Denrakibart / 5wk3

A4DAB084_5wk3_Q_P | Source PDB: 5wk3 | Chains: Q, P | Done
96.15
Yes
10 Å
Yes
Avg A4D Score
-0.6972
Max Score
1.3284
Min Score
-3.6374
Total Score
-305.39
Score CDR
-0.3116
Score non-CDR
-0.7515

Calculation Parameters

Chain Sequence(s) EVQLVQSGAEVKKPGESLKISCKGSGYSFTSYWIGWVRQMPGKGLEWMGIIDPSDSDTRYSPSFQGQVTISADKSISTAYLQWSSLKASDTAMYYCARVGPADVWDSFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIVMTQSPDSLAVSLGERATINCKSSQSVLLSPWNSNQLAWYQQKPGQPPKLLIYGASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQYYLIPSTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) Q (Heavy), P (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 -3.6374
Maximum Score 1.3284
Average Score -0.6972
Total Score -305.3878

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

Index Residue Chain A4D Score Classification
1 E Q -2.2011 Soluble
2 V Q -1.2602 Soluble
3 Q Q -1.5195 Soluble
4 L Q 0.0000 Buried
5 V Q 0.5256 Aggregation-prone
6 Q Q 0.0000 Buried
7 S Q -0.4192 Soluble
8 G Q -0.3213 Soluble
9 A Q 0.0241 Aggregation-prone
11 E Q -0.1806 Soluble
12 V Q 0.3352 Aggregation-prone
13 K Q -0.9254 Soluble
14 K Q -1.6876 Soluble
15 P Q -1.8925 Soluble
16 G Q -1.7606 Soluble
17 E Q -1.7724 Soluble
18 S Q -1.6065 Soluble
19 L Q 0.0000 Buried
20 K Q -1.9684 Soluble
21 I Q 0.0000 Buried
22 S Q -0.5205 Soluble
23 C Q 0.0000 Buried
24 K Q -0.6615 Soluble
25 G Q 0.0000 Buried
26 S Q -1.1111 Soluble
27 G Q -1.4034 Soluble
28 Y Q -0.6784 Soluble
29 S Q -0.2440 Soluble
30 F Q 0.0000 Buried
35 T Q -0.9568 Soluble
36 S Q -0.2056 Soluble
37 Y Q 0.0666 Aggregation-prone
38 W Q 0.0033 Aggregation-prone
39 I Q 0.0000 Buried
40 G Q 0.0000 Buried
41 W Q 0.0000 Buried
42 V Q 0.0000 Buried
43 R Q -0.7998 Soluble
44 Q Q -0.8962 Soluble
45 M Q -0.8230 Soluble
46 P Q -0.9060 Soluble
47 G Q -1.4060 Soluble
48 K Q -2.2865 Soluble
49 G Q -1.5126 Soluble
50 L Q 0.0000 Buried
51 E Q -1.2315 Soluble
52 W Q 0.0000 Buried
53 M Q 0.0000 Buried
54 G Q 0.0000 Buried
55 I Q 0.0000 Buried
56 I Q 0.0000 Buried
57 D Q -1.2144 Soluble
58 P Q 0.0000 Buried
59 S Q -1.6504 Soluble
62 D Q -2.4942 Soluble
63 S Q -1.8763 Soluble
64 D Q -1.4782 Soluble
65 T Q -0.9802 Soluble
66 R Q -1.0525 Soluble
67 Y Q -0.8426 Soluble
68 S Q 0.0000 Buried
69 P Q -1.1773 Soluble
70 S Q -0.9608 Soluble
71 F Q 0.0000 Buried
72 Q Q -2.0011 Soluble
74 G Q -1.6514 Soluble
75 Q Q -1.9149 Soluble
76 V Q 0.0000 Buried
77 T Q -0.9231 Soluble
78 I Q 0.0000 Buried
79 S Q -0.5776 Soluble
80 A Q -1.1892 Soluble
81 D Q -1.6601 Soluble
82 K Q -2.0754 Soluble
83 S Q -0.6059 Soluble
84 I Q 0.3445 Aggregation-prone
85 S Q -0.6587 Soluble
86 T Q 0.0000 Buried
87 A Q 0.0000 Buried
88 Y Q -0.6627 Soluble
89 L Q 0.0000 Buried
90 Q Q -1.3602 Soluble
91 W Q 0.0000 Buried
92 S Q -1.1145 Soluble
93 S Q -1.5271 Soluble
94 L Q 0.0000 Buried
95 K Q -2.3613 Soluble
96 A Q -1.2826 Soluble
97 S Q -0.8525 Soluble
98 D Q -0.8525 Soluble
99 T Q -0.3242 Soluble
100 A Q 0.0000 Buried
101 M Q 0.2032 Aggregation-prone
102 Y Q 0.0000 Buried
103 Y Q 0.0000 Buried
104 C Q 0.0000 Buried
105 A Q 0.0000 Buried
106 R Q 0.0000 Buried
107 V Q 0.0000 Buried
108 G Q 0.0000 Buried
109 P Q -0.4057 Soluble
110 A Q -0.5300 Soluble
111 D Q -0.5284 Soluble
112A V Q 1.0249 Aggregation-prone
112 W Q 0.5378 Aggregation-prone
113 D Q -0.0431 Soluble
114 S Q 0.0000 Buried
115 F Q 0.0000 Buried
116 D Q -0.2888 Soluble
117 Y Q -0.0980 Soluble
118 W Q -0.1635 Soluble
119 G Q 0.0000 Buried
120 Q Q -1.0004 Soluble
121 G Q -0.4307 Soluble
122 T Q 0.0000 Buried
123 L Q 0.4866 Aggregation-prone
124 V Q 0.0000 Buried
125 T Q -0.1807 Soluble
126 V Q 0.0000 Buried
127 S Q -0.7832 Soluble
128 S Q -0.8332 Soluble
129 A Q -0.5360 Soluble
130 S Q -0.6546 Soluble
131 T Q -0.8596 Soluble
132 K Q -1.6854 Soluble
133 G Q -1.6052 Soluble
134 P Q 0.0000 Buried
135 S Q -0.4608 Soluble
136 V Q 0.0000 Buried
137 F Q 0.0000 Buried
138 P Q -1.0773 Soluble
139 L Q 0.0000 Buried
140 A Q -0.8481 Soluble
141 P Q 0.0000 Buried
142 S Q -1.0991 Soluble
143 S Q -1.2527 Soluble
144 K Q -2.0017 Soluble
145 S Q -1.3501 Soluble
146 T Q -0.9591 Soluble
147 S Q -0.8034 Soluble
148 G Q -0.8570 Soluble
149 G Q -0.8894 Soluble
150 T Q -0.6131 Soluble
151 A Q 0.0000 Buried
152 A Q 0.0000 Buried
153 L Q 0.0000 Buried
154 G Q 0.0000 Buried
155 C Q 0.0000 Buried
156 L Q 0.0000 Buried
157 V Q 0.0000 Buried
158 K Q 0.0000 Buried
159 D Q -0.5652 Soluble
160 Y Q 0.0000 Buried
161 F Q 0.0000 Buried
162 P Q 0.0000 Buried
163 E Q -1.1592 Soluble
164 P Q -1.2074 Soluble
165 V Q -0.8619 Soluble
166 T Q -0.6097 Soluble
167 V Q -0.1531 Soluble
168 S Q -0.3667 Soluble
169 W Q 0.0000 Buried
170 N Q -0.7049 Soluble
171 S Q -0.6459 Soluble
172 G Q -0.5027 Soluble
173 A Q -0.2085 Soluble
174 L Q 0.0554 Aggregation-prone
175 T Q -0.1556 Soluble
176 S Q -0.1809 Soluble
177 G Q -0.1730 Soluble
178 V Q 0.1563 Aggregation-prone
179 H Q -0.1689 Soluble
180 T Q -0.0243 Soluble
181 F Q 0.0000 Buried
182 P Q -0.4128 Soluble
183 A Q 0.0250 Aggregation-prone
184 V Q 0.5112 Aggregation-prone
185 L Q 1.3284 Aggregation-prone
186 Q Q 0.3718 Aggregation-prone
187 S Q -0.0335 Soluble
188 S Q -0.1579 Soluble
189 G Q 0.0713 Aggregation-prone
190 L Q -0.0567 Soluble
191 Y Q 0.0000 Buried
192 S Q 0.0000 Buried
193 L Q 0.0000 Buried
194 S Q 0.0000 Buried
195 S Q 0.0000 Buried
196 V Q 0.0000 Buried
197 V Q 0.0000 Buried
198 T Q -0.1353 Soluble
199 V Q 0.0000 Buried
200 P Q -0.6110 Soluble
201 S Q -0.6098 Soluble
202 S Q -0.6037 Soluble
203 S Q -0.6044 Soluble
204 L Q -0.8299 Soluble
205 G Q -0.9588 Soluble
206 T Q -0.6947 Soluble
207 Q Q -1.1784 Soluble
208 T Q -1.0273 Soluble
209 Y Q 0.0000 Buried
210 I Q -1.2613 Soluble
211 C Q 0.0000 Buried
212 N Q -1.4632 Soluble
213 V Q 0.0000 Buried
214 N Q -1.7737 Soluble
215 H Q 0.0000 Buried
216 K Q -2.8308 Soluble
217 P Q -1.8800 Soluble
218 S Q -1.9822 Soluble
219 N Q -2.6482 Soluble
220 T Q -2.1282 Soluble
221 K Q -2.6104 Soluble
222 V Q -1.4687 Soluble
223 D Q -2.5474 Soluble
224 K Q -2.0675 Soluble
225 K Q -2.4274 Soluble
226 V Q 0.0000 Buried
227 E Q -2.4381 Soluble
228 P Q -1.2464 Soluble
1 D P -1.4424 Soluble
2 I P 0.0000 Buried
3 V P 0.8016 Aggregation-prone
4 M P 0.0000 Buried
5 T P -0.7714 Soluble
6 Q P 0.0000 Buried
7 S P -1.4204 Soluble
8 P P -1.4704 Soluble
9 D P -2.4844 Soluble
10 S P -1.5444 Soluble
11 L P -0.8424 Soluble
12 A P -0.5650 Soluble
13 V P 0.0000 Buried
14 S P -1.1904 Soluble
15 L P -0.2528 Soluble
16 G P -1.2441 Soluble
17 E P -2.8256 Soluble
18 R P -2.8485 Soluble
19 A P 0.0000 Buried
20 T P -0.6989 Soluble
21 I P 0.0000 Buried
22 N P -1.7369 Soluble
23 C P 0.0000 Buried
24 K P -1.9041 Soluble
25 S P 0.0000 Buried
26 S P -0.8800 Soluble
27 Q P -1.4976 Soluble
28 S P -0.9898 Soluble
29 V P 0.0000 Buried
30 L P 0.0287 Aggregation-prone
31 L P 0.0000 Buried
32 S P -0.3737 Soluble
33 P P -0.1791 Soluble
34 W P 0.2207 Aggregation-prone
35 N P -0.8848 Soluble
36 S P -0.5580 Soluble
37 N P -0.2123 Soluble
38 Q P 0.0000 Buried
39 L P 0.0000 Buried
40 A P 0.0000 Buried
41 W P 0.0000 Buried
42 Y P 0.0000 Buried
43 Q P 0.0000 Buried
44 Q P 0.0000 Buried
45 K P -1.5965 Soluble
46 P P -1.2822 Soluble
47 G P -1.3957 Soluble
48 Q P -1.9772 Soluble
49 P P -1.3248 Soluble
50 P P 0.0000 Buried
51 K P -1.3989 Soluble
52 L P 0.0000 Buried
53 L P 0.0000 Buried
54 I P 0.0000 Buried
55 Y P -0.1565 Soluble
56 G P -0.4259 Soluble
57 A P 0.0000 Buried
65 S P -0.6301 Soluble
66 T P -0.6097 Soluble
67 R P -1.3501 Soluble
68 E P -1.0723 Soluble
69 S P -0.7730 Soluble
70 G P -0.9480 Soluble
71 V P -1.0599 Soluble
72 P P -1.2891 Soluble
74 D P -2.1538 Soluble
75 R P -1.5233 Soluble
76 F P 0.0000 Buried
77 S P -0.8574 Soluble
78 G P -0.5456 Soluble
79 S P -0.8503 Soluble
80 G P -1.2347 Soluble
83 S P -0.9664 Soluble
84 G P -0.9681 Soluble
85 T P -1.5733 Soluble
86 D P -2.4230 Soluble
87 F P 0.0000 Buried
88 T P -1.0723 Soluble
89 L P 0.0000 Buried
90 T P -0.7159 Soluble
91 I P 0.0000 Buried
92 S P -1.8382 Soluble
93 S P -1.6608 Soluble
94 L P 0.0000 Buried
95 Q P -1.1328 Soluble
96 A P -0.9093 Soluble
97 E P -1.8831 Soluble
98 D P 0.0000 Buried
99 V P -0.6202 Soluble
100 A P 0.0000 Buried
101 V P -0.7972 Soluble
102 Y P 0.0000 Buried
103 Y P 0.0000 Buried
104 C P 0.0000 Buried
105 Q P 0.0000 Buried
106 Q P 0.0000 Buried
107 Y P 0.0000 Buried
108 Y P 0.8508 Aggregation-prone
109 L P 0.8562 Aggregation-prone
114 I P 0.4367 Aggregation-prone
115 P P -0.0492 Soluble
116 S P 0.0000 Buried
117 T P 0.0226 Aggregation-prone
118 F P 0.0000 Buried
119 G P 0.0000 Buried
120 Q P -1.4852 Soluble
121 G P 0.0000 Buried
122 T P 0.0000 Buried
123 K P -1.8056 Soluble
124 V P 0.0000 Buried
125 E P -0.7378 Soluble
126 I P -0.7403 Soluble
127 K P -1.3940 Soluble
128 R P -0.7871 Soluble
129 T P -0.0449 Soluble
130 V P 0.4212 Aggregation-prone
131 A P 0.1731 Aggregation-prone
132 A P -0.1105 Soluble
133 P P 0.0000 Buried
134 S P -0.1748 Soluble
135 V P 0.0000 Buried
136 F P 0.0686 Aggregation-prone
137 I P 0.0429 Aggregation-prone
138 F P 0.0000 Buried
139 P P -0.8091 Soluble
140 P P -0.9463 Soluble
141 S P -1.5568 Soluble
142 D P -2.8312 Soluble
143 E P -2.6990 Soluble
144 Q P 0.0000 Buried
145 L P -1.9863 Soluble
146 K P -2.7648 Soluble
147 S P -1.7005 Soluble
148 G P -1.2091 Soluble
149 T P -0.9327 Soluble
150 A P 0.0000 Buried
151 S P 0.0000 Buried
152 V P 0.0000 Buried
153 V P 0.0000 Buried
154 C P 0.0000 Buried
155 L P 0.0000 Buried
156 L P 0.0000 Buried
157 N P 0.0000 Buried
158 N P -0.9771 Soluble
159 F P 0.0000 Buried
160 Y P 0.0000 Buried
161 P P -1.6940 Soluble
162 R P -3.0128 Soluble
163 E P -3.2098 Soluble
164 A P -2.3497 Soluble
165 K P -2.4237 Soluble
166 V P -1.0894 Soluble
167 Q P -0.5111 Soluble
168 W P 0.0000 Buried
169 K P -0.5158 Soluble
170 V P 0.0000 Buried
171 D P -1.9267 Soluble
172 N P -1.4706 Soluble
173 A P -0.2184 Soluble
174 L P 0.7791 Aggregation-prone
175 Q P -0.1516 Soluble
176 S P -0.3790 Soluble
177 G P -0.8772 Soluble
178 N P -0.8288 Soluble
179 S P -1.0203 Soluble
180 Q P -1.1205 Soluble
181 E P -1.8614 Soluble
182 S P -0.8258 Soluble
183 V P -0.8909 Soluble
184 T P -1.2420 Soluble
185 E P -2.3055 Soluble
186 Q P -1.9462 Soluble
187 D P -2.0289 Soluble
188 S P -1.8930 Soluble
189 K P -2.2415 Soluble
190 D P -1.6925 Soluble
191 S P -1.7503 Soluble
192 T P 0.0000 Buried
193 Y P 0.0000 Buried
194 S P 0.0000 Buried
195 L P 0.0000 Buried
196 S P 0.0000 Buried
197 S P 0.0000 Buried
198 T P -0.5742 Soluble
199 L P 0.0000 Buried
200 T P -0.3651 Soluble
201 L P -0.5618 Soluble
202 S P -0.9322 Soluble
203 K P -1.9332 Soluble
204 A P -1.7273 Soluble
205 D P -2.2495 Soluble
206 Y P 0.0000 Buried
207 E P -3.6087 Soluble
208 K P -3.6374 Soluble
209 H P -3.2902 Soluble
210 K P -3.6267 Soluble
211 V P -1.9554 Soluble
212 Y P 0.0000 Buried
213 A P 0.0000 Buried
214 C P 0.0000 Buried
215 E P -0.6819 Soluble
216 V P 0.0000 Buried
217 T P -1.2035 Soluble
218 H P 0.0000 Buried
219 Q P -1.7103 Soluble
220 G P -0.3969 Soluble
221 L P -0.2077 Soluble
222 S P -0.4316 Soluble
223 S P -0.4014 Soluble
224 P P -0.6053 Soluble
225 V P 0.0733 Aggregation-prone
226 T P -0.4559 Soluble
227 K P -0.7729 Soluble
228 S P -0.8908 Soluble
229 F P -1.2321 Soluble
230 N P -2.6046 Soluble
231 R P -3.4312 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 -0.6969 3.345 CSV PDB
4.5 -0.7449 3.2994 CSV PDB
5.0 -0.801 3.2411 CSV PDB
5.5 -0.8548 3.1769 CSV PDB
6.0 -0.8939 3.1106 CSV PDB
6.5 -0.9081 3.0437 CSV PDB
7.0 -0.8972 2.9767 CSV PDB
7.5 -0.869 2.91 CSV PDB
8.0 -0.8306 2.8447 CSV PDB
8.5 -0.7838 2.7834 CSV PDB
9.0 -0.7286 2.7317 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH