Izalontamab / 5i76

A4DAB149_5i76_B_A | Source PDB: 5i76 | Chains: B, A | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.6906
Max Score
2.2148
Min Score
-3.5759
Total Score
-299.73
Score CDR
-0.3198
Score non-CDR
-0.7346

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA input.pdb
Selected Chain(s) B (Heavy), A (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 -3.5759
Maximum Score 2.2148
Average Score -0.6906
Total Score -299.7273

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

Index Residue Chain A4D Score Classification
1 Q B -1.4699 Soluble
2 V B -0.9089 Soluble
3 Q B -1.6685 Soluble
4 L B 0.0000 Buried
5 K B -2.3417 Soluble
6 Q B 0.0000 Buried
7 S B -0.8654 Soluble
8 G B -1.2078 Soluble
9 P B -0.5534 Soluble
11 G B -0.4805 Soluble
12 L B 0.0285 Aggregation-prone
13 V B -0.6444 Soluble
14 Q B -1.3776 Soluble
15 P B -1.6948 Soluble
16 S B -1.7228 Soluble
17 Q B -2.1917 Soluble
18 S B -1.9883 Soluble
19 L B 0.0000 Buried
20 S B -0.8635 Soluble
21 I B 0.0000 Buried
22 T B -0.5225 Soluble
23 C B 0.0000 Buried
24 T B -1.2082 Soluble
25 V B 0.0000 Buried
26 S B -1.2655 Soluble
27 G B -0.9692 Soluble
28 F B -0.5431 Soluble
29 S B -0.9070 Soluble
30 L B 0.0000 Buried
35 T B -0.9097 Soluble
36 N B -0.8506 Soluble
37 Y B 0.4070 Aggregation-prone
38 G B 0.0000 Buried
39 V B 0.0000 Buried
40 H B 0.0000 Buried
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 R B 0.0000 Buried
44 Q B -0.4011 Soluble
45 S B -0.8274 Soluble
46 P B -0.8390 Soluble
47 G B -1.4151 Soluble
48 K B -1.8761 Soluble
49 G B -1.0012 Soluble
50 L B 0.0000 Buried
51 E B -0.5442 Soluble
52 W B 0.0000 Buried
53 L B 0.0000 Buried
54 G B 0.0000 Buried
55 V B 0.0000 Buried
56 I B 0.0000 Buried
57 W B -0.5533 Soluble
58 S B -0.6220 Soluble
59 G B -1.2200 Soluble
63 G B -1.5812 Soluble
64 N B -1.8491 Soluble
65 T B -1.3120 Soluble
66 D B -1.0234 Soluble
67 Y B -0.3348 Soluble
68 N B 0.0000 Buried
69 T B -0.1908 Soluble
70 P B -0.3455 Soluble
71 F B 0.0000 Buried
72 T B -0.4222 Soluble
74 S B -0.6446 Soluble
75 R B -1.2045 Soluble
76 L B 0.0000 Buried
77 S B -1.2184 Soluble
78 I B 0.0000 Buried
79 N B -1.8351 Soluble
80 K B -1.4562 Soluble
81 D B -1.7484 Soluble
82 N B -2.1220 Soluble
83 S B -1.6404 Soluble
84 K B -2.3321 Soluble
85 S B -1.5842 Soluble
86 Q B -1.5463 Soluble
87 V B 0.0000 Buried
88 F B -0.5412 Soluble
89 F B 0.0000 Buried
90 K B -1.8705 Soluble
91 M B 0.0000 Buried
92 N B -2.4550 Soluble
93 S B -1.8575 Soluble
94 L B 0.0000 Buried
95 Q B -2.2944 Soluble
96 S B -1.5496 Soluble
97 N B -2.0008 Soluble
98 D B 0.0000 Buried
99 T B -0.5133 Soluble
100 A B 0.0000 Buried
101 I B 0.5560 Aggregation-prone
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 A B 0.0000 Buried
108 L B 0.9866 Aggregation-prone
109 T B 1.0782 Aggregation-prone
110 Y B 1.7794 Aggregation-prone
111 Y B 1.8063 Aggregation-prone
112 D B 0.8509 Aggregation-prone
113 Y B 0.4430 Aggregation-prone
114 E B 0.0000 Buried
115 F B 0.0000 Buried
116 A B 0.2095 Aggregation-prone
117 Y B 0.0879 Aggregation-prone
118 W B -0.5557 Soluble
119 G B 0.0000 Buried
120 Q B -1.8496 Soluble
121 G B -0.8978 Soluble
122 T B 0.0000 Buried
123 L B 0.1876 Aggregation-prone
124 V B 0.0000 Buried
125 T B -0.3027 Soluble
126 V B 0.0000 Buried
127 S B -0.6440 Soluble
128 A B -0.3989 Soluble
129 A B -0.2619 Soluble
130 S B -0.4608 Soluble
131 T B -0.7034 Soluble
132 K B -1.1738 Soluble
133 G B -1.2758 Soluble
134 P B 0.0000 Buried
135 S B -0.2415 Soluble
136 V B 0.0000 Buried
137 F B 0.0000 Buried
138 P B -1.1477 Soluble
139 L B 0.0000 Buried
140 A B -1.1945 Soluble
141 P B 0.0000 Buried
142 S B -1.3381 Soluble
143 S B -1.4145 Soluble
144 K B -1.9423 Soluble
145 S B -1.1709 Soluble
146 T B -0.9756 Soluble
147 S B -0.9092 Soluble
148 G B -0.8396 Soluble
149 G B -0.9108 Soluble
150 T B -0.6053 Soluble
151 A B 0.0000 Buried
152 A B 0.0000 Buried
153 L B 0.0000 Buried
154 G B 0.0000 Buried
155 C B 0.0000 Buried
156 L B 0.0000 Buried
157 V B 0.0000 Buried
158 K B 0.0000 Buried
159 D B -0.3321 Soluble
160 Y B 0.0000 Buried
161 F B 0.0000 Buried
162 P B 0.0000 Buried
163 E B -0.5304 Soluble
164 P B -0.6924 Soluble
165 V B -0.6486 Soluble
166 T B -0.5737 Soluble
167 V B -0.3811 Soluble
168 S B -0.4175 Soluble
169 W B 0.0000 Buried
170 N B -0.7763 Soluble
171 S B -0.6788 Soluble
172 G B -0.5310 Soluble
173 A B -0.2486 Soluble
174 L B -0.0034 Soluble
175 T B -0.1811 Soluble
176 S B -0.1842 Soluble
177 G B -0.2125 Soluble
178 V B 0.1640 Aggregation-prone
179 H B -0.2534 Soluble
180 T B 0.0137 Aggregation-prone
181 F B 0.0000 Buried
182 P B -0.2640 Soluble
183 A B 0.1847 Aggregation-prone
184 V B 0.4128 Aggregation-prone
185 L B 1.1728 Aggregation-prone
186 Q B 0.2912 Aggregation-prone
187 S B -0.0631 Soluble
188 S B -0.2230 Soluble
189 G B 0.0057 Aggregation-prone
190 L B 0.1372 Aggregation-prone
191 Y B 0.4253 Aggregation-prone
192 S B 0.0000 Buried
193 L B 0.0000 Buried
194 S B 0.0000 Buried
195 S B 0.0000 Buried
196 V B 0.0000 Buried
197 V B 0.0000 Buried
198 T B -0.1192 Soluble
199 V B 0.0000 Buried
200 P B -0.6288 Soluble
201 S B -0.6281 Soluble
202 S B -0.5935 Soluble
203 S B -0.6154 Soluble
204 L B -0.7802 Soluble
205 G B -0.9529 Soluble
206 T B -0.6821 Soluble
207 Q B -1.1846 Soluble
208 T B -1.1220 Soluble
209 Y B 0.0000 Buried
210 I B -1.2477 Soluble
211 C B 0.0000 Buried
212 N B -1.5327 Soluble
213 V B 0.0000 Buried
214 N B -1.9353 Soluble
215 H B 0.0000 Buried
216 K B -2.7838 Soluble
217 P B -1.6009 Soluble
218 S B -1.7958 Soluble
219 N B -2.5618 Soluble
220 T B -2.0668 Soluble
221 K B -2.6640 Soluble
222 V B -1.4620 Soluble
223 D B -2.5697 Soluble
224 K B -2.0751 Soluble
225 R B -2.7166 Soluble
226 V B 0.0000 Buried
227 E B -2.9072 Soluble
228 P B -2.0150 Soluble
229 K B -2.3695 Soluble
230 S B -1.3085 Soluble
1 D A -1.3818 Soluble
2 I A -0.3999 Soluble
3 L A 0.7718 Aggregation-prone
4 L A 0.0000 Buried
5 T A 0.1041 Aggregation-prone
6 Q A 0.0000 Buried
7 S A 0.3659 Aggregation-prone
8 P A 1.0005 Aggregation-prone
9 V A 2.2148 Aggregation-prone
10 I A 2.0263 Aggregation-prone
11 L A 0.8241 Aggregation-prone
12 S A -0.1857 Soluble
13 V A 0.0000 Buried
14 S A -1.9065 Soluble
15 P A -2.1973 Soluble
16 G A -2.4556 Soluble
17 E A -3.2595 Soluble
18 R A -3.3994 Soluble
19 V A 0.0000 Buried
20 S A -0.8474 Soluble
21 F A 0.0000 Buried
22 S A -0.6200 Soluble
23 C A 0.0000 Buried
24 R A -1.7912 Soluble
25 A A -0.9821 Soluble
26 S A -0.8915 Soluble
27 Q A -1.8110 Soluble
28 S A -1.5826 Soluble
29 I A 0.0000 Buried
36 G A -1.0518 Soluble
37 T A -0.7887 Soluble
38 N A -0.7939 Soluble
39 I A 0.0000 Buried
40 H A 0.0000 Buried
41 W A 0.0000 Buried
42 Y A 0.0000 Buried
43 Q A 0.0000 Buried
44 Q A -1.1275 Soluble
45 R A -1.9283 Soluble
46 T A -1.5599 Soluble
47 N A -1.9401 Soluble
48 G A -1.4918 Soluble
49 S A -1.0557 Soluble
50 P A 0.0000 Buried
51 R A -0.7058 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 K A -0.7085 Soluble
56 Y A -0.5717 Soluble
57 A A 0.0000 Buried
65 S A -1.1842 Soluble
66 E A -1.8006 Soluble
67 S A -1.1049 Soluble
68 I A -0.5058 Soluble
69 S A -0.3521 Soluble
70 G A -0.4803 Soluble
71 I A -0.2665 Soluble
72 P A -0.4336 Soluble
74 S A -0.6072 Soluble
75 R A -1.0723 Soluble
76 F A 0.0000 Buried
77 S A -0.8486 Soluble
78 G A -0.6922 Soluble
79 S A -0.8756 Soluble
80 G A -1.1216 Soluble
83 S A -1.1819 Soluble
84 G A -1.3755 Soluble
85 T A -1.8428 Soluble
86 D A -2.5309 Soluble
87 F A 0.0000 Buried
88 T A -0.8204 Soluble
89 L A 0.0000 Buried
90 S A 0.0000 Buried
91 I A 0.0000 Buried
92 N A -2.6051 Soluble
93 S A -2.5907 Soluble
94 V A 0.0000 Buried
95 E A -3.2185 Soluble
96 S A -2.6243 Soluble
97 E A -2.8371 Soluble
98 D A 0.0000 Buried
99 I A 0.0000 Buried
100 A A 0.0000 Buried
101 D A 0.0000 Buried
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 Q A 0.0000 Buried
106 Q A 0.0000 Buried
107 N A -0.6834 Soluble
108 N A -1.3018 Soluble
109 N A -1.1935 Soluble
114 W A 0.0097 Aggregation-prone
115 P A 0.0000 Buried
116 T A 0.0000 Buried
117 T A -0.0879 Soluble
118 F A 0.2454 Aggregation-prone
119 G A 0.0000 Buried
120 A A 0.0242 Aggregation-prone
121 G A 0.2839 Aggregation-prone
122 T A 0.0000 Buried
123 K A -0.0907 Soluble
124 L A 0.0000 Buried
125 E A -0.7634 Soluble
126 L A 0.0000 Buried
127 K A -1.5671 Soluble
128 R A -1.2632 Soluble
129 T A -0.2331 Soluble
130 V A 0.2315 Aggregation-prone
131 A A -0.0686 Soluble
132 A A -0.1084 Soluble
133 P A 0.0000 Buried
134 S A -0.2172 Soluble
135 V A 0.0000 Buried
136 F A 0.0000 Buried
137 I A 0.0000 Buried
138 F A 0.0000 Buried
139 P A -0.5686 Soluble
140 P A 0.0000 Buried
141 S A -1.5236 Soluble
142 D A -2.7776 Soluble
143 E A -2.6286 Soluble
144 Q A 0.0000 Buried
145 L A -2.2134 Soluble
146 K A -2.7583 Soluble
147 S A -1.7184 Soluble
148 G A -1.3902 Soluble
149 T A -1.0257 Soluble
150 A A 0.0000 Buried
151 S A 0.0000 Buried
152 V A 0.0000 Buried
153 V A 0.0000 Buried
154 C A 0.0000 Buried
155 L A 0.0000 Buried
156 L A 0.0000 Buried
157 N A 0.0000 Buried
158 N A -0.7872 Soluble
159 F A 0.0000 Buried
160 Y A 0.0000 Buried
161 P A -1.5210 Soluble
162 R A -2.4628 Soluble
163 E A -2.9427 Soluble
164 A A -2.1797 Soluble
165 K A -2.3884 Soluble
166 V A -1.1863 Soluble
167 Q A -0.7203 Soluble
168 W A 0.0000 Buried
169 K A -0.8067 Soluble
170 V A 0.0000 Buried
171 D A -2.0714 Soluble
172 N A -1.6657 Soluble
173 A A -0.5023 Soluble
174 L A 0.2833 Aggregation-prone
175 Q A -0.5874 Soluble
176 S A -0.7133 Soluble
177 G A -1.1950 Soluble
178 N A -1.4142 Soluble
179 S A -1.4448 Soluble
180 Q A -1.5114 Soluble
181 E A -1.9617 Soluble
182 S A -0.9825 Soluble
183 V A -0.8456 Soluble
184 T A -0.8941 Soluble
185 E A -1.9190 Soluble
186 Q A 0.0000 Buried
187 D A -1.9342 Soluble
188 S A -2.4289 Soluble
189 K A -2.6950 Soluble
190 D A -1.8397 Soluble
191 S A 0.0000 Buried
192 T A 0.0000 Buried
193 Y A 0.0000 Buried
194 S A 0.0000 Buried
195 L A 0.0000 Buried
196 S A 0.0000 Buried
197 S A 0.0000 Buried
198 T A -0.7799 Soluble
199 L A 0.0000 Buried
200 T A -0.6047 Soluble
201 L A -0.8232 Soluble
202 S A -1.2798 Soluble
203 K A -2.0781 Soluble
204 A A -1.9497 Soluble
205 D A -2.7313 Soluble
206 Y A 0.0000 Buried
207 E A -3.3923 Soluble
208 K A -3.5759 Soluble
209 H A -2.8532 Soluble
210 K A -2.6875 Soluble
211 V A -1.3852 Soluble
212 Y A 0.0000 Buried
213 A A 0.0000 Buried
214 C A 0.0000 Buried
215 E A -0.7149 Soluble
216 V A 0.0000 Buried
217 T A -1.1813 Soluble
218 H A 0.0000 Buried
219 Q A -1.7289 Soluble
220 G A -0.4579 Soluble
221 L A -0.1999 Soluble
222 S A -0.4415 Soluble
223 S A -0.4060 Soluble
224 P A -0.5593 Soluble
225 V A -0.0689 Soluble
226 T A -0.4929 Soluble
227 K A -0.8534 Soluble
228 S A -0.7497 Soluble
229 F A -0.8175 Soluble
230 N A -1.4300 Soluble
231 R A -1.8325 Soluble
232 G A -1.1766 Soluble
233 A A -0.6405 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
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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 -0.7007 2.5301 CSV PDB
4.5 -0.7372 2.5308 CSV PDB
5.0 -0.7812 2.533 CSV PDB
5.5 -0.8244 2.5396 CSV PDB
6.0 -0.8563 2.5571 CSV PDB
6.5 -0.8679 2.5941 CSV PDB
7.0 -0.8578 2.6523 CSV PDB
7.5 -0.8327 2.7239 CSV PDB
8.0 -0.7995 2.8012 CSV PDB
8.5 -0.7609 2.8958 CSV PDB
9.0 -0.7171 3.0186 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH