Zanidatamab / 4llu

A4DAB304_4llu_C_D | Source PDB: 4llu | Chains: C, D | Done
98.23
Yes
10 Å
Yes
Avg A4D Score
-0.6905
Max Score
1.743
Min Score
-3.2171
Total Score
-294.15
Score CDR
-0.1957
Score non-CDR
-0.7504

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTFTDYTMDWVRQAPGKGLEWVADVNPNSGGSIYNQRFKGRFTLSVDRSKNTLYLQMNSLRAEDTAVYYCARNLGPSFYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQMTQSPSSLSASVGDRVTITCKASQDVSIGVAWYQQKPGKAPKLLIYSASYRYTGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYYIYPYTFGQGTKVEIPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAP 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 -3.2171
Maximum Score 1.743
Average Score -0.6905
Total Score -294.1455

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

Index Residue Chain A4D Score Classification
1 E C -2.2673 Soluble
2 V C 0.0000 Buried
3 Q C -1.4402 Soluble
4 L C 0.0000 Buried
5 V C 1.0774 Aggregation-prone
6 E C 0.0000 Buried
7 S C -0.3813 Soluble
8 G C -0.8829 Soluble
9 G C -0.6120 Soluble
11 G C 0.0000 Buried
12 L C -0.1384 Soluble
13 V C 0.0000 Buried
14 Q C -1.5308 Soluble
15 P C -1.8727 Soluble
16 G C -1.5250 Soluble
17 G C -1.1663 Soluble
18 S C -1.1668 Soluble
19 L C -1.1600 Soluble
20 R C -2.1444 Soluble
21 L C 0.0000 Buried
22 S C -0.2851 Soluble
23 C C 0.0000 Buried
24 A C -0.3062 Soluble
25 A C 0.0000 Buried
26 S C -1.1179 Soluble
27 G C -1.3462 Soluble
28 F C -0.7880 Soluble
29 T C -0.8555 Soluble
30 F C 0.0000 Buried
35 T C -1.7290 Soluble
36 D C -1.7025 Soluble
37 Y C -0.4413 Soluble
38 T C -0.2370 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 Q C -0.6986 Soluble
45 A C -1.1623 Soluble
46 P C -1.0454 Soluble
47 G C -1.4994 Soluble
48 K C -2.3708 Soluble
49 G C -1.6018 Soluble
50 L C 0.0000 Buried
51 E C -0.6311 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 -1.1881 Soluble
58 P C 0.0000 Buried
59 N C -2.2235 Soluble
62 S C -1.2991 Soluble
63 G C -1.0856 Soluble
64 G C -0.6559 Soluble
65 S C 0.4767 Aggregation-prone
66 I C 1.5954 Aggregation-prone
67 Y C 0.0414 Aggregation-prone
68 N C -1.0692 Soluble
69 Q C -2.5406 Soluble
70 R C -2.9207 Soluble
71 F C 0.0000 Buried
72 K C -2.4042 Soluble
74 G C -1.8284 Soluble
75 R C -1.6677 Soluble
76 F C 0.0000 Buried
77 T C -0.7036 Soluble
78 L C 0.0000 Buried
79 S C -0.5679 Soluble
80 V C -1.0993 Soluble
81 D C -2.0998 Soluble
82 R C -3.1404 Soluble
83 S C -2.2046 Soluble
84 K C -2.8409 Soluble
85 N C -2.3737 Soluble
86 T C 0.0000 Buried
87 L C 0.0000 Buried
88 Y C -0.5204 Soluble
89 L C 0.0000 Buried
90 Q C -1.5613 Soluble
91 M C 0.0000 Buried
92 N C -1.4644 Soluble
93 S C -1.3771 Soluble
94 L C 0.0000 Buried
95 R C -2.8228 Soluble
96 A C -1.9664 Soluble
97 E C -2.3979 Soluble
98 D C 0.0000 Buried
99 T C -0.8631 Soluble
100 A C 0.0000 Buried
101 V C 0.1798 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 1.1418 Aggregation-prone
109 G C 0.1491 Aggregation-prone
110 P C 0.3753 Aggregation-prone
112 S C 0.8083 Aggregation-prone
113 F C 0.9809 Aggregation-prone
114 Y C 0.7006 Aggregation-prone
115 F C 0.0000 Buried
116 D C -0.0400 Soluble
117 Y C -0.3547 Soluble
118 W C -0.4737 Soluble
119 G C 0.0000 Buried
120 Q C -1.3283 Soluble
121 G C -0.5976 Soluble
122 T C 0.0190 Aggregation-prone
123 L C 0.2097 Aggregation-prone
124 V C 0.0000 Buried
125 T C 0.0000 Buried
126 V C 0.0000 Buried
127 S C -1.0306 Soluble
128 S C -0.6464 Soluble
129 A C -0.4753 Soluble
130 S C -0.6128 Soluble
131 T C -0.6991 Soluble
132 K C -1.2996 Soluble
133 G C -1.5497 Soluble
134 P C -0.8210 Soluble
135 S C -0.4528 Soluble
136 V C 0.0000 Buried
137 F C 0.0000 Buried
138 P C -1.1774 Soluble
139 L C 0.0000 Buried
140 A C -1.2952 Soluble
141 P C 0.0000 Buried
142 S C -1.3957 Soluble
143 S C -1.3858 Soluble
144 K C -1.9665 Soluble
145 S C -1.1335 Soluble
146 T C -1.0592 Soluble
147 S C -0.9332 Soluble
148 G C -0.9117 Soluble
149 G C -0.9042 Soluble
150 T C -0.6553 Soluble
151 A C 0.0000 Buried
152 A C -0.3420 Soluble
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 -0.4538 Soluble
159 D C -0.7085 Soluble
160 Y C 0.0000 Buried
161 F C 0.0000 Buried
162 P C 0.0000 Buried
163 E C -0.4228 Soluble
164 P C -0.7115 Soluble
165 V C 0.0000 Buried
166 T C -0.6324 Soluble
167 V C -0.4230 Soluble
168 S C -0.3134 Soluble
169 W C 0.0000 Buried
170 N C -0.6798 Soluble
171 S C -0.6049 Soluble
172 G C -0.3778 Soluble
173 A C -0.1648 Soluble
174 L C 0.0825 Aggregation-prone
175 T C -0.1598 Soluble
176 S C -0.2629 Soluble
177 G C -0.3544 Soluble
178 V C 0.0823 Aggregation-prone
179 H C -0.2606 Soluble
180 T C -0.1195 Soluble
181 F C 0.0000 Buried
182 P C -0.1310 Soluble
183 A C 0.2604 Aggregation-prone
184 V C 0.0000 Buried
185 L C 1.1816 Aggregation-prone
186 Q C 0.0000 Buried
187 S C -0.0281 Soluble
188 S C -0.1945 Soluble
189 G C 0.0122 Aggregation-prone
190 L C 0.0346 Aggregation-prone
191 Y C 0.3180 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 -0.2611 Soluble
199 V C 0.0000 Buried
200 P C -0.6790 Soluble
201 S C -0.6536 Soluble
202 S C -0.6684 Soluble
203 S C -0.6457 Soluble
204 L C -0.8657 Soluble
205 G C -1.0048 Soluble
206 T C -0.9320 Soluble
207 Q C -1.2626 Soluble
208 T C -1.0589 Soluble
209 Y C 0.0000 Buried
210 I C -1.0953 Soluble
211 C C 0.0000 Buried
212 N C -1.5086 Soluble
213 V C 0.0000 Buried
214 N C -1.8778 Soluble
215 H C 0.0000 Buried
216 K C -2.7790 Soluble
217 P C -1.5703 Soluble
218 S C -1.8666 Soluble
219 N C -2.4363 Soluble
220 T C -2.0881 Soluble
221 K C -2.6676 Soluble
222 V C -1.5382 Soluble
223 D C -2.5427 Soluble
224 K C -2.0328 Soluble
225 K C -2.4698 Soluble
226 V C 0.0000 Buried
227 E C -2.8703 Soluble
228 P C -1.9875 Soluble
229 K C -2.3061 Soluble
1 D D -1.8297 Soluble
2 I D -1.4204 Soluble
3 Q D -1.9210 Soluble
4 M D 0.0000 Buried
5 T D -1.2738 Soluble
6 Q D 0.0000 Buried
7 S D -0.6352 Soluble
8 P D -0.4953 Soluble
9 S D -0.8978 Soluble
10 S D -0.9240 Soluble
11 L D -0.3583 Soluble
12 S D -0.3093 Soluble
13 A D -0.1754 Soluble
14 S D -0.0446 Soluble
15 V D 0.6117 Aggregation-prone
16 G D -0.8970 Soluble
17 D D -1.9995 Soluble
18 R D -2.4925 Soluble
19 V D 0.0000 Buried
20 T D -0.6745 Soluble
21 I D 0.0000 Buried
22 T D -0.7746 Soluble
23 C D 0.0000 Buried
24 K D -2.4290 Soluble
25 A D -2.1646 Soluble
26 S D -2.1058 Soluble
27 Q D -2.8293 Soluble
28 D D -2.5529 Soluble
29 V D 0.0000 Buried
36 S D -0.7015 Soluble
37 I D 0.3325 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 Q D 0.0000 Buried
45 K D -2.5083 Soluble
46 P D -1.8152 Soluble
47 G D -1.8578 Soluble
48 K D -2.7971 Soluble
49 A D -1.7120 Soluble
50 P D 0.0000 Buried
51 K D -1.4478 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.5615 Aggregation-prone
56 S D 0.4655 Aggregation-prone
57 A D 0.0000 Buried
65 S D 0.2546 Aggregation-prone
66 Y D 0.6434 Aggregation-prone
67 R D -0.8677 Soluble
68 Y D -0.4356 Soluble
69 T D -0.4373 Soluble
70 G D -0.7184 Soluble
71 V D 0.0000 Buried
72 P D -0.6082 Soluble
74 S D -0.7593 Soluble
75 R D -0.9803 Soluble
76 F D 0.0000 Buried
77 S D -0.4159 Soluble
78 G D -0.2092 Soluble
79 S D -0.3382 Soluble
80 G D -0.9082 Soluble
83 S D -0.9892 Soluble
84 G D -1.5588 Soluble
85 T D -2.0655 Soluble
86 D D -2.3765 Soluble
87 F D 0.0000 Buried
88 T D -0.7313 Soluble
89 L D 0.0000 Buried
90 T D -0.7771 Soluble
91 I D 0.0000 Buried
92 S D -1.5377 Soluble
93 S D -1.1711 Soluble
94 L D 0.0000 Buried
95 Q D -1.0209 Soluble
96 P D -1.0335 Soluble
97 E D -2.2151 Soluble
98 D D 0.0000 Buried
99 F D -1.0099 Soluble
100 A D -1.2243 Soluble
101 T D -1.2564 Soluble
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 1.7430 Aggregation-prone
109 I D 1.6499 Aggregation-prone
114 Y D 1.3963 Aggregation-prone
115 P D 0.0000 Buried
116 Y D 0.6775 Aggregation-prone
117 T D -0.1254 Soluble
118 F D -0.3401 Soluble
119 G D 0.0000 Buried
120 Q D -1.6090 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 K D -1.9775 Soluble
124 V D 0.0000 Buried
125 E D -0.5873 Soluble
126 I D 0.6229 Aggregation-prone
127 P D -0.9652 Soluble
128 K D -2.1528 Soluble
129 A D -1.3007 Soluble
130 A D -0.7522 Soluble
131 P D 0.0000 Buried
132 S D -0.5039 Soluble
133 V D 0.0000 Buried
134 T D -0.6086 Soluble
135 L D 0.0000 Buried
136 F D 0.0000 Buried
137 P D -0.1256 Soluble
138 P D 0.0000 Buried
139 S D -1.1331 Soluble
140 S D -1.5292 Soluble
141 E D -2.2057 Soluble
142 E D 0.0000 Buried
143 L D -2.2931 Soluble
144 Q D -2.3619 Soluble
145 A D -2.0054 Soluble
146 N D -2.8316 Soluble
147 K D -2.9340 Soluble
148 A D 0.0000 Buried
149 T D 0.0000 Buried
150 L D 0.0000 Buried
151 V D 0.0000 Buried
152 C D 0.0000 Buried
153 L D 0.0000 Buried
154 I D 0.0000 Buried
155 S D -0.5945 Soluble
156 D D -1.1406 Soluble
157 F D 0.0000 Buried
158 Y D -1.0445 Soluble
159 P D -0.9235 Soluble
160 G D -0.5097 Soluble
161 A D -0.1728 Soluble
162 V D 0.0040 Aggregation-prone
163 T D -0.0620 Soluble
164 V D 0.0898 Aggregation-prone
165 A D -0.3978 Soluble
166 W D 0.0000 Buried
167 K D -1.0566 Soluble
168 A D -1.2502 Soluble
169 D D -1.3648 Soluble
170 S D -0.9370 Soluble
171 S D -0.8678 Soluble
172 P D -0.9378 Soluble
173 V D -0.7755 Soluble
174 K D -1.5757 Soluble
175 A D -0.6606 Soluble
176 G D -0.3276 Soluble
177 V D 0.1891 Aggregation-prone
178 E D 0.1050 Aggregation-prone
179 T D 0.1622 Aggregation-prone
180 T D 0.0473 Aggregation-prone
181 T D -0.1080 Soluble
182 P D -0.3101 Soluble
183 S D -0.6789 Soluble
184 K D -1.4039 Soluble
185 Q D -1.3919 Soluble
186 S D -1.6315 Soluble
187 N D -2.1073 Soluble
188 N D -1.5747 Soluble
189 K D -1.4817 Soluble
190 Y D -0.9049 Soluble
191 A D 0.0000 Buried
192 A D 0.0000 Buried
193 S D 0.0000 Buried
194 S D 0.0000 Buried
195 Y D 0.0000 Buried
196 L D 0.0000 Buried
197 S D -0.5070 Soluble
198 L D 0.0000 Buried
199 T D -1.9531 Soluble
200 P D -2.6216 Soluble
201 E D -3.2171 Soluble
202 Q D -2.3403 Soluble
203 W D 0.0000 Buried
204 K D -3.1147 Soluble
205 S D -2.4310 Soluble
206 H D -2.3669 Soluble
207 R D -2.5153 Soluble
208 S D -1.5849 Soluble
209 Y D 0.0000 Buried
210 S D 0.0000 Buried
211 C D 0.0000 Buried
212 Q D -1.1996 Soluble
213 V D 0.0000 Buried
214 T D -0.6720 Soluble
215 H D 0.0000 Buried
216 E D -2.2612 Soluble
217 G D -1.5750 Soluble
218 S D -0.9110 Soluble
219 T D -0.7509 Soluble
220 V D -0.7986 Soluble
221 E D -2.1019 Soluble
222 K D -1.7805 Soluble
223 T D -1.1738 Soluble
224 V D 0.0000 Buried
225 A D -0.9480 Soluble
226 P D -1.1739 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 -0.7281 2.7194 CSV PDB
4.5 -0.7613 2.6992 CSV PDB
5.0 -0.8003 2.6992 CSV PDB
5.5 -0.8361 2.6992 CSV PDB
6.0 -0.8575 2.6992 CSV PDB
6.5 -0.8562 2.6992 CSV PDB
7.0 -0.8331 2.6992 CSV PDB
7.5 -0.7959 2.6992 CSV PDB
8.0 -0.7514 2.699 CSV PDB
8.5 -0.7023 2.6984 CSV PDB
9.0 -0.6488 2.7404 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH