Zanidatamab / 4lly

A4DAB304_4lly_C_D | Source PDB: 4lly | Chains: C, D | Done
96.46
Yes
10 Å
Yes
Avg A4D Score
-0.6976
Max Score
1.4639
Min Score
-3.1467
Total Score
-299.27
Score CDR
-0.2449
Score non-CDR
-0.752

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTFTDYTMDWVRKAPGKGLEWVADVNPNSGGSIYNQEFKGRFTLSVDRSKNTLYLQMNSLRAEDTAVYYCARNLGPSFYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVATGPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKRIQMTQSPSSLSASVGDRVTITCKASQDVSIGVAWYQDKPGKAPKLLIYSASYRYTGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYYIYPYTFGQGTKVEIKGQPKAAPSVTLFPPSSEELQANKATLVCYISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAAWSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAP input.pdb
Selected Chain(s) C (Heavy), D (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 -3.1467
Maximum Score 1.4639
Average Score -0.6976
Total Score -299.2741

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

Index Residue Chain A4D Score Classification
1 E C -2.1327 Soluble
2 V C -1.2974 Soluble
3 Q C -1.3519 Soluble
4 L C 0.0000 Buried
5 V C 0.7654 Aggregation-prone
6 E C 0.0000 Buried
7 S C -0.3902 Soluble
8 G C -1.0042 Soluble
9 G C -0.6857 Soluble
11 G C 0.0000 Buried
12 L C -0.1615 Soluble
13 V C 0.0000 Buried
14 Q C -1.6392 Soluble
15 P C -1.6641 Soluble
16 G C -1.3742 Soluble
17 G C -1.0950 Soluble
18 S C -1.2137 Soluble
19 L C -1.1051 Soluble
20 R C -1.9727 Soluble
21 L C 0.0000 Buried
22 S C -0.2640 Soluble
23 C C 0.0000 Buried
24 A C -0.1909 Soluble
25 A C 0.0000 Buried
26 S C -1.0381 Soluble
27 G C -1.1904 Soluble
28 F C -0.7047 Soluble
29 T C -0.6000 Soluble
30 F C 0.0000 Buried
35 T C -1.7145 Soluble
36 D C -1.7615 Soluble
37 Y C -0.5913 Soluble
38 T C -0.3962 Soluble
39 M C 0.0000 Buried
40 D C 0.0000 Buried
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 R C 0.0000 Buried
44 K C -0.9707 Soluble
45 A C 0.0000 Buried
46 P C -1.1795 Soluble
47 G C -1.5863 Soluble
48 K C -2.4492 Soluble
49 G C -1.6935 Soluble
50 L C 0.0000 Buried
51 E C -1.3412 Soluble
52 W C 0.0000 Buried
53 V C 0.0000 Buried
54 A C 0.0000 Buried
55 D C 0.0000 Buried
56 V C 0.0000 Buried
57 N C -1.3719 Soluble
58 P C 0.0000 Buried
59 N C -2.2175 Soluble
62 S C -1.2645 Soluble
63 G C -1.3297 Soluble
64 G C -0.6138 Soluble
65 S C 0.3831 Aggregation-prone
66 I C 1.3552 Aggregation-prone
67 Y C -0.0822 Soluble
68 N C 0.0000 Buried
69 Q C -2.1578 Soluble
70 E C -2.4002 Soluble
71 F C 0.0000 Buried
72 K C -2.4019 Soluble
74 G C -1.7815 Soluble
75 R C -1.3689 Soluble
76 F C 0.0000 Buried
77 T C -0.5631 Soluble
78 L C 0.0000 Buried
79 S C -0.3673 Soluble
80 V C -1.0105 Soluble
81 D C -1.7773 Soluble
82 R C -2.9751 Soluble
83 S C -2.1245 Soluble
84 K C -2.6825 Soluble
85 N C -2.0691 Soluble
86 T C -1.0949 Soluble
87 L C 0.0000 Buried
88 Y C -0.2293 Soluble
89 L C 0.0000 Buried
90 Q C -1.0330 Soluble
91 M C 0.0000 Buried
92 N C -1.2430 Soluble
93 S C -1.1301 Soluble
94 L C 0.0000 Buried
95 R C -1.9842 Soluble
96 A C -1.5700 Soluble
97 E C -2.1433 Soluble
98 D C 0.0000 Buried
99 T C -0.6667 Soluble
100 A C 0.0000 Buried
101 V C 0.1968 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 R C 0.0000 Buried
107 N C 0.0000 Buried
108 L C 0.9462 Aggregation-prone
109 G C -0.0053 Soluble
110 P C 0.2729 Aggregation-prone
112 S C 0.6822 Aggregation-prone
113 F C 0.8138 Aggregation-prone
114 Y C 0.6145 Aggregation-prone
115 F C 0.0000 Buried
116 D C -0.0622 Soluble
117 Y C -0.2613 Soluble
118 W C -0.4873 Soluble
119 G C 0.0000 Buried
120 Q C -1.4103 Soluble
121 G C -0.6316 Soluble
122 T C -0.0335 Soluble
123 L C 0.1709 Aggregation-prone
124 V C 0.0000 Buried
125 T C -0.4519 Soluble
126 V C 0.0000 Buried
127 S C -0.9354 Soluble
128 S C -0.7212 Soluble
129 A C -0.4893 Soluble
130 S C -0.6577 Soluble
131 T C -0.8237 Soluble
132 K C -1.3224 Soluble
133 G C -1.5006 Soluble
134 P C -0.6669 Soluble
135 S C -0.3382 Soluble
136 V C 0.0000 Buried
137 F C 0.0000 Buried
138 P C -1.0177 Soluble
139 L C 0.0000 Buried
140 A C -1.4249 Soluble
141 P C 0.0000 Buried
142 S C -1.5051 Soluble
143 S C -1.4298 Soluble
144 K C -2.0581 Soluble
145 S C -1.0603 Soluble
146 T C -1.0405 Soluble
147 S C -0.9850 Soluble
148 G C -0.8515 Soluble
149 G C -0.9348 Soluble
150 T C -0.6678 Soluble
151 A C 0.0000 Buried
152 A C 0.0000 Buried
153 L C 0.0000 Buried
154 G C 0.0000 Buried
155 C C 0.0000 Buried
156 L C 0.0000 Buried
157 V C 0.0000 Buried
158 K C 0.0000 Buried
159 D C -0.2945 Soluble
160 Y C 0.0000 Buried
161 F C -0.2984 Soluble
162 P C 0.0000 Buried
163 E C -0.6555 Soluble
164 P C -0.7234 Soluble
165 V C -0.6974 Soluble
166 T C -0.5737 Soluble
167 V C -0.2921 Soluble
168 S C -0.2812 Soluble
169 W C 0.0000 Buried
170 N C -0.6511 Soluble
171 S C -0.5368 Soluble
172 G C -0.4639 Soluble
173 A C -0.1760 Soluble
174 L C 0.0670 Aggregation-prone
175 T C -0.1335 Soluble
176 S C -0.2282 Soluble
177 G C -0.3793 Soluble
178 V C 0.1525 Aggregation-prone
179 A C -0.0936 Soluble
180 T C -0.0318 Soluble
181 G C 0.0000 Buried
182 P C 0.0171 Aggregation-prone
183 A C 0.1516 Aggregation-prone
184 V C 0.0000 Buried
185 L C 1.0073 Aggregation-prone
186 Q C 0.0488 Aggregation-prone
187 S C -0.3109 Soluble
188 S C -0.2447 Soluble
189 G C -0.0039 Soluble
190 L C 0.1065 Aggregation-prone
191 Y C 0.3455 Aggregation-prone
192 S C 0.0000 Buried
193 L C 0.0000 Buried
194 S C 0.0000 Buried
195 S C 0.0000 Buried
196 V C 0.0000 Buried
197 V C 0.0000 Buried
198 T C -0.1899 Soluble
199 V C 0.0000 Buried
200 P C -0.5416 Soluble
201 S C -0.6031 Soluble
202 S C -0.5821 Soluble
203 S C -0.5675 Soluble
204 L C -0.7286 Soluble
205 G C -0.9129 Soluble
206 T C -0.6806 Soluble
207 Q C -0.8965 Soluble
208 T C -1.0034 Soluble
209 Y C 0.0000 Buried
210 I C -0.9478 Soluble
211 C C 0.0000 Buried
212 N C -1.3156 Soluble
213 V C 0.0000 Buried
214 N C -1.9731 Soluble
215 H C 0.0000 Buried
216 K C -2.8370 Soluble
217 P C -1.5984 Soluble
218 S C -1.8830 Soluble
219 N C -2.4907 Soluble
220 T C -2.1575 Soluble
221 K C -2.6897 Soluble
222 V C -1.5144 Soluble
223 D C -2.1385 Soluble
224 K C -1.8998 Soluble
225 K C -2.2848 Soluble
226 V C 0.0000 Buried
227 E C -2.6981 Soluble
228 P C -2.0644 Soluble
229 K C -2.4590 Soluble
1 R D -2.1027 Soluble
2 I D -1.5186 Soluble
3 Q D -2.0990 Soluble
4 M D 0.0000 Buried
5 T D -1.3195 Soluble
6 Q D 0.0000 Buried
7 S D -0.6297 Soluble
8 P D -0.6724 Soluble
9 S D -0.9378 Soluble
10 S D -1.1682 Soluble
11 L D -0.9136 Soluble
12 S D -1.3204 Soluble
13 A D 0.0000 Buried
14 S D -1.1672 Soluble
15 V D -0.3625 Soluble
16 G D -0.8600 Soluble
17 D D -1.7346 Soluble
18 R D -2.3183 Soluble
19 V D 0.0000 Buried
20 T D -0.6279 Soluble
21 I D 0.0000 Buried
22 T D -0.8461 Soluble
23 C D 0.0000 Buried
24 K D -2.7419 Soluble
25 A D 0.0000 Buried
26 S D -2.1746 Soluble
27 Q D -2.6910 Soluble
28 D D -2.6363 Soluble
29 V D 0.0000 Buried
36 S D -0.5052 Soluble
37 I D 0.5412 Aggregation-prone
38 G D 0.0000 Buried
39 V D 0.0000 Buried
40 A D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D 0.0000 Buried
44 D D -1.3854 Soluble
45 K D -1.7295 Soluble
46 P D -1.2527 Soluble
47 G D -1.7473 Soluble
48 K D -2.6522 Soluble
49 A D -1.6917 Soluble
50 P D 0.0000 Buried
51 K D -1.5670 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.6511 Aggregation-prone
56 S D 0.6089 Aggregation-prone
57 A D 0.0000 Buried
65 S D 0.2348 Aggregation-prone
66 Y D 0.6895 Aggregation-prone
67 R D -0.6989 Soluble
68 Y D -0.3375 Soluble
69 T D -0.3815 Soluble
70 G D -0.7001 Soluble
71 V D 0.0000 Buried
72 P D -0.6194 Soluble
74 S D -0.7466 Soluble
75 R D -0.7777 Soluble
76 F D 0.0000 Buried
77 S D -0.4621 Soluble
78 G D -0.2698 Soluble
79 S D -0.4271 Soluble
80 G D -0.9803 Soluble
83 S D -1.0399 Soluble
84 G D -1.6719 Soluble
85 T D -2.2905 Soluble
86 D D -2.7605 Soluble
87 F D 0.0000 Buried
88 T D -0.8318 Soluble
89 L D 0.0000 Buried
90 T D -0.6099 Soluble
91 I D 0.0000 Buried
92 S D -1.3396 Soluble
93 S D -1.1780 Soluble
94 L D 0.0000 Buried
95 Q D -0.8701 Soluble
96 P D -1.4337 Soluble
97 E D -1.7078 Soluble
98 D D 0.0000 Buried
99 F D -1.0263 Soluble
100 A D 0.0000 Buried
101 T D 0.0000 Buried
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 Q D 0.0000 Buried
107 Y D 0.0000 Buried
108 Y D 1.4150 Aggregation-prone
109 I D 1.4639 Aggregation-prone
114 Y D 1.1023 Aggregation-prone
115 P D 0.0000 Buried
116 Y D 0.0000 Buried
117 T D -0.4291 Soluble
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.7864 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 K D -2.1234 Soluble
124 V D 0.0000 Buried
125 E D -1.6378 Soluble
126 I D 0.0000 Buried
127 K D -2.2997 Soluble
128 G D -1.4908 Soluble
129 Q D 0.0000 Buried
130 P D -1.5928 Soluble
131 K D -2.5133 Soluble
132 A D -1.4300 Soluble
133 A D -0.7572 Soluble
134 P D 0.0000 Buried
135 S D -0.5312 Soluble
136 V D 0.0000 Buried
137 T D -0.6287 Soluble
138 L D 0.0000 Buried
139 F D 0.0000 Buried
140 P D -0.3200 Soluble
141 P D 0.0000 Buried
142 S D -1.1827 Soluble
143 S D -1.7702 Soluble
144 E D -2.5631 Soluble
145 E D 0.0000 Buried
146 L D -2.1963 Soluble
147 Q D -2.3814 Soluble
148 A D -1.8891 Soluble
149 N D -2.5847 Soluble
150 K D -2.3730 Soluble
151 A D 0.0000 Buried
152 T D 0.0000 Buried
153 L D 0.0000 Buried
154 V D 0.0000 Buried
155 C D 0.0000 Buried
156 Y D 0.0000 Buried
157 I D 0.0000 Buried
158 S D -0.7329 Soluble
159 D D -1.5044 Soluble
160 F D 0.0000 Buried
161 Y D 0.0000 Buried
162 P D -1.5124 Soluble
163 G D -0.9644 Soluble
164 A D -0.2460 Soluble
165 V D -0.1675 Soluble
166 T D -0.1382 Soluble
167 V D 0.0639 Aggregation-prone
168 A D -0.4120 Soluble
169 W D 0.0000 Buried
170 K D -0.9274 Soluble
171 A D -1.0636 Soluble
172 D D -1.1820 Soluble
173 S D -0.7884 Soluble
174 S D -0.7229 Soluble
175 P D -0.8355 Soluble
176 V D -0.8560 Soluble
177 K D -1.7525 Soluble
178 A D -0.9258 Soluble
179 G D -0.8678 Soluble
180 V D -0.6932 Soluble
181 E D -0.8160 Soluble
182 T D -0.2085 Soluble
183 T D 0.0000 Buried
184 T D -0.1462 Soluble
185 P D -0.3603 Soluble
186 S D -0.6613 Soluble
187 K D -1.4905 Soluble
188 Q D -1.7844 Soluble
189 S D -1.9276 Soluble
190 N D -2.3393 Soluble
191 N D -2.4678 Soluble
192 K D -2.0838 Soluble
193 Y D 0.0000 Buried
194 A D 0.0000 Buried
195 A D 0.0000 Buried
196 W D 0.0000 Buried
197 S D 0.0000 Buried
198 Y D 0.0000 Buried
199 L D 0.0000 Buried
200 S D -0.6003 Soluble
201 L D -1.0765 Soluble
202 T D -1.6803 Soluble
203 P D -2.3815 Soluble
204 E D -3.1467 Soluble
205 Q D -2.3166 Soluble
206 W D 0.0000 Buried
207 K D -3.1124 Soluble
208 S D -2.4099 Soluble
209 H D -2.3524 Soluble
210 R D -2.4943 Soluble
211 S D -1.5112 Soluble
212 Y D 0.0000 Buried
213 S D 0.0000 Buried
214 C D 0.0000 Buried
215 Q D -0.7555 Soluble
216 V D 0.0000 Buried
217 T D -0.6060 Soluble
218 H D 0.0000 Buried
219 E D -2.2769 Soluble
220 G D -1.4590 Soluble
221 S D -0.8848 Soluble
222 T D -0.5440 Soluble
223 V D -0.2822 Soluble
224 E D -1.2540 Soluble
225 K D -1.3532 Soluble
226 T D -0.9958 Soluble
227 V D 0.0000 Buried
228 A D -0.9560 Soluble
229 P D -1.1831 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 -0.7433 2.6098 CSV PDB
4.5 -0.7758 2.6098 CSV PDB
5.0 -0.8133 2.6098 CSV PDB
5.5 -0.8471 2.6098 CSV PDB
6.0 -0.8663 2.6098 CSV PDB
6.5 -0.8621 2.6098 CSV PDB
7.0 -0.8348 2.6098 CSV PDB
7.5 -0.7931 2.6098 CSV PDB
8.0 -0.7441 2.6097 CSV PDB
8.5 -0.6909 2.6094 CSV PDB
9.0 -0.6341 2.6086 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH