Gemtuzumab / 8w70

A4DAB128_8w70_B_A | Source PDB: 8w70 | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7298
Max Score
0.9999
Min Score
-3.352
Total Score
-313.09
Score CDR
—
Score non-CDR
—

Calculation Parameters

Chain Sequence(s) EVQLVQSGAEVKKPGSSVKVSCKASGSNIHWVRQAPGQSLEWIGYIYPYNGGTDYNQKFKNRATLTVDNPTNTAYMELSSLRSEDTAFYYCVNGNPWLAYWGQGTLVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDDIQLTQSPSTLSASVGDRVTITCRASESLDNYGIRFLTWFQQKPGKAPKLLMYAASNQGSGVPSRFSGSGSGTEFTLTISSLQPDDFATYYCQQTKEVPWSFGQGTKVEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.352
Maximum Score 0.9999
Average Score -0.7298
Total Score -313.0902

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

Index Residue Chain A4D Score Classification
1 E B -2.0738 Soluble
2 V B -1.1699 Soluble
3 Q B -1.3492 Soluble
4 L B 0.0000 Buried
5 V B 0.7607 Aggregation-prone
6 Q B 0.0000 Buried
7 S B -0.3978 Soluble
8 G B -0.4934 Soluble
9 A B 0.0480 Aggregation-prone
11 E B -0.1909 Soluble
12 V B 0.5999 Aggregation-prone
13 K B -0.9119 Soluble
14 K B -1.8630 Soluble
15 P B -1.8884 Soluble
16 G B -1.4700 Soluble
17 S B -1.1716 Soluble
18 S B -1.2877 Soluble
19 V B 0.0000 Buried
20 K B -1.7767 Soluble
21 V B 0.0000 Buried
22 S B -0.4560 Soluble
23 C B 0.0000 Buried
24 K B -0.8668 Soluble
25 A B -0.8138 Soluble
26 S B -1.0799 Soluble
27 G B -1.2706 Soluble
28 S B -0.3689 Soluble
37 N B -0.2552 Soluble
38 I B 0.0000 Buried
40 H B 0.0000 Buried
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 R B -0.2983 Soluble
44 Q B 0.0000 Buried
45 A B -0.7939 Soluble
46 P B -0.7179 Soluble
47 G B -1.2453 Soluble
48 Q B -1.7334 Soluble
49 S B -1.1655 Soluble
50 L B 0.0000 Buried
51 E B -0.8572 Soluble
52 W B 0.0000 Buried
53 I B 0.0000 Buried
54 G B 0.0000 Buried
55 Y B 0.1916 Aggregation-prone
56 I B 0.0000 Buried
57 Y B 0.3197 Aggregation-prone
58 P B -0.0842 Soluble
59 Y B 0.5131 Aggregation-prone
62 N B -0.7713 Soluble
63 G B -0.6306 Soluble
64 G B -0.6020 Soluble
65 T B -0.5605 Soluble
66 D B -0.8192 Soluble
67 Y B -1.0948 Soluble
68 N B 0.0000 Buried
69 Q B -2.6650 Soluble
70 K B -2.8808 Soluble
71 F B 0.0000 Buried
72 K B -3.1543 Soluble
74 N B -2.5281 Soluble
75 R B -1.7720 Soluble
76 A B 0.0000 Buried
77 T B -0.9540 Soluble
78 L B 0.0000 Buried
79 T B -0.2299 Soluble
80 V B -0.5051 Soluble
81 D B -1.5645 Soluble
82 N B -1.8336 Soluble
83 P B -1.3450 Soluble
84 T B -1.4072 Soluble
85 N B -2.0390 Soluble
86 T B 0.0000 Buried
87 A B 0.0000 Buried
88 Y B -0.5040 Soluble
89 M B 0.0000 Buried
90 E B -1.4592 Soluble
91 L B 0.0000 Buried
92 S B -1.1870 Soluble
93 S B -1.1615 Soluble
94 L B 0.0000 Buried
95 R B -2.7252 Soluble
96 S B -2.1805 Soluble
97 E B -2.4295 Soluble
98 D B 0.0000 Buried
99 T B -0.6590 Soluble
100 A B 0.0000 Buried
101 F B 0.6645 Aggregation-prone
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 V B 0.0000 Buried
106 N B -0.4211 Soluble
107 G B 0.0000 Buried
108 N B -1.4149 Soluble
109 P B -1.0186 Soluble
114 W B 0.0000 Buried
115 L B 0.0000 Buried
116 A B -0.3849 Soluble
117 Y B -0.2698 Soluble
118 W B -0.2491 Soluble
119 G B 0.0000 Buried
120 Q B -1.1984 Soluble
121 G B -0.4407 Soluble
122 T B 0.0000 Buried
123 L B 0.4735 Aggregation-prone
124 V B 0.0000 Buried
125 T B 0.0000 Buried
126 V B 0.0000 Buried
127 S B -1.1063 Soluble
128 S B -1.1159 Soluble
129 A B -0.6061 Soluble
130 S B -0.7249 Soluble
131 T B -0.8602 Soluble
132 K B -1.8893 Soluble
133 G B -1.7155 Soluble
134 P B -0.8221 Soluble
135 S B -0.5418 Soluble
136 V B 0.0000 Buried
137 F B -0.7590 Soluble
138 P B -1.0497 Soluble
139 L B 0.0000 Buried
140 A B -1.1535 Soluble
141 P B -0.7906 Soluble
142 S B -1.0122 Soluble
143 S B -0.9571 Soluble
144 G B -0.8613 Soluble
145 G B -0.9026 Soluble
146 T B -0.6101 Soluble
147 A B 0.0000 Buried
148 A B 0.0000 Buried
149 L B 0.0000 Buried
150 G B 0.0000 Buried
151 C B 0.0000 Buried
152 L B 0.0000 Buried
153 V B 0.0000 Buried
154 K B 0.0000 Buried
155 D B -0.6612 Soluble
156 Y B 0.0000 Buried
157 F B 0.0000 Buried
158 P B 0.0000 Buried
159 E B -0.6600 Soluble
160 P B -0.9501 Soluble
161 V B -0.8659 Soluble
162 T B -0.7301 Soluble
163 V B -0.2811 Soluble
164 S B -0.4019 Soluble
165 W B 0.0000 Buried
166 N B -0.7303 Soluble
167 S B -0.5971 Soluble
168 G B -0.4813 Soluble
169 A B -0.1782 Soluble
170 L B 0.0424 Aggregation-prone
171 T B -0.1752 Soluble
172 S B -0.2470 Soluble
173 G B -0.2885 Soluble
174 V B 0.1308 Aggregation-prone
175 H B -0.3277 Soluble
176 T B -0.0147 Soluble
177 F B 0.0000 Buried
178 P B -0.4429 Soluble
179 A B -0.0520 Soluble
180 V B 0.2462 Aggregation-prone
181 L B 0.8808 Aggregation-prone
182 Q B 0.1751 Aggregation-prone
183 S B -0.1130 Soluble
184 S B -0.2048 Soluble
185 G B 0.0294 Aggregation-prone
186 L B -0.0796 Soluble
187 Y B 0.1651 Aggregation-prone
188 S B 0.0000 Buried
189 L B 0.0000 Buried
190 S B 0.0000 Buried
191 S B 0.0000 Buried
192 V B 0.0000 Buried
193 V B 0.0000 Buried
194 T B -0.1532 Soluble
195 V B 0.0000 Buried
196 P B -0.5136 Soluble
197 S B -0.6005 Soluble
198 S B -0.6266 Soluble
199 S B -0.5620 Soluble
200 L B -0.6154 Soluble
201 G B -0.8499 Soluble
202 T B -0.6842 Soluble
203 Q B -1.2005 Soluble
204 T B -1.0418 Soluble
205 Y B 0.0000 Buried
206 I B -1.2707 Soluble
207 C B 0.0000 Buried
208 N B -1.6487 Soluble
209 V B 0.0000 Buried
210 N B -2.2619 Soluble
211 H B 0.0000 Buried
212 K B -2.8555 Soluble
213 P B -1.8003 Soluble
214 S B -2.0462 Soluble
215 N B -2.7215 Soluble
216 T B -2.2815 Soluble
217 K B -2.8692 Soluble
218 V B -2.0228 Soluble
219 D B -2.7684 Soluble
220 K B -2.2568 Soluble
221 K B -2.5184 Soluble
222 V B 0.0000 Buried
223 E B -2.6326 Soluble
224 P B -1.8567 Soluble
225 K B -2.3803 Soluble
226 S B -1.4229 Soluble
227 C B -0.7902 Soluble
228 D B -2.1237 Soluble
1 D A -2.5048 Soluble
2 I A 0.0000 Buried
3 Q A -2.2577 Soluble
4 L A 0.0000 Buried
5 T A -1.2359 Soluble
6 Q A 0.0000 Buried
7 S A -0.5296 Soluble
8 P A -0.4504 Soluble
9 S A -0.7623 Soluble
10 T A -0.6437 Soluble
11 L A -0.4532 Soluble
12 S A -0.8054 Soluble
13 A A 0.0000 Buried
14 S A -0.4405 Soluble
15 V A 0.3868 Aggregation-prone
16 G A -0.6481 Soluble
17 D A -1.4180 Soluble
18 R A -2.1800 Soluble
19 V A 0.0000 Buried
20 T A -0.5454 Soluble
21 I A 0.0000 Buried
22 T A -0.8626 Soluble
23 C A 0.0000 Buried
24 R A -2.6945 Soluble
25 A A -2.2408 Soluble
26 S A -2.2648 Soluble
27 E A -3.0592 Soluble
28 S A -1.7950 Soluble
29 L A 0.0000 Buried
30 D A -0.7561 Soluble
31 N A -0.0406 Soluble
34 Y A 0.9851 Aggregation-prone
35 G A 0.1950 Aggregation-prone
36 I A 0.4406 Aggregation-prone
37 R A -0.2657 Soluble
38 F A -0.1342 Soluble
39 L A 0.0000 Buried
40 T A 0.0000 Buried
41 W A 0.0000 Buried
42 F A 0.0000 Buried
43 Q A 0.0000 Buried
44 Q A -1.4608 Soluble
45 K A -1.8484 Soluble
46 P A -1.6357 Soluble
47 G A -1.7819 Soluble
48 K A -2.6708 Soluble
49 A A -1.6963 Soluble
50 P A 0.0000 Buried
51 K A -1.9029 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 M A 0.0000 Buried
55 Y A -0.0721 Soluble
56 A A -0.0647 Soluble
57 A A 0.0000 Buried
65 S A -0.5990 Soluble
66 N A -0.8192 Soluble
67 Q A -1.0280 Soluble
68 G A 0.0000 Buried
69 S A -0.7895 Soluble
70 G A -0.6488 Soluble
71 V A -0.7318 Soluble
72 P A -0.5390 Soluble
74 S A -0.6486 Soluble
75 R A -0.9545 Soluble
76 F A 0.0000 Buried
77 S A -0.6147 Soluble
78 G A -0.4261 Soluble
79 S A -0.7456 Soluble
80 G A -1.1480 Soluble
83 S A -0.9848 Soluble
84 G A -1.4544 Soluble
85 T A -2.1314 Soluble
86 E A -2.7453 Soluble
87 F A 0.0000 Buried
88 T A -0.7922 Soluble
89 L A 0.0000 Buried
90 T A -0.6180 Soluble
91 I A 0.0000 Buried
92 S A -1.4218 Soluble
93 S A -1.0856 Soluble
94 L A 0.0000 Buried
95 Q A -0.9979 Soluble
96 P A -0.9599 Soluble
97 D A -1.8937 Soluble
98 D A 0.0000 Buried
99 F A -0.4938 Soluble
100 A A 0.0000 Buried
101 T A -0.8552 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 T A 0.0000 Buried
108 K A -1.1355 Soluble
109 E A -1.8655 Soluble
114 V A -0.6733 Soluble
115 P A -1.1809 Soluble
116 W A -0.5155 Soluble
117 S A -0.8909 Soluble
118 F A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.2275 Soluble
121 G A 0.0000 Buried
122 T A 0.0000 Buried
123 K A -1.4616 Soluble
124 V A 0.0000 Buried
125 E A 0.0000 Buried
126 V A -0.5997 Soluble
127 K A -1.3542 Soluble
128 R A -0.9895 Soluble
129 T A 0.1492 Aggregation-prone
130 V A 0.9999 Aggregation-prone
131 A A 0.3376 Aggregation-prone
132 A A 0.0900 Aggregation-prone
133 P A -0.0697 Soluble
134 S A -0.1315 Soluble
135 V A 0.0000 Buried
136 F A 0.1660 Aggregation-prone
137 I A 0.0325 Aggregation-prone
138 F A 0.0000 Buried
139 P A -0.3434 Soluble
140 P A -0.8158 Soluble
141 S A -1.8483 Soluble
142 D A -3.0488 Soluble
143 E A -3.1944 Soluble
144 Q A 0.0000 Buried
145 L A -2.1673 Soluble
146 K A -2.8844 Soluble
147 S A -1.8173 Soluble
148 G A -1.2928 Soluble
149 T A -1.0101 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 -0.8923 Soluble
159 F A 0.0000 Buried
160 Y A 0.0000 Buried
161 P A -1.3968 Soluble
162 R A -2.5386 Soluble
163 E A -3.0113 Soluble
164 A A -2.2084 Soluble
165 K A -2.1843 Soluble
166 V A -0.9996 Soluble
167 Q A -0.3650 Soluble
168 W A 0.0000 Buried
169 K A -0.4586 Soluble
170 V A 0.0000 Buried
171 D A -1.8452 Soluble
172 N A -1.4798 Soluble
173 A A -0.2724 Soluble
174 L A 0.6934 Aggregation-prone
175 Q A -0.0460 Soluble
176 S A -0.3744 Soluble
177 G A -0.8997 Soluble
178 N A -0.8443 Soluble
179 S A -1.1459 Soluble
180 Q A -1.5068 Soluble
181 E A -2.0249 Soluble
182 S A -0.9283 Soluble
183 V A -0.8463 Soluble
184 T A 0.0000 Buried
185 E A -2.2314 Soluble
186 Q A -1.7907 Soluble
187 D A -1.8680 Soluble
188 S A -1.6764 Soluble
189 K A -2.1675 Soluble
190 D A -1.5766 Soluble
191 S A -1.6420 Soluble
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 -0.6778 Soluble
199 L A 0.0000 Buried
200 T A -0.4318 Soluble
201 L A -0.6267 Soluble
202 S A -1.0066 Soluble
203 K A -2.0315 Soluble
204 A A -1.7139 Soluble
205 D A -2.3074 Soluble
206 Y A 0.0000 Buried
207 E A -3.3055 Soluble
208 K A -3.3520 Soluble
209 H A -2.6368 Soluble
210 K A -2.7573 Soluble
211 V A -1.4558 Soluble
212 Y A 0.0000 Buried
213 A A 0.0000 Buried
214 C A 0.0000 Buried
215 E A -0.6042 Soluble
216 V A 0.0000 Buried
217 T A -1.1574 Soluble
218 H A 0.0000 Buried
219 Q A -1.3891 Soluble
220 G A -0.2006 Soluble
221 L A -0.1572 Soluble
222 S A -0.4512 Soluble
223 S A -0.4258 Soluble
224 P A -0.5389 Soluble
225 V A -0.0687 Soluble
226 T A -0.4330 Soluble
227 K A -0.6448 Soluble
228 S A -0.5640 Soluble
229 F A 0.0000 Buried
230 N A -1.6824 Soluble
231 R A -2.0802 Soluble
232 G A -1.9224 Soluble
233 E A -2.4495 Soluble
234 C A -1.2980 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
Load structure at specific pH condition
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 -0.7041 2.1074 CSV PDB
4.5 -0.75 2.1074 CSV PDB
5.0 -0.8052 2.1074 CSV PDB
5.5 -0.858 2.1074 CSV PDB
6.0 -0.8951 2.1074 CSV PDB
6.5 -0.9061 2.1074 CSV PDB
7.0 -0.8897 2.1074 CSV PDB
7.5 -0.8543 2.1074 CSV PDB
8.0 -0.8085 2.1074 CSV PDB
8.5 -0.7559 2.1074 CSV PDB
9.0 -0.6972 2.1074 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH