Izalontamab / 5i2i

A4DAB149_5i2i_D_C | Source PDB: 5i2i | Chains: D, C | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.6472
Max Score
1.9938
Min Score
-3.6457
Total Score
-277.67
Score CDR
-0.278
Score non-CDR
-0.6916

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA input.pdb
Selected Chain(s) D (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 -3.6457
Maximum Score 1.9938
Average Score -0.6472
Total Score -277.6698

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

Index Residue Chain A4D Score Classification
1 Q D -1.3468 Soluble
2 V D -0.6460 Soluble
3 Q D -1.2392 Soluble
4 L D 0.0000 Buried
5 K D -2.0477 Soluble
6 Q D 0.0000 Buried
7 S D -0.7966 Soluble
8 G D -1.0037 Soluble
9 P D -0.4136 Soluble
11 G D -0.3288 Soluble
12 L D 0.0612 Aggregation-prone
13 V D -0.6768 Soluble
14 Q D -1.3307 Soluble
15 P D -1.3829 Soluble
16 S D -1.5250 Soluble
17 Q D -1.9464 Soluble
18 S D -1.5388 Soluble
19 L D 0.0000 Buried
20 S D -0.5694 Soluble
21 I D 0.0000 Buried
22 T D -0.4678 Soluble
23 C D 0.0000 Buried
24 T D -1.0162 Soluble
25 V D 0.0000 Buried
26 S D -0.8819 Soluble
27 G D -0.8427 Soluble
28 F D -0.4596 Soluble
29 S D -0.8683 Soluble
30 L D 0.0000 Buried
35 T D -0.8870 Soluble
36 N D -0.8095 Soluble
37 Y D 0.5219 Aggregation-prone
38 G D 0.0000 Buried
39 V D 0.0000 Buried
40 H D 0.0000 Buried
41 W D 0.0000 Buried
42 V D 0.0000 Buried
43 R D 0.0000 Buried
44 Q D -0.4359 Soluble
45 S D 0.0000 Buried
46 P D -1.2054 Soluble
47 G D -1.7641 Soluble
48 K D -2.2538 Soluble
49 G D -1.2300 Soluble
50 L D 0.0000 Buried
51 E D 0.0000 Buried
52 W D 0.0000 Buried
53 L D 0.0000 Buried
54 G D 0.0000 Buried
55 V D 0.0000 Buried
56 I D 0.0000 Buried
57 W D -0.4973 Soluble
58 S D -0.5598 Soluble
59 G D -1.2208 Soluble
63 G D -1.5419 Soluble
64 N D -1.8551 Soluble
65 T D -1.3188 Soluble
66 D D -1.0456 Soluble
67 Y D -0.3920 Soluble
68 N D 0.0000 Buried
69 T D -0.1900 Soluble
70 P D -0.3612 Soluble
71 F D 0.0000 Buried
72 T D -0.4546 Soluble
74 S D -0.5417 Soluble
75 R D -0.9244 Soluble
76 L D 0.0000 Buried
77 S D -0.9422 Soluble
78 I D 0.0000 Buried
79 N D -1.7217 Soluble
80 K D -1.4767 Soluble
81 D D -1.8352 Soluble
82 N D -2.2760 Soluble
83 S D -1.7189 Soluble
84 K D -2.3713 Soluble
85 S D -1.6153 Soluble
86 Q D -1.4866 Soluble
87 V D 0.0000 Buried
88 F D -0.2078 Soluble
89 F D 0.0000 Buried
90 K D -1.3601 Soluble
91 M D 0.0000 Buried
92 N D -1.5948 Soluble
93 S D -1.4141 Soluble
94 L D 0.0000 Buried
95 Q D -1.9785 Soluble
96 S D -1.4415 Soluble
97 N D -2.0375 Soluble
98 D D 0.0000 Buried
99 T D -0.5891 Soluble
100 A D 0.0000 Buried
101 I D 0.5082 Aggregation-prone
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 A D 0.0000 Buried
106 R D 0.0000 Buried
107 A D 0.0000 Buried
108 L D 0.9915 Aggregation-prone
109 T D 1.1030 Aggregation-prone
110 Y D 1.8096 Aggregation-prone
111 Y D 1.8830 Aggregation-prone
112 D D 0.9733 Aggregation-prone
113 Y D 0.5111 Aggregation-prone
114 E D 0.0000 Buried
115 F D 0.0000 Buried
116 A D 0.2685 Aggregation-prone
117 Y D 0.2623 Aggregation-prone
118 W D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.7658 Soluble
121 G D -0.8920 Soluble
122 T D 0.0000 Buried
123 L D 0.2783 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.2364 Soluble
126 V D 0.0000 Buried
127 S D -0.5721 Soluble
128 A D -0.2657 Soluble
129 A D -0.2338 Soluble
130 S D -0.4244 Soluble
131 T D -0.5633 Soluble
132 K D -1.1499 Soluble
133 G D -1.3386 Soluble
134 P D -0.6610 Soluble
135 S D -0.4012 Soluble
136 V D 0.0000 Buried
137 F D 0.0000 Buried
138 P D -1.1916 Soluble
139 L D 0.0000 Buried
140 A D -1.1352 Soluble
141 P D 0.0000 Buried
142 S D -0.6745 Soluble
143 S D -0.6514 Soluble
144 G D -0.8681 Soluble
145 G D -0.9113 Soluble
146 T D -0.6632 Soluble
147 A D -0.3706 Soluble
148 A D 0.0000 Buried
149 L D 0.0000 Buried
150 G D 0.0000 Buried
151 C D 0.0000 Buried
152 L D 0.0000 Buried
153 V D 0.0000 Buried
154 K D -0.2676 Soluble
155 D D -0.3513 Soluble
156 Y D 0.0000 Buried
157 F D 0.0000 Buried
158 P D 0.0000 Buried
159 E D -0.2203 Soluble
160 P D -0.5380 Soluble
161 V D 0.0000 Buried
162 T D -0.6471 Soluble
163 V D -0.4468 Soluble
164 S D -0.4017 Soluble
165 W D 0.0000 Buried
166 N D -0.8481 Soluble
167 S D -0.6545 Soluble
168 G D -0.4410 Soluble
169 A D -0.2114 Soluble
170 L D 0.0146 Aggregation-prone
171 T D -0.1420 Soluble
172 S D -0.1629 Soluble
173 G D -0.1719 Soluble
174 V D 0.1777 Aggregation-prone
175 H D -0.2817 Soluble
176 T D 0.0256 Aggregation-prone
177 F D 0.0000 Buried
178 P D -0.2530 Soluble
179 A D 0.2817 Aggregation-prone
180 V D 0.5698 Aggregation-prone
181 L D 1.3802 Aggregation-prone
182 Q D 0.3761 Aggregation-prone
183 S D -0.0509 Soluble
184 S D -0.1569 Soluble
185 G D 0.1461 Aggregation-prone
186 L D 0.2153 Aggregation-prone
187 Y D 0.5150 Aggregation-prone
188 S D 0.0000 Buried
189 L D 0.0000 Buried
190 S D 0.0000 Buried
191 S D 0.0000 Buried
192 V D 0.0000 Buried
193 V D 0.0000 Buried
194 T D -0.1245 Soluble
195 V D 0.0000 Buried
196 P D -0.6451 Soluble
197 S D -0.5923 Soluble
198 S D -0.5993 Soluble
199 S D -0.6039 Soluble
200 L D -0.8402 Soluble
201 G D -0.9907 Soluble
202 T D -0.7565 Soluble
203 Q D -1.3079 Soluble
204 T D -1.2398 Soluble
205 Y D 0.0000 Buried
206 I D -1.3961 Soluble
207 C D 0.0000 Buried
208 N D -1.4661 Soluble
209 V D 0.0000 Buried
210 N D -2.0182 Soluble
211 H D 0.0000 Buried
212 K D -2.5412 Soluble
213 P D -1.4199 Soluble
214 S D -1.7005 Soluble
215 N D -2.5011 Soluble
216 T D -2.0261 Soluble
217 K D -2.6427 Soluble
218 V D -1.4983 Soluble
219 D D -2.3500 Soluble
220 K D -2.0874 Soluble
221 R D -2.5918 Soluble
222 V D 0.0000 Buried
223 E D -2.6972 Soluble
224 P D -1.7691 Soluble
225 K D -2.3796 Soluble
1 D C -1.4204 Soluble
2 I C 0.0000 Buried
3 L C 0.6248 Aggregation-prone
4 L C 0.0000 Buried
5 T C -0.4353 Soluble
6 Q C -0.1731 Soluble
7 S C 0.1899 Aggregation-prone
8 P C 0.9099 Aggregation-prone
9 V C 1.9938 Aggregation-prone
10 I C 1.6215 Aggregation-prone
11 L C 0.7118 Aggregation-prone
12 S C -0.1094 Soluble
13 V C 0.0000 Buried
14 S C -1.6683 Soluble
15 P C -1.8980 Soluble
16 G C -2.2505 Soluble
17 E C -3.0260 Soluble
18 R C -3.4278 Soluble
19 V C 0.0000 Buried
20 S C -0.8794 Soluble
21 F C 0.0000 Buried
22 S C -0.8543 Soluble
23 C C 0.0000 Buried
24 R C -2.5504 Soluble
25 A C -1.3553 Soluble
26 S C -1.0047 Soluble
27 Q C -1.5352 Soluble
28 S C -1.4989 Soluble
29 I C 0.0000 Buried
36 G C -1.0351 Soluble
37 T C -0.7967 Soluble
38 N C -0.7766 Soluble
39 I C 0.0000 Buried
40 H 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 -1.2575 Soluble
45 R C -1.9988 Soluble
46 T C -1.7314 Soluble
47 N C -1.8480 Soluble
48 G C -1.5673 Soluble
49 S C -1.0246 Soluble
50 P C 0.0000 Buried
51 R C -0.6649 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 K C -0.7401 Soluble
56 Y C -0.5884 Soluble
57 A C 0.0000 Buried
65 S C -1.2265 Soluble
66 E C -1.9143 Soluble
67 S C -1.1484 Soluble
68 I C -0.4829 Soluble
69 S C -0.3344 Soluble
70 G C -0.4778 Soluble
71 I C -0.2796 Soluble
72 P C -0.3592 Soluble
74 S C -0.6775 Soluble
75 R C -1.3303 Soluble
76 F C 0.0000 Buried
77 S C -0.9834 Soluble
78 G C -0.7329 Soluble
79 S C -0.8996 Soluble
80 G C -1.1698 Soluble
83 S C -1.0319 Soluble
84 G C -1.3728 Soluble
85 T C -1.9986 Soluble
86 D C -2.7462 Soluble
87 F C 0.0000 Buried
88 T C -0.9159 Soluble
89 L C 0.0000 Buried
90 S C -1.0085 Soluble
91 I C 0.0000 Buried
92 N C -2.8346 Soluble
93 S C -2.4898 Soluble
94 V C 0.0000 Buried
95 E C -2.4963 Soluble
96 S C -2.1825 Soluble
97 E C -2.3181 Soluble
98 D C 0.0000 Buried
99 I C -1.4025 Soluble
100 A C 0.0000 Buried
101 D C -0.6360 Soluble
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 N C -0.6234 Soluble
108 N C -1.1724 Soluble
109 N C -1.0584 Soluble
114 W C 0.2042 Aggregation-prone
115 P C -0.1291 Soluble
116 T C 0.0000 Buried
117 T C -0.0164 Soluble
118 F C 0.1959 Aggregation-prone
119 G C 0.0000 Buried
120 A C 0.0472 Aggregation-prone
121 G C 0.1392 Aggregation-prone
122 T C 0.0000 Buried
123 K C -0.0067 Soluble
124 L C 0.0000 Buried
125 E C -0.6960 Soluble
126 L C 0.0000 Buried
127 K C -1.2710 Soluble
128 R C -0.9119 Soluble
129 T C 0.2677 Aggregation-prone
130 V C 1.1490 Aggregation-prone
131 A C 0.5369 Aggregation-prone
132 A C 0.1084 Aggregation-prone
133 P C 0.0000 Buried
134 S C -0.2579 Soluble
135 V C 0.0000 Buried
136 F C 0.0695 Aggregation-prone
137 I C 0.1719 Aggregation-prone
138 F C 0.0000 Buried
139 P C -0.4813 Soluble
140 P C -0.7124 Soluble
141 S C 0.0000 Buried
142 D C -2.8004 Soluble
143 E C -2.3045 Soluble
144 Q C 0.0000 Buried
145 L C -2.0661 Soluble
146 K C -2.5800 Soluble
147 S C -1.5998 Soluble
148 G C -1.1985 Soluble
149 T C -0.8425 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 -0.3370 Soluble
158 N C -0.7520 Soluble
159 F C 0.0000 Buried
160 Y C -0.5817 Soluble
161 P C -1.1191 Soluble
162 R C -2.1155 Soluble
163 E C -2.8493 Soluble
164 A C -2.1068 Soluble
165 K C -2.3395 Soluble
166 V C -1.0747 Soluble
167 Q C -0.6485 Soluble
168 W C 0.0000 Buried
169 K C -0.7994 Soluble
170 V C 0.0000 Buried
171 D C -2.2211 Soluble
172 N C -1.7551 Soluble
173 A C -0.4890 Soluble
174 L C 0.3575 Aggregation-prone
175 Q C -0.2684 Soluble
176 S C -0.4663 Soluble
177 G C -0.9188 Soluble
178 N C -0.8885 Soluble
179 S C -1.2000 Soluble
180 Q C -1.4277 Soluble
181 E C -2.1019 Soluble
182 S C -0.9429 Soluble
183 V C -0.7823 Soluble
184 T C -0.9737 Soluble
185 E C -2.0331 Soluble
186 Q C 0.0000 Buried
187 D C -2.0292 Soluble
188 S C -2.3916 Soluble
189 K C -2.6863 Soluble
190 D C -1.9226 Soluble
191 S C 0.0000 Buried
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 -0.6837 Soluble
199 L C 0.0000 Buried
200 T C -0.4634 Soluble
201 L C -0.6845 Soluble
202 S C -1.0375 Soluble
203 K C -1.9565 Soluble
204 A C -1.8624 Soluble
205 D C -2.6296 Soluble
206 Y C 0.0000 Buried
207 E C -3.4035 Soluble
208 K C -3.6457 Soluble
209 H C -3.1933 Soluble
210 K C -3.0495 Soluble
211 V C -1.4229 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -0.8043 Soluble
216 V C 0.0000 Buried
217 T C -1.2011 Soluble
218 H C 0.0000 Buried
219 Q C -1.5198 Soluble
220 G C -0.1836 Soluble
221 L C -0.1534 Soluble
222 S C -0.4588 Soluble
223 S C -0.4344 Soluble
224 P C -0.5462 Soluble
225 V C 0.0209 Aggregation-prone
226 T C -0.3515 Soluble
227 K C -0.3741 Soluble
228 S C -0.3823 Soluble
229 F C -0.5304 Soluble
230 N C -1.4351 Soluble
231 R C -2.0923 Soluble
232 G C -1.2773 Soluble
233 A C -0.6815 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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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
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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 -0.6479 3.0575 CSV PDB
4.5 -0.6854 2.999 CSV PDB
5.0 -0.7293 2.9255 CSV PDB
5.5 -0.7711 2.8455 CSV PDB
6.0 -0.8013 2.7632 CSV PDB
6.5 -0.8122 2.6801 CSV PDB
7.0 -0.8036 2.597 CSV PDB
7.5 -0.7821 2.5144 CSV PDB
8.0 -0.7535 2.4337 CSV PDB
8.5 -0.7193 2.3584 CSV PDB
9.0 -0.68 2.3258 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH