Denrakibart / 5wk2

A4DAB084_5wk2_H_L | Source PDB: 5wk2 | Chains: H, L | Done
96.15
Yes
10 Å
Yes
Avg A4D Score
-0.6729
Max Score
0.9775
Min Score
-3.6073
Total Score
-293.41
Score CDR
-0.3112
Score non-CDR
-0.7241

Calculation Parameters

Chain Sequence(s) EVQLVQSGAEVKKPGESLKISCKGSGYSFTSYWIGWVRQMPGKGLEWMGIIDPSDSDTRYSPSFQGQVTISADKSISTAYLQWSSLKASDTAMYYCARVGPADVWDSFDYWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDIVMTQSPDSLAVSLGERATINCKSSQSVLLSPWNSNQLAWYQQKPGQPPKLLIYGASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQYYLIPSTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) H (Heavy), L (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 -3.6073
Maximum Score 0.9775
Average Score -0.6729
Total Score -293.4052

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

Index Residue Chain A4D Score Classification
1 E H -2.1662 Soluble
2 V H -1.2377 Soluble
3 Q H -1.5045 Soluble
4 L H 0.0000 Buried
5 V H 0.2580 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.3982 Soluble
8 G H -0.2552 Soluble
9 A H 0.2403 Aggregation-prone
11 E H -0.0629 Soluble
12 V H 0.4646 Aggregation-prone
13 K H -0.9910 Soluble
14 K H -1.8822 Soluble
15 P H -1.9440 Soluble
16 G H -1.8518 Soluble
17 E H -1.9624 Soluble
18 S H -1.6671 Soluble
19 L H 0.0000 Buried
20 K H -1.9040 Soluble
21 I H 0.0000 Buried
22 S H -0.4853 Soluble
23 C H 0.0000 Buried
24 K H -0.6426 Soluble
25 G H 0.0000 Buried
26 S H -0.7554 Soluble
27 G H -1.2786 Soluble
28 Y H -0.5671 Soluble
29 S H -0.3817 Soluble
30 F H 0.0000 Buried
35 T H -0.9610 Soluble
36 S H -0.1836 Soluble
37 Y H 0.1047 Aggregation-prone
38 W H 0.0165 Aggregation-prone
39 I H 0.0000 Buried
40 G H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H -0.6134 Soluble
44 Q H -0.7967 Soluble
45 M H -0.7122 Soluble
46 P H -0.8583 Soluble
47 G H -1.4089 Soluble
48 K H -2.2655 Soluble
49 G H -1.4557 Soluble
50 L H 0.0000 Buried
51 E H -1.0571 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 I H 0.0000 Buried
56 I H 0.0000 Buried
57 D H -1.2210 Soluble
58 P H 0.0000 Buried
59 S H -1.7084 Soluble
62 D H -2.5186 Soluble
63 S H -1.8826 Soluble
64 D H -1.4821 Soluble
65 T H -0.8947 Soluble
66 R H -0.7689 Soluble
67 Y H -0.5156 Soluble
68 S H 0.0000 Buried
69 P H -0.9099 Soluble
70 S H -0.8610 Soluble
71 F H 0.0000 Buried
72 Q H -1.7848 Soluble
74 G H -1.4028 Soluble
75 Q H -1.4149 Soluble
76 V H 0.0000 Buried
77 T H -0.7695 Soluble
78 I H 0.0000 Buried
79 S H -0.7372 Soluble
80 A H -1.1700 Soluble
81 D H -1.5687 Soluble
82 K H -2.1029 Soluble
83 S H -0.4638 Soluble
84 I H 0.7119 Aggregation-prone
85 S H -0.4123 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.5632 Soluble
89 L H 0.0000 Buried
90 Q H -1.2045 Soluble
91 W H 0.0000 Buried
92 S H -1.0539 Soluble
93 S H -1.4878 Soluble
94 L H 0.0000 Buried
95 K H -2.2194 Soluble
96 A H -1.1664 Soluble
97 S H -0.6742 Soluble
98 D H 0.0000 Buried
99 T H -0.1156 Soluble
100 A H 0.0000 Buried
101 M H 0.3647 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H 0.0000 Buried
107 V H 0.0000 Buried
108 G H 0.0000 Buried
109 P H -0.5510 Soluble
110 A H -0.6818 Soluble
111 D H -1.3871 Soluble
112A V H 0.2178 Aggregation-prone
112 W H 0.3371 Aggregation-prone
113 D H -0.1518 Soluble
114 S H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.3148 Soluble
117 Y H -0.1768 Soluble
118 W H -0.2931 Soluble
119 G H 0.0000 Buried
120 Q H -1.1218 Soluble
121 G H -0.4422 Soluble
122 T H 0.0000 Buried
123 L H 0.9081 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.0059 Soluble
126 V H 0.0000 Buried
127 S H -0.7798 Soluble
128 S H -0.8362 Soluble
129 A H -0.4977 Soluble
130 S H -0.5701 Soluble
131 T H -0.6219 Soluble
132 K H -1.2136 Soluble
133 G H -1.3392 Soluble
134 P H 0.0000 Buried
135 S H -0.3810 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.3236 Soluble
139 L H 0.0000 Buried
140 A H -1.2623 Soluble
141 P H 0.0000 Buried
142 S H -0.6590 Soluble
143 G H -0.6720 Soluble
144 T H -0.4958 Soluble
145 A H -0.2526 Soluble
146 A H 0.0000 Buried
147 L H 0.0000 Buried
148 G H 0.0000 Buried
149 C H 0.0000 Buried
150 L H 0.0000 Buried
151 V H 0.0000 Buried
152 K H 0.0000 Buried
153 D H -0.4392 Soluble
154 Y H 0.0000 Buried
155 F H 0.0000 Buried
156 P H -0.7372 Soluble
157 E H -1.1258 Soluble
158 P H -1.1728 Soluble
159 V H -0.8928 Soluble
160 T H -0.5940 Soluble
161 V H -0.2999 Soluble
162 S H -0.3760 Soluble
163 W H 0.0000 Buried
164 N H -0.7739 Soluble
165 S H -0.6706 Soluble
166 G H -0.5769 Soluble
167 A H -0.2524 Soluble
168 L H -0.0461 Soluble
169 T H -0.2001 Soluble
170 S H -0.4189 Soluble
171 G H -0.4987 Soluble
172 V H 0.1227 Aggregation-prone
173 H H 0.0000 Buried
174 T H 0.0958 Aggregation-prone
175 F H 0.0000 Buried
176 P H -0.3588 Soluble
177 A H -0.0941 Soluble
178 V H 0.2321 Aggregation-prone
179 L H 0.8995 Aggregation-prone
180 Q H 0.1812 Aggregation-prone
181 S H -0.0910 Soluble
182 S H -0.2382 Soluble
183 G H -0.0252 Soluble
184 L H -0.0956 Soluble
185 Y H 0.0000 Buried
186 S H 0.0000 Buried
187 L H 0.0000 Buried
188 S H 0.0000 Buried
189 S H 0.0000 Buried
190 V H 0.0000 Buried
191 V H 0.0000 Buried
192 T H -0.1488 Soluble
193 V H 0.0000 Buried
194 P H -0.6055 Soluble
195 S H -0.5860 Soluble
196 S H -0.6326 Soluble
197 S H -0.6325 Soluble
198 L H -0.8183 Soluble
199 G H -0.9596 Soluble
200 T H -0.6604 Soluble
201 Q H -1.1272 Soluble
202 T H -1.0814 Soluble
203 Y H 0.0000 Buried
204 I H -1.3518 Soluble
205 C H 0.0000 Buried
206 N H -1.4628 Soluble
207 V H 0.0000 Buried
208 N H -1.8436 Soluble
209 H H 0.0000 Buried
210 K H -2.8205 Soluble
211 P H -1.7909 Soluble
212 S H -1.8363 Soluble
213 N H -2.5866 Soluble
214 T H -2.0368 Soluble
215 K H -2.6278 Soluble
216 V H -1.6013 Soluble
217 D H -2.5673 Soluble
218 K H -2.2965 Soluble
219 K H -2.5949 Soluble
220 V H 0.0000 Buried
221 E H -2.9363 Soluble
222 P H -2.0144 Soluble
223 K H -2.4133 Soluble
224 S H -1.3163 Soluble
1 D L -1.4067 Soluble
2 I L 0.0000 Buried
3 V L 0.8097 Aggregation-prone
4 M L 0.0000 Buried
5 T L -0.6719 Soluble
6 Q L 0.0000 Buried
7 S L -1.2682 Soluble
8 P L -1.2521 Soluble
9 D L -2.3066 Soluble
10 S L -1.3240 Soluble
11 L L -0.6925 Soluble
12 A L -0.5384 Soluble
13 V L 0.0000 Buried
14 S L -1.3403 Soluble
15 L L -0.4216 Soluble
16 G L -1.3406 Soluble
17 E L -2.8889 Soluble
18 R L -2.8286 Soluble
19 A L 0.0000 Buried
20 T L -0.5778 Soluble
21 I L 0.0000 Buried
22 N L -1.1076 Soluble
23 C L 0.0000 Buried
24 K L -1.9045 Soluble
25 S L 0.0000 Buried
26 S L -0.9329 Soluble
27 Q L -1.5098 Soluble
28 S L -0.8788 Soluble
29 V L 0.0000 Buried
30 L L 0.1683 Aggregation-prone
31 L L 0.3885 Aggregation-prone
32 S L -0.2084 Soluble
33 P L -0.1268 Soluble
34 W L 0.4684 Aggregation-prone
35 N L -0.7451 Soluble
36 S L -0.2030 Soluble
37 N L -0.0826 Soluble
38 Q L 0.0000 Buried
39 L L 0.0000 Buried
40 A L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L -0.9576 Soluble
44 Q L 0.0000 Buried
45 K L -1.7756 Soluble
46 P L -1.3276 Soluble
47 G L -1.4565 Soluble
48 Q L -2.1429 Soluble
49 P L -1.5029 Soluble
50 P L 0.0000 Buried
51 K L -1.8310 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.1401 Soluble
56 G L -0.3621 Soluble
57 A L 0.0000 Buried
65 S L -0.6415 Soluble
66 T L -0.6288 Soluble
67 R L -1.3959 Soluble
68 E L -1.0709 Soluble
69 S L -0.7553 Soluble
70 G L -0.9307 Soluble
71 V L -0.9345 Soluble
72 P L -1.2994 Soluble
74 D L -2.1659 Soluble
75 R L -1.4977 Soluble
76 F L 0.0000 Buried
77 S L -0.8688 Soluble
78 G L -0.5350 Soluble
79 S L -0.7372 Soluble
80 G L -1.1283 Soluble
83 S L -1.0627 Soluble
84 G L -1.0148 Soluble
85 T L -1.5289 Soluble
86 D L -2.1027 Soluble
87 F L 0.0000 Buried
88 T L -0.8036 Soluble
89 L L 0.0000 Buried
90 T L -0.6169 Soluble
91 I L 0.0000 Buried
92 S L -1.7550 Soluble
93 S L -1.7690 Soluble
94 L L 0.0000 Buried
95 Q L -1.1957 Soluble
96 A L -0.7212 Soluble
97 E L -1.8920 Soluble
98 D L 0.0000 Buried
99 V L -0.4020 Soluble
100 A L 0.0000 Buried
101 V L -0.7429 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 Y L 0.0000 Buried
108 Y L 0.9775 Aggregation-prone
109 L L 0.8136 Aggregation-prone
114 I L 0.5366 Aggregation-prone
115 P L 0.0689 Aggregation-prone
116 S L 0.0000 Buried
117 T L 0.1978 Aggregation-prone
118 F L 0.1092 Aggregation-prone
119 G L 0.0000 Buried
120 Q L -1.3897 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.5453 Soluble
124 V L 0.0000 Buried
125 E L 0.0000 Buried
126 I L -0.4657 Soluble
127 K L -1.6141 Soluble
128 R L -1.0069 Soluble
129 T L -0.0829 Soluble
130 V L 0.6467 Aggregation-prone
131 A L 0.2726 Aggregation-prone
132 A L -0.0466 Soluble
133 P L 0.0000 Buried
134 S L -0.1397 Soluble
135 V L 0.0000 Buried
136 F L 0.1238 Aggregation-prone
137 I L 0.0994 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.4367 Soluble
140 P L 0.0000 Buried
141 S L -1.8046 Soluble
142 D L -2.9031 Soluble
143 E L -2.8832 Soluble
144 Q L 0.0000 Buried
145 L L -2.3024 Soluble
146 K L -2.8212 Soluble
147 S L -1.7377 Soluble
148 G L -1.3872 Soluble
149 T L -1.0560 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -0.6873 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.2371 Soluble
162 R L -2.0489 Soluble
163 E L -2.7692 Soluble
164 A L -2.1461 Soluble
165 K L -2.3536 Soluble
166 V L 0.0000 Buried
167 Q L -0.7768 Soluble
168 W L 0.0000 Buried
169 K L -0.5232 Soluble
170 V L 0.0000 Buried
171 D L -1.7358 Soluble
172 N L -1.3047 Soluble
173 A L -0.2246 Soluble
174 L L 0.7407 Aggregation-prone
175 Q L -0.1344 Soluble
176 S L -0.4137 Soluble
177 G L -0.9685 Soluble
178 N L -0.9513 Soluble
179 S L -1.2440 Soluble
180 Q L -1.4807 Soluble
181 E L -1.9815 Soluble
182 S L -0.9681 Soluble
183 V L -0.5098 Soluble
184 T L -0.9512 Soluble
185 E L -2.0728 Soluble
186 Q L -1.6387 Soluble
187 D L -1.8107 Soluble
188 S L -1.6727 Soluble
189 K L -2.2714 Soluble
190 D L -1.6752 Soluble
191 S L -1.6682 Soluble
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.6932 Soluble
199 L L 0.0000 Buried
200 T L -0.4897 Soluble
201 L L -0.7444 Soluble
202 S L -1.1562 Soluble
203 K L -2.1715 Soluble
204 A L -1.9918 Soluble
205 D L -2.8406 Soluble
206 Y L 0.0000 Buried
207 E L -3.4372 Soluble
208 K L -3.6073 Soluble
209 H L -2.7738 Soluble
210 K L -2.4196 Soluble
211 V L -0.8117 Soluble
212 Y L 0.0000 Buried
213 A L -0.6546 Soluble
214 C L 0.0000 Buried
215 E L -1.0749 Soluble
216 V L 0.0000 Buried
217 T L -1.3502 Soluble
218 H L 0.0000 Buried
219 Q L -1.4497 Soluble
220 G L -0.3593 Soluble
221 L L -0.2066 Soluble
222 S L -0.4563 Soluble
223 S L -0.4642 Soluble
224 P L -0.7020 Soluble
225 V L -0.1585 Soluble
226 T L -0.5681 Soluble
227 K L -0.6892 Soluble
228 S L -0.4104 Soluble
229 F L -0.6473 Soluble
230 N L -1.4713 Soluble
231 R L -2.0947 Soluble
232 G L -1.9316 Soluble
233 E L -2.3775 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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Downloads
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 -0.6179 3.5396 CSV PDB
4.5 -0.6671 3.5396 CSV PDB
5.0 -0.7251 3.5396 CSV PDB
5.5 -0.7812 3.5396 CSV PDB
6.0 -0.8229 3.5396 CSV PDB
6.5 -0.8394 3.5396 CSV PDB
7.0 -0.8293 3.5396 CSV PDB
7.5 -0.801 3.5396 CSV PDB
8.0 -0.7625 3.5396 CSV PDB
8.5 -0.7161 3.5396 CSV PDB
9.0 -0.6615 3.5396 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH