Talacotuzumab / 4jzj

A4DAB252_4jzj_A_B | Source PDB: 4jzj | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6999
Max Score
2.1193
Min Score
-3.8326
Total Score
-303.07
Score CDR
-0.258
Score non-CDR
-0.7616

Calculation Parameters

Chain Sequence(s) EVQLVQSGAEVKKPGESLKISCKGSGYSFTDYYMKWARQMPGKGLEWMGDIIPSNGATFYNQKFKGQVTISADKSISTTYLQWSSLKASDTAMYYCARSHLLRASWFAYWGQGTMVTVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIVMTQSPDSLAVSLGERATINCESSQSLLNSGNQKNYLTWYQQKPGQPPKPLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQNDYSYPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) A (Heavy), B (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 -3.8326
Maximum Score 2.1193
Average Score -0.6999
Total Score -303.0697

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

Index Residue Chain A4D Score Classification
1 E A -2.1646 Soluble
2 V A -1.2728 Soluble
3 Q A -1.4470 Soluble
4 L A 0.0000 Buried
5 V A 0.4601 Aggregation-prone
6 Q A 0.0000 Buried
7 S A -0.4767 Soluble
8 G A -0.4513 Soluble
9 A A -0.0387 Soluble
11 E A -0.3512 Soluble
12 V A 0.1255 Aggregation-prone
13 K A -1.1361 Soluble
14 K A -2.1674 Soluble
15 P A -1.8896 Soluble
16 G A -1.7871 Soluble
17 E A -1.7309 Soluble
18 S A -1.5228 Soluble
19 L A 0.0000 Buried
20 K A -1.9453 Soluble
21 I A 0.0000 Buried
22 S A -0.6094 Soluble
23 C A 0.0000 Buried
24 K A -0.6401 Soluble
25 G A 0.0000 Buried
26 S A -0.7447 Soluble
27 G A -1.2823 Soluble
28 Y A -0.8218 Soluble
29 S A -0.9333 Soluble
30 F A 0.0000 Buried
35 T A -1.4047 Soluble
36 D A -1.4188 Soluble
37 Y A -0.0381 Soluble
38 Y A 0.2805 Aggregation-prone
39 M A 0.0000 Buried
40 K A 0.0000 Buried
41 W A 0.0000 Buried
42 A A 0.0000 Buried
43 R A -0.4602 Soluble
44 Q A -0.6707 Soluble
45 M A -0.8522 Soluble
46 P A -0.9538 Soluble
47 G A -1.5478 Soluble
48 K A -2.2869 Soluble
49 G A -1.4959 Soluble
50 L A 0.0000 Buried
51 E A -0.6944 Soluble
52 W A 0.0000 Buried
53 M A 0.0000 Buried
54 G A 0.0000 Buried
55 D A 0.0000 Buried
56 I A 0.0000 Buried
57 I A -0.2930 Soluble
58 P A 0.0000 Buried
59 S A -1.4599 Soluble
62 N A -1.6783 Soluble
63 G A -1.0416 Soluble
64 A A -0.1586 Soluble
65 T A 0.4933 Aggregation-prone
66 F A 0.9979 Aggregation-prone
67 Y A -0.2139 Soluble
68 N A 0.0000 Buried
69 Q A -2.3528 Soluble
70 K A -2.8835 Soluble
71 F A 0.0000 Buried
72 K A -2.5698 Soluble
74 G A -2.0332 Soluble
75 Q A -2.2239 Soluble
76 V A 0.0000 Buried
77 T A -0.9212 Soluble
78 I A 0.0000 Buried
79 S A -0.6561 Soluble
80 A A -0.8069 Soluble
81 D A -1.3488 Soluble
82 K A -1.7664 Soluble
83 S A -0.2916 Soluble
84 I A 0.9310 Aggregation-prone
85 S A -0.3664 Soluble
86 T A 0.0000 Buried
87 T A 0.0000 Buried
88 Y A -0.7270 Soluble
89 L A 0.0000 Buried
90 Q A -1.2767 Soluble
91 W A 0.0000 Buried
92 S A -1.0271 Soluble
93 S A -1.4566 Soluble
94 L A 0.0000 Buried
95 K A -2.2732 Soluble
96 A A -1.2060 Soluble
97 S A -0.7199 Soluble
98 D A 0.0000 Buried
99 T A -0.2212 Soluble
100 A A 0.0000 Buried
101 M A 0.2211 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 A A 0.0000 Buried
106 R A 0.0000 Buried
107 S A 0.0000 Buried
108 H A 1.0402 Aggregation-prone
109 L A 1.9521 Aggregation-prone
110 L A 2.1193 Aggregation-prone
111 R A 0.9103 Aggregation-prone
112 A A 0.5573 Aggregation-prone
113 S A 0.0000 Buried
114 W A 0.0000 Buried
115 F A 0.0000 Buried
116 A A 0.0000 Buried
117 Y A 0.1908 Aggregation-prone
118 W A -0.1500 Soluble
119 G A 0.0000 Buried
120 Q A -0.9343 Soluble
121 G A -0.4286 Soluble
122 T A 0.0000 Buried
123 M A 0.3017 Aggregation-prone
124 V A 0.0000 Buried
125 T A -0.2767 Soluble
126 V A 0.0000 Buried
127 S A -0.8087 Soluble
128 S A -0.7791 Soluble
129 A A -0.6512 Soluble
130 S A -0.8320 Soluble
131 T A -1.1334 Soluble
132 K A -1.9313 Soluble
133 G A -1.8030 Soluble
134 P A 0.0000 Buried
135 S A -0.5220 Soluble
136 V A 0.0000 Buried
137 F A -0.5884 Soluble
138 P A -0.9985 Soluble
139 L A 0.0000 Buried
140 A A -1.1264 Soluble
141 P A -0.8316 Soluble
142 G A -0.6495 Soluble
143 T A -0.4782 Soluble
144 A A -0.2837 Soluble
145 A A 0.0000 Buried
146 L A 0.0000 Buried
147 G A 0.0000 Buried
148 C A 0.0000 Buried
149 L A 0.0000 Buried
150 V A 0.0000 Buried
151 K A -0.5756 Soluble
152 D A -1.0211 Soluble
153 Y A 0.0000 Buried
154 F A 0.0000 Buried
155 P A 0.0000 Buried
156 E A -1.5589 Soluble
157 P A -1.4664 Soluble
158 V A -1.0112 Soluble
159 T A -0.7259 Soluble
160 V A -0.3642 Soluble
161 S A -0.3799 Soluble
162 W A 0.0000 Buried
163 N A -0.6955 Soluble
164 S A -0.6298 Soluble
165 G A -0.5378 Soluble
166 A A -0.2235 Soluble
167 L A -0.0091 Soluble
168 T A -0.1880 Soluble
169 S A -0.2039 Soluble
170 G A -0.2507 Soluble
171 V A 0.1145 Aggregation-prone
172 H A -0.3541 Soluble
173 T A 0.0355 Aggregation-prone
174 F A 0.0000 Buried
175 P A -0.2371 Soluble
176 A A 0.0990 Aggregation-prone
177 V A 0.7169 Aggregation-prone
178 L A 1.3434 Aggregation-prone
179 Q A 0.2711 Aggregation-prone
180 S A -0.0078 Soluble
181 S A -0.2444 Soluble
182 G A -0.0029 Soluble
183 L A -0.3119 Soluble
184 Y A 0.0000 Buried
185 S A 0.0000 Buried
186 L A 0.0897 Aggregation-prone
187 S A 0.0000 Buried
188 S A 0.0000 Buried
189 V A 0.0000 Buried
190 V A 0.0000 Buried
191 T A -0.1506 Soluble
192 V A 0.0000 Buried
193 P A -0.5045 Soluble
194 S A -0.5915 Soluble
195 S A -0.6134 Soluble
196 S A -0.5699 Soluble
197 L A -0.8580 Soluble
198 G A -1.0208 Soluble
199 T A -0.6647 Soluble
200 Q A -1.0804 Soluble
201 T A -1.0920 Soluble
202 Y A 0.0000 Buried
203 I A -1.2485 Soluble
204 C A 0.0000 Buried
205 N A -1.4113 Soluble
206 V A 0.0000 Buried
207 N A -1.9503 Soluble
208 H A 0.0000 Buried
209 K A -2.8490 Soluble
210 P A -1.7567 Soluble
211 S A -1.9888 Soluble
212 N A -2.6189 Soluble
213 T A -2.1846 Soluble
214 K A -2.6778 Soluble
215 V A -1.6236 Soluble
216 D A -2.3996 Soluble
217 K A -2.0534 Soluble
218 K A -2.4579 Soluble
219 V A 0.0000 Buried
220 E A -2.7626 Soluble
221 P A -1.8765 Soluble
222 K A -2.4911 Soluble
1 D B -1.2287 Soluble
2 I B 0.0553 Aggregation-prone
3 V B 0.8934 Aggregation-prone
4 M B 0.0000 Buried
5 T B -0.7166 Soluble
6 Q B 0.0000 Buried
7 S B -1.3563 Soluble
8 P B -1.3759 Soluble
9 D B -2.2534 Soluble
10 S B -1.1848 Soluble
11 L B -0.6178 Soluble
12 A B -0.4304 Soluble
13 V B 0.0000 Buried
14 S B -1.1815 Soluble
15 L B -0.1865 Soluble
16 G B -1.2725 Soluble
17 E B -2.8191 Soluble
18 R B -2.8498 Soluble
19 A B 0.0000 Buried
20 T B -0.6564 Soluble
21 I B 0.0000 Buried
22 N B -1.6435 Soluble
23 C B 0.0000 Buried
24 E B -2.0054 Soluble
25 S B 0.0000 Buried
26 S B -0.8898 Soluble
27 Q B -1.3970 Soluble
28 S B -0.9196 Soluble
29 L B 0.0000 Buried
30 L B -0.3478 Soluble
31 N B -1.0397 Soluble
32 S B -1.2269 Soluble
33 G B -1.5805 Soluble
34 N B -2.1554 Soluble
35 Q B -2.2364 Soluble
36 K B -1.6926 Soluble
37 N B 0.0000 Buried
38 Y B 0.1641 Aggregation-prone
39 L B 0.0000 Buried
40 T B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B 0.0000 Buried
44 Q B -1.0775 Soluble
45 K B -1.5117 Soluble
46 P B -1.1778 Soluble
47 G B -1.3578 Soluble
48 Q B -1.9020 Soluble
49 P B -1.2921 Soluble
50 P B 0.0000 Buried
51 K B -1.5044 Soluble
52 P B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.0000 Buried
56 W B -0.1542 Soluble
57 A B 0.0000 Buried
65 S B -0.8347 Soluble
66 T B -0.9323 Soluble
67 R B -2.0027 Soluble
68 E B -1.4067 Soluble
69 S B -0.9620 Soluble
70 G B -1.1037 Soluble
71 V B 0.0000 Buried
72 P B -1.4575 Soluble
74 D B -2.2643 Soluble
75 R B -1.6048 Soluble
76 F B 0.0000 Buried
77 S B -0.9950 Soluble
78 G B 0.0000 Buried
79 S B -0.8631 Soluble
80 G B -1.3775 Soluble
83 S B -1.2567 Soluble
84 G B -1.2222 Soluble
85 T B -1.7249 Soluble
86 D B -2.7500 Soluble
87 F B 0.0000 Buried
88 T B -1.1125 Soluble
89 L B 0.0000 Buried
90 T B -0.6933 Soluble
91 I B 0.0000 Buried
92 S B -1.9409 Soluble
93 S B -1.8989 Soluble
94 L B 0.0000 Buried
95 Q B -1.3867 Soluble
96 A B -1.0050 Soluble
97 E B -1.9944 Soluble
98 D B 0.0000 Buried
99 V B -0.5383 Soluble
100 A B 0.0000 Buried
101 V B -0.4303 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 Q B 0.0000 Buried
106 N B 0.0000 Buried
107 D B 0.0000 Buried
108 Y B 0.9320 Aggregation-prone
109 S B 0.5641 Aggregation-prone
114 Y B 0.6893 Aggregation-prone
115 P B 0.0000 Buried
116 Y B 0.3675 Aggregation-prone
117 T B 0.1818 Aggregation-prone
118 F B 0.0000 Buried
119 G B 0.0000 Buried
120 Q B -1.4578 Soluble
121 G B -1.2988 Soluble
122 T B 0.0000 Buried
123 K B -1.1514 Soluble
124 L B 0.0000 Buried
125 E B 0.0000 Buried
126 I B 0.0000 Buried
127 K B -1.4610 Soluble
128 R B -0.8752 Soluble
129 T B -0.0841 Soluble
130 V B 0.6069 Aggregation-prone
131 A B 0.1714 Aggregation-prone
132 A B -0.1255 Soluble
133 P B 0.0000 Buried
134 S B -0.1388 Soluble
135 V B 0.0000 Buried
136 F B 0.0744 Aggregation-prone
137 I B 0.1128 Aggregation-prone
138 F B 0.0000 Buried
139 P B -0.5679 Soluble
140 P B -0.7318 Soluble
141 S B -1.3756 Soluble
142 D B -2.6047 Soluble
143 E B -2.3366 Soluble
144 Q B 0.0000 Buried
145 L B -2.1382 Soluble
146 K B -2.6233 Soluble
147 S B -1.6514 Soluble
148 G B -1.3933 Soluble
149 T B -1.0836 Soluble
150 A B 0.0000 Buried
151 S B 0.0000 Buried
152 V B 0.0000 Buried
153 V B 0.0000 Buried
154 C B 0.0000 Buried
155 L B 0.0000 Buried
156 L B 0.0000 Buried
157 N B 0.0000 Buried
158 N B -0.8418 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.2682 Soluble
162 R B -2.0135 Soluble
163 E B -2.6712 Soluble
164 A B -1.9787 Soluble
165 K B -2.0867 Soluble
166 V B -0.8729 Soluble
167 Q B -0.4528 Soluble
168 W B 0.0000 Buried
169 K B -0.5720 Soluble
170 V B 0.0000 Buried
171 D B -1.6519 Soluble
172 N B -1.3737 Soluble
173 A B -0.4120 Soluble
174 L B 0.6566 Aggregation-prone
175 Q B -0.1362 Soluble
176 S B -0.5184 Soluble
177 G B -0.9492 Soluble
178 N B -0.9212 Soluble
179 S B -1.2218 Soluble
180 Q B -1.7819 Soluble
181 E B -1.9969 Soluble
182 S B -1.0145 Soluble
183 V B -0.7055 Soluble
184 T B -1.0927 Soluble
185 E B -2.1840 Soluble
186 Q B -1.9672 Soluble
187 D B -2.1018 Soluble
188 S B -1.9732 Soluble
189 K B -2.2452 Soluble
190 D B -1.7051 Soluble
191 S B -1.8262 Soluble
192 T B 0.0000 Buried
193 Y B 0.0000 Buried
194 S B 0.0000 Buried
195 L B 0.0000 Buried
196 S B 0.0000 Buried
197 S B 0.0000 Buried
198 T B -0.7749 Soluble
199 L B 0.0000 Buried
200 T B -0.3466 Soluble
201 L B -0.8144 Soluble
202 S B -1.2685 Soluble
203 K B -2.2818 Soluble
204 A B -2.0705 Soluble
205 D B -3.1887 Soluble
206 Y B 0.0000 Buried
207 E B -3.8326 Soluble
208 K B -3.6999 Soluble
209 H B -2.9557 Soluble
210 K B -2.8978 Soluble
211 V B -1.3305 Soluble
212 Y B 0.0000 Buried
213 A B -0.6863 Soluble
214 C B 0.0000 Buried
215 E B -0.7757 Soluble
216 V B 0.0000 Buried
217 T B -1.0469 Soluble
218 H B 0.0000 Buried
219 Q B -1.4881 Soluble
220 G B -0.3973 Soluble
221 L B -0.2407 Soluble
222 S B -0.4841 Soluble
223 S B -0.3817 Soluble
224 P B -0.4208 Soluble
225 V B 0.1153 Aggregation-prone
226 T B -0.4287 Soluble
227 K B -0.7107 Soluble
228 S B -0.6400 Soluble
229 F B -1.1904 Soluble
230 N B -2.4237 Soluble
231 R B -2.5809 Soluble
232 G B -2.2097 Soluble
233 E B -2.7897 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 -0.6749 2.5747 CSV PDB
4.5 -0.7188 2.5545 CSV PDB
5.0 -0.7725 2.5155 CSV PDB
5.5 -0.8247 2.461 CSV PDB
6.0 -0.8618 2.4501 CSV PDB
6.5 -0.873 2.4798 CSV PDB
7.0 -0.8573 2.5213 CSV PDB
7.5 -0.8231 2.5689 CSV PDB
8.0 -0.7789 2.619 CSV PDB
8.5 -0.728 2.6697 CSV PDB
9.0 -0.6707 2.7203 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH