 0.0000 Buried
141 S C -1.6791 Soluble
142 D C -2.9104 Soluble
143 E C -2.6609 Soluble
144 Q C 0.0000 Buried
145 L C -2.1015 Soluble
146 K C -2.7634 Soluble
147 S C -1.7386 Soluble
148 G C -1.3719 Soluble
149 T C -1.1787 Soluble
150 A C 0.0000 Buried
151 S C 0.0000 Buried
152 V C 0.0000 Buried
153 V C 0.0000 Buried
154 C C 0.0000 Buried
155 L C 0.0000 Buried
156 L C 0.0000 Buried
157 N C 0.0000 Buried
158 N C -0.9078 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.3723 Soluble
162 R C -1.8665 Soluble
163 E C -2.6179 Soluble
164 A C -1.9112 Soluble
165 K C -2.0313 Soluble
166 V C -0.9822 Soluble
167 Q C -0.5907 Soluble
168 W C 0.0000 Buried
169 K C -0.6889 Soluble
170 V C 0.0000 Buried
171 D C -2.0039 Soluble
172 N C -1.6752 Soluble
173 A C -0.4548 Soluble
174 L C 0.3732 Aggregation-prone
175 Q C -0.4938 Soluble
176 S C -0.7928 Soluble
177 G C -1.2591 Soluble
178 N C -1.5500 Soluble
179 S C -1.4139 Soluble
180 Q C -1.4554 Soluble
181 E C -1.8362 Soluble
182 S C -0.7106 Soluble
183 V C -0.4539 Soluble
184 T C -0.9550 Soluble
185 E C -2.0869 Soluble
186 Q C -1.7404 Soluble
187 D C -2.0349 Soluble
188 S C -1.9181 Soluble
189 K C -2.3929 Soluble
190 D C -2.0896 Soluble
191 S C -1.9643 Soluble
192 T C 0.0000 Buried
193 Y C 0.0000 Buried
194 S C 0.0000 Buried
195 L C 0.0000 Buried
196 S C 0.0000 Buried
197 S C 0.0000 Buried
198 T C -0.7223 Soluble
199 L C 0.0000 Buried
200 T C -0.6274 Soluble
201 L C -0.8052 Soluble
202 S C -1.0228 Soluble
203 K C -1.9791 Soluble
204 A C -1.7811 Soluble
205 D C -2.4369 Soluble
206 Y C 0.0000 Buried
207 E C -3.1550 Soluble
208 K C -3.4128 Soluble
209 H C -2.9072 Soluble
210 K C -3.0970 Soluble
211 V C -1.2578 Soluble
212 Y C 0.0000 Buried
213 A C -0.7387 Soluble
214 C C 0.0000 Buried
215 E C -0.7497 Soluble
216 V C 0.0000 Buried
217 T C -1.0962 Soluble
218 H C 0.0000 Buried
219 Q C -1.5992 Soluble
220 G C -0.4292 Soluble
221 L C -0.2044 Soluble
222 S C -0.4350 Soluble
223 S C -0.4102 Soluble
224 P C -0.5626 Soluble
225 V C -0.0367 Soluble
226 T C -0.4374 Soluble
227 K C -0.5973 Soluble
228 S C -0.4662 Soluble
229 F C -0.9132 Soluble
230 N C -1.8463 Soluble
231 R C -2.4682 Soluble
232 G C -2.3354 Soluble
233 E C -2.5055 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
Color Legend (B-factor = A4D Score)
Score > 1.5 — highly aggregation-prone
Score 0.5–1.5 — aggregation-prone
Score ≈ 0 — buried
Score −1 to −0.5 — soluble
Score < −2.5 — highly soluble
pH Structure
Load structure at specific pH condition
A4D Score Threshold
Highlight residues > threshold in the sequence panel
CDR Regions
HCDR1
HCDR2
HCDR3
LCDR1
LCDR2
LCDR3
Display Options

pH-Dependent Aggregation Profiles

A4D scores calculated across 11 pH conditions (4.0–9.0, step 0.5). Click a row to view the structure at that pH. The input structure is globular — max score is recommended for pH analysis.

pH Avg A4D Score Max A4D Score Downloads
4.0 -0.6223 3.4101 CSV PDB
4.5 -0.6698 3.3659 CSV PDB
5.0 -0.7243 3.3177 CSV PDB
5.5 -0.7755 3.2679 CSV PDB
6.0 -0.8116 3.2176 CSV PDB
6.5 -0.8242 3.1674 CSV PDB
7.0 -0.8144 3.1174 CSV PDB
7.5 -0.7903 3.0685 CSV PDB
8.0 -0.7579 3.0226 CSV PDB
8.5 -0.7187 2.9839 CSV PDB
9.0 -0.672 2.9571 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH