Amatuximab / 4f33

A4DAB011_4f33_B_A | Source PDB: 4f33 | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6981
Max Score
1.784
Min Score
-3.6793
Total Score
-299.5
Score CDR
-0.3703
Score non-CDR
-0.7366

Calculation Parameters

Chain Sequence(s) VQLQQSGPELEKPGASVKISCKASGYSFTGYTMNWVKQSHGKSLEWIGLITPYNGASSYNQKFRGKATLTVDKSSSTAYMDLLSLTSEDSAVYFCARGGYDGRGFDYWGSGTPVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIELTQSPAIMSASPGEKVTMTCSASSSVSYMHWYQQKSGTSPKRWIYDTSKLASGVPGRFSGSGSGNSYSLTISSVEAEDDATYYCQQWSKHPLTFGSGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) B (Heavy), A (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 -3.6793
Maximum Score 1.784
Average Score -0.6981
Total Score -299.5031

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

Index Residue Chain A4D Score Classification
2 V B 0.6198 Aggregation-prone
3 Q B -0.8392 Soluble
4 L B 0.0000 Buried
5 Q B -1.6879 Soluble
6 Q B -1.1469 Soluble
7 S B -0.9032 Soluble
8 G B -0.8996 Soluble
9 P B -0.8165 Soluble
11 E B -1.1226 Soluble
12 L B -0.7365 Soluble
13 E B -1.5024 Soluble
14 K B -2.2338 Soluble
15 P B -1.5752 Soluble
16 G B -1.1001 Soluble
17 A B -0.8797 Soluble
18 S B -0.8672 Soluble
19 V B 0.0000 Buried
20 K B -1.6941 Soluble
21 I B 0.0000 Buried
22 S B -0.8548 Soluble
23 C B 0.0000 Buried
24 K B -1.7491 Soluble
25 A B 0.0000 Buried
26 S B -0.6759 Soluble
27 G B -0.2009 Soluble
28 Y B 0.0192 Aggregation-prone
29 S B -0.1444 Soluble
30 F B 0.0000 Buried
35 T B -0.0918 Soluble
36 G B 0.1923 Aggregation-prone
37 Y B 0.3467 Aggregation-prone
38 T B 0.0000 Buried
39 M B 0.0000 Buried
40 N B 0.0000 Buried
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 K B -0.5553 Soluble
44 Q B 0.0000 Buried
45 S B -1.4918 Soluble
46 H B -1.7825 Soluble
47 G B -1.8540 Soluble
48 K B -2.4881 Soluble
49 S B -1.5392 Soluble
50 L B 0.0000 Buried
51 E B -0.8266 Soluble
52 W B 0.0000 Buried
53 I B 0.0000 Buried
54 G B 0.0000 Buried
55 L B 0.1855 Aggregation-prone
56 I B 0.0000 Buried
57 T B 0.2013 Aggregation-prone
58 P B 0.0000 Buried
59 Y B 0.4163 Aggregation-prone
62 N B -0.8671 Soluble
63 G B -0.6724 Soluble
64 A B -0.2471 Soluble
65 S B -0.2552 Soluble
66 S B -0.5624 Soluble
67 Y B 0.0000 Buried
68 N B 0.0000 Buried
69 Q B -2.8950 Soluble
70 K B -2.9532 Soluble
71 F B 0.0000 Buried
72 R B -3.0814 Soluble
74 G B -1.8840 Soluble
75 K B -1.4468 Soluble
76 A B 0.0000 Buried
77 T B -0.7850 Soluble
78 L B 0.0000 Buried
79 T B -0.4031 Soluble
80 V B -0.7005 Soluble
81 D B -1.6105 Soluble
82 K B -1.8265 Soluble
83 S B -1.1919 Soluble
84 S B -1.1391 Soluble
85 S B -1.2266 Soluble
86 T B 0.0000 Buried
87 A B 0.0000 Buried
88 Y B -0.5193 Soluble
89 M B 0.0000 Buried
90 D B -1.0772 Soluble
91 L B 0.0000 Buried
92 L B -0.1572 Soluble
93 S B -0.4959 Soluble
94 L B 0.0000 Buried
95 T B -1.2468 Soluble
96 S B -1.5146 Soluble
97 E B -1.9779 Soluble
98 D B 0.0000 Buried
99 S B -0.8727 Soluble
100 A B -0.6776 Soluble
101 V B 0.1230 Aggregation-prone
102 Y B 0.0000 Buried
103 F B 0.0000 Buried
104 C B 0.0000 Buried
105 A B 0.0000 Buried
106 R B 0.0000 Buried
107 G B 0.0000 Buried
108 G B -0.1779 Soluble
109 Y B 0.3122 Aggregation-prone
110 D B -1.3204 Soluble
112 G B -0.6308 Soluble
113 R B -0.9796 Soluble
114 G B -0.2197 Soluble
115 F B 0.0000 Buried
116 D B -0.1967 Soluble
117 Y B 0.3043 Aggregation-prone
118 W B -0.1995 Soluble
119 G B 0.0000 Buried
120 S B -0.6026 Soluble
121 G B -0.3248 Soluble
122 T B 0.0000 Buried
123 P B -0.1615 Soluble
124 V B 0.0000 Buried
125 T B -0.7957 Soluble
126 V B 0.0000 Buried
127 S B -0.9807 Soluble
128 S B -1.0502 Soluble
129 A B -0.6304 Soluble
130 S B -0.7182 Soluble
131 T B -0.8299 Soluble
132 K B -1.1295 Soluble
133 G B -1.3874 Soluble
134 P B -0.6207 Soluble
135 S B -0.2408 Soluble
136 V B 0.0000 Buried
137 F B 0.0000 Buried
138 P B -1.0632 Soluble
139 L B 0.0000 Buried
140 A B -1.3252 Soluble
141 P B 0.0000 Buried
142 S B -1.2046 Soluble
143 S B -0.9883 Soluble
144 K B -1.2804 Soluble
145 S B 0.0000 Buried
146 T B -0.7799 Soluble
147 S B -0.8134 Soluble
148 G B -0.8316 Soluble
149 G B -0.9056 Soluble
150 T B -0.6241 Soluble
151 A B 0.0000 Buried
152 A B 0.0000 Buried
153 L B 0.0000 Buried
154 G B 0.0000 Buried
156 L B 0.0000 Buried
157 V B 0.0000 Buried
158 K B 0.0000 Buried
159 D B -0.2902 Soluble
160 Y B 0.0000 Buried
161 F B 0.0000 Buried
162 P B 0.0000 Buried
163 E B -0.6019 Soluble
164 P B -0.8395 Soluble
165 V B -0.8009 Soluble
166 T B -0.7096 Soluble
167 V B -0.5049 Soluble
168 S B -0.4719 Soluble
169 W B 0.0000 Buried
170 N B -0.7261 Soluble
171 S B -0.6561 Soluble
172 G B -0.5755 Soluble
173 A B -0.2436 Soluble
174 L B 0.0094 Aggregation-prone
175 T B -0.1815 Soluble
176 S B -0.1856 Soluble
177 G B -0.2250 Soluble
178 V B 0.1369 Aggregation-prone
179 H B -0.3182 Soluble
180 T B -0.1522 Soluble
181 F B 0.0000 Buried
182 P B -0.2752 Soluble
183 A B 0.2838 Aggregation-prone
184 V B 0.6606 Aggregation-prone
185 L B 1.3818 Aggregation-prone
186 Q B 0.4040 Aggregation-prone
187 S B -0.0189 Soluble
188 S B -0.1704 Soluble
189 G B 0.0835 Aggregation-prone
190 L B 0.2821 Aggregation-prone
191 Y B 0.5820 Aggregation-prone
192 S B 0.0000 Buried
193 L B 0.0000 Buried
194 S B 0.0000 Buried
195 S B 0.0000 Buried
196 V B 0.0000 Buried
197 V B 0.0000 Buried
198 T B -0.1268 Soluble
199 V B 0.0000 Buried
200 P B -0.6212 Soluble
201 S B -0.5964 Soluble
202 S B -0.5788 Soluble
203 S B -0.5958 Soluble
204 L B -0.7502 Soluble
205 G B -0.9289 Soluble
206 T B -0.6725 Soluble
207 Q B -1.1248 Soluble
208 T B -1.0365 Soluble
209 Y B 0.0000 Buried
210 I B -1.1428 Soluble
211 C B 0.0000 Buried
212 N B -1.5907 Soluble
213 V B 0.0000 Buried
214 N B -2.3252 Soluble
215 H B 0.0000 Buried
216 K B -2.9601 Soluble
217 P B -1.7742 Soluble
218 S B -1.9003 Soluble
219 N B -2.5811 Soluble
220 T B -2.2031 Soluble
221 K B -2.8663 Soluble
222 V B -1.5950 Soluble
223 D B -2.5727 Soluble
224 K B -1.9305 Soluble
225 K B -2.4516 Soluble
226 V B 0.0000 Buried
227 E B -2.7801 Soluble
228 P B -1.9062 Soluble
229 K B -2.2419 Soluble
1 D A -2.8182 Soluble
2 I A 0.0000 Buried
3 E A -2.4478 Soluble
4 L A 0.0000 Buried
5 T A -0.6935 Soluble
6 Q A 0.0000 Buried
7 S A 0.0555 Aggregation-prone
8 P A 0.4063 Aggregation-prone
9 A A 0.7875 Aggregation-prone
10 I A 1.7840 Aggregation-prone
11 M A 0.7389 Aggregation-prone
12 S A -0.1533 Soluble
13 A A 0.0000 Buried
14 S A -1.8564 Soluble
15 P A -2.1349 Soluble
16 G A -2.0247 Soluble
17 E A -2.9045 Soluble
18 K A -2.6697 Soluble
19 V A -1.2067 Soluble
20 T A -0.4095 Soluble
21 M A 0.0000 Buried
22 T A -0.2407 Soluble
23 C A 0.0000 Buried
24 S A -0.8294 Soluble
25 A A 0.0000 Buried
26 S A -1.4008 Soluble
27 S A -1.3764 Soluble
28 S A -1.0159 Soluble
29 V A 0.0000 Buried
37 S A 0.1841 Aggregation-prone
38 Y A 0.7176 Aggregation-prone
39 M A 0.0000 Buried
40 H A 0.0000 Buried
41 W A 0.0000 Buried
42 Y A 0.0000 Buried
43 Q A 0.0000 Buried
44 Q A -1.1702 Soluble
45 K A -1.3469 Soluble
46 S A -1.1939 Soluble
47 G A -0.9808 Soluble
48 T A -0.8458 Soluble
49 S A -0.6611 Soluble
50 P A 0.0000 Buried
51 K A -1.7447 Soluble
52 R A -0.9267 Soluble
53 W A 0.0000 Buried
54 I A 0.0000 Buried
55 Y A -0.5412 Soluble
56 D A -0.4124 Soluble
57 T A -0.3764 Soluble
65 S A -1.0021 Soluble
66 K A -1.6604 Soluble
67 L A -0.7387 Soluble
68 A A -0.7526 Soluble
69 S A -0.5746 Soluble
70 G A -0.5846 Soluble
71 V A 0.0000 Buried
72 P A -0.5506 Soluble
74 G A -0.7364 Soluble
75 R A -1.0561 Soluble
76 F A 0.0000 Buried
77 S A -0.7399 Soluble
78 G A -0.5911 Soluble
79 S A -0.6549 Soluble
80 G A -0.6039 Soluble
83 S A -0.6340 Soluble
84 G A -0.9552 Soluble
85 N A -1.1902 Soluble
86 S A -0.8544 Soluble
87 Y A 0.0000 Buried
88 S A -0.3616 Soluble
89 L A 0.0000 Buried
90 T A -0.5410 Soluble
91 I A 0.0000 Buried
92 S A -1.5639 Soluble
93 S A -1.9567 Soluble
94 V A 0.0000 Buried
95 E A -2.4331 Soluble
96 A A -2.4446 Soluble
97 E A -2.8547 Soluble
98 D A 0.0000 Buried
99 D A 0.0000 Buried
100 A A 0.0000 Buried
101 T A -0.3873 Soluble
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 Q A 0.0000 Buried
106 Q A 0.0000 Buried
107 W A -0.0438 Soluble
108 S A -0.6924 Soluble
109 K A -2.3853 Soluble
114 H A -2.1949 Soluble
115 P A -1.8559 Soluble
116 L A -0.9368 Soluble
117 T A -1.0627 Soluble
118 F A 0.0000 Buried
119 G A 0.0000 Buried
120 S A -0.8831 Soluble
121 G A 0.0000 Buried
122 T A 0.0000 Buried
123 K A 0.1677 Aggregation-prone
124 V A 0.0000 Buried
125 E A -0.7249 Soluble
126 I A 0.0000 Buried
127 K A -1.5379 Soluble
128 R A -1.1163 Soluble
129 T A -0.0895 Soluble
130 V A 0.4591 Aggregation-prone
131 A A -0.0041 Soluble
132 A A -0.0740 Soluble
133 P A 0.0000 Buried
134 S A -0.2484 Soluble
135 V A 0.0000 Buried
136 F A 0.0000 Buried
137 I A 0.0000 Buried
138 F A 0.0000 Buried
139 P A -0.8040 Soluble
140 P A -0.8613 Soluble
141 S A -1.7995 Soluble
142 D A -2.9094 Soluble
143 E A -2.8484 Soluble
144 Q A 0.0000 Buried
145 L A -2.2845 Soluble
146 K A -2.8384 Soluble
147 S A -1.7463 Soluble
148 G A -1.3996 Soluble
149 T A -1.2456 Soluble
150 A A 0.0000 Buried
151 S A 0.0000 Buried
152 V A 0.0000 Buried
153 V A 0.0000 Buried
154 C A 0.0000 Buried
155 L A 0.0000 Buried
156 L A 0.0000 Buried
157 N A 0.0000 Buried
158 N A -1.0029 Soluble
159 F A 0.0000 Buried
160 Y A 0.0000 Buried
161 P A -1.6293 Soluble
162 R A -2.7656 Soluble
163 E A -3.0516 Soluble
164 A A -2.2056 Soluble
165 K A -2.2483 Soluble
166 V A 0.0000 Buried
167 Q A -0.9682 Soluble
168 W A 0.0000 Buried
169 K A -0.8635 Soluble
170 V A 0.0000 Buried
171 D A -1.7049 Soluble
172 N A -1.5139 Soluble
173 A A -0.4781 Soluble
174 L A 0.0237 Aggregation-prone
175 Q A -0.6631 Soluble
176 S A -0.8025 Soluble
177 G A -1.1958 Soluble
178 N A -1.4202 Soluble
179 S A -1.3976 Soluble
180 Q A -1.3557 Soluble
181 E A -1.5667 Soluble
182 S A -0.7912 Soluble
183 V A -0.8264 Soluble
184 T A -0.9238 Soluble
185 E A -1.6970 Soluble
186 Q A 0.0000 Buried
187 D A -2.0913 Soluble
188 S A -2.4082 Soluble
189 K A -2.7396 Soluble
190 D A -1.8954 Soluble
191 S A 0.0000 Buried
192 T A 0.0000 Buried
193 Y A 0.0000 Buried
194 S A 0.0000 Buried
195 L A 0.0000 Buried
196 S A 0.0000 Buried
197 S A 0.0000 Buried
198 T A -0.7020 Soluble
199 L A 0.0000 Buried
200 T A -0.6521 Soluble
201 L A -0.8668 Soluble
202 S A -1.3748 Soluble
203 K A -2.2553 Soluble
204 A A -2.0302 Soluble
205 D A -2.8782 Soluble
206 Y A 0.0000 Buried
207 E A -3.4807 Soluble
208 K A -3.6793 Soluble
209 H A -3.0619 Soluble
210 K A -3.2661 Soluble
211 V A -1.6874 Soluble
212 Y A 0.0000 Buried
213 A A 0.0000 Buried
214 C A 0.0000 Buried
215 E A -0.9101 Soluble
216 V A 0.0000 Buried
217 T A -1.1442 Soluble
218 H A 0.0000 Buried
219 Q A -1.7338 Soluble
220 G A -0.4899 Soluble
221 L A -0.2526 Soluble
222 S A -0.4751 Soluble
223 S A -0.4349 Soluble
224 P A -0.4601 Soluble
225 V A -0.0416 Soluble
226 T A -0.4732 Soluble
227 K A -0.8289 Soluble
228 S A -0.8599 Soluble
229 F A 0.0000 Buried
230 N A -2.2686 Soluble
231 R A -2.5473 Soluble
232 G A -1.5582 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 -0.8542 2.9433 CSV PDB
4.5 -0.8936 2.935 CSV PDB
5.0 -0.9387 2.9261 CSV PDB
5.5 -0.9777 2.9196 CSV PDB
6.0 -0.9978 2.9211 CSV PDB
6.5 -0.99 2.9377 CSV PDB
7.0 -0.9558 2.9716 CSV PDB
7.5 -0.9047 3.0169 CSV PDB
8.0 -0.8447 3.0674 CSV PDB
8.5 -0.779 3.1197 CSV PDB
9.0 -0.7085 3.1723 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH