Abciximab / 6v4p

A4DAB002_6v4p_C_D | Source PDB: 6v4p | Chains: C, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7092
Max Score
1.4422
Min Score
-3.5044
Total Score
-308.5
Score CDR
-0.5282
Score non-CDR
-0.7301

Calculation Parameters

Chain Sequence(s) EVQLQQSGTVLARPGASVKMSCEASGYTFTNYWMHWVKQRPGQGLEWIGAIYPGNSDTSYIQKFKGKAKLTAVTSTTSVYMELSSLTNEDSAVYYCTLYDGYYVFAYWGQGTLVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCEIVLTQSPVTLSVTPGDSVSLSCRASRDISNNLHWFQQTSHESPRLLIKYASQSMSGIPSRFSGSGSGTDFTLSINSVETEDFGMYFCQQTNSWPYTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) C (Heavy), D (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 -3.5044
Maximum Score 1.4422
Average Score -0.7092
Total Score -308.4952

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

Index Residue Chain A4D Score Classification
1 E C -2.1694 Soluble
2 V C -1.5375 Soluble
3 Q C -2.2917 Soluble
4 L C 0.0000 Buried
5 Q C -2.2981 Soluble
6 Q C 0.0000 Buried
7 S C -0.9277 Soluble
8 G C -0.3548 Soluble
9 T C 0.5316 Aggregation-prone
11 V C 0.7321 Aggregation-prone
12 L C 0.8458 Aggregation-prone
13 A C -0.5842 Soluble
14 R C -2.0294 Soluble
15 P C -1.7542 Soluble
16 G C -1.2326 Soluble
17 A C -0.9702 Soluble
18 S C -1.1716 Soluble
19 V C 0.0000 Buried
20 K C -1.9365 Soluble
21 M C 0.0000 Buried
22 S C -0.9467 Soluble
23 C C 0.0000 Buried
24 E C -2.3527 Soluble
25 A C 0.0000 Buried
26 S C -1.6583 Soluble
27 G C -1.3813 Soluble
28 Y C -0.6927 Soluble
29 T C -0.3661 Soluble
30 F C 0.0000 Buried
35 T C -0.6987 Soluble
36 N C -1.1529 Soluble
37 Y C 0.0031 Aggregation-prone
38 W C 0.1216 Aggregation-prone
39 M C 0.0000 Buried
40 H C 0.0000 Buried
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 K C 0.0000 Buried
44 Q C -0.7977 Soluble
45 R C -1.3429 Soluble
46 P C -0.8944 Soluble
47 G C -1.2316 Soluble
48 Q C -1.7290 Soluble
49 G C -1.2027 Soluble
50 L C 0.0000 Buried
51 E C -1.2212 Soluble
52 W C 0.0000 Buried
53 I C 0.0000 Buried
54 G C 0.0000 Buried
55 A C 0.0000 Buried
56 I C 0.0000 Buried
57 Y C -0.8615 Soluble
58 P C 0.0000 Buried
59 G C -1.3514 Soluble
62 N C -2.1827 Soluble
63 S C -1.5509 Soluble
64 D C -2.2538 Soluble
65 T C -1.1591 Soluble
66 S C -0.7559 Soluble
67 Y C -1.0787 Soluble
68 I C -1.5507 Soluble
69 Q C -2.5576 Soluble
70 K C -2.8442 Soluble
71 F C 0.0000 Buried
72 K C -3.0033 Soluble
74 G C -2.0912 Soluble
75 K C -1.8557 Soluble
76 A C 0.0000 Buried
77 K C -1.9361 Soluble
78 L C 0.0000 Buried
79 T C -0.5344 Soluble
80 A C -0.2007 Soluble
81 V C 0.4734 Aggregation-prone
82 T C -0.0044 Soluble
83 S C -0.0195 Soluble
84 T C -0.3168 Soluble
85 T C -0.4311 Soluble
86 S C 0.0000 Buried
87 V C 0.0000 Buried
88 Y C -0.5127 Soluble
89 M C 0.0000 Buried
90 E C -1.5998 Soluble
91 L C 0.0000 Buried
92 S C -1.0304 Soluble
93 S C -0.8997 Soluble
94 L C 0.0000 Buried
95 T C -1.8277 Soluble
96 N C -2.5067 Soluble
97 E C -2.5415 Soluble
98 D C 0.0000 Buried
99 S C -0.7582 Soluble
100 A C 0.0000 Buried
101 V C 0.3270 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 T C 0.0000 Buried
106 L C 0.0000 Buried
107 Y C 0.7267 Aggregation-prone
108 D C 0.5310 Aggregation-prone
109 G C 0.3701 Aggregation-prone
110 Y C 1.4422 Aggregation-prone
113 Y C 1.2616 Aggregation-prone
114 V C 0.0000 Buried
115 F C 0.0000 Buried
116 A C 0.2109 Aggregation-prone
117 Y C -0.3035 Soluble
118 W C -0.6492 Soluble
119 G C 0.0000 Buried
120 Q C -1.6565 Soluble
121 G C 0.0000 Buried
122 T C 0.0000 Buried
123 L C 1.0399 Aggregation-prone
124 V C 0.0000 Buried
125 T C 0.0000 Buried
126 V C 0.0000 Buried
127 S C -0.5587 Soluble
128 A C -0.8619 Soluble
129 A C -0.5859 Soluble
130 S C -0.6894 Soluble
131 T C -1.1097 Soluble
132 K C -1.9041 Soluble
133 G C -1.7213 Soluble
134 P C 0.0000 Buried
135 S C -0.6025 Soluble
136 V C 0.0000 Buried
137 F C 0.0000 Buried
138 P C -1.1554 Soluble
139 L C 0.0000 Buried
140 A C 0.0000 Buried
141 P C 0.0000 Buried
142 S C -1.3894 Soluble
143 S C -1.3976 Soluble
144 K C -2.1321 Soluble
145 S C -1.4131 Soluble
146 T C -1.0273 Soluble
147 S C -0.9203 Soluble
148 G C -1.0465 Soluble
149 G C -0.8491 Soluble
150 T C -0.5752 Soluble
151 A C 0.0000 Buried
152 A C 0.0000 Buried
153 L C 0.0000 Buried
154 G C 0.0000 Buried
155 C C 0.0000 Buried
156 L C 0.0000 Buried
157 V C 0.0000 Buried
158 K C 0.0000 Buried
159 D C -0.5737 Soluble
160 Y C 0.0000 Buried
161 F C 0.0000 Buried
162 P C 0.0000 Buried
163 E C -1.1316 Soluble
164 P C -1.1732 Soluble
165 V C 0.0000 Buried
166 T C -0.8383 Soluble
167 V C -0.4944 Soluble
168 S C -0.4122 Soluble
169 W C 0.0000 Buried
170 N C -0.7617 Soluble
171 S C -0.6725 Soluble
172 G C -0.4881 Soluble
173 A C -0.1561 Soluble
174 L C 0.0909 Aggregation-prone
175 T C -0.1018 Soluble
176 S C -0.1181 Soluble
177 G C -0.0737 Soluble
178 V C 0.3223 Aggregation-prone
179 H C -0.2895 Soluble
180 T C -0.1675 Soluble
181 F C 0.0000 Buried
182 P C -0.4527 Soluble
183 A C 0.1782 Aggregation-prone
184 V C 0.6063 Aggregation-prone
185 L C 1.1370 Aggregation-prone
186 Q C 0.1523 Aggregation-prone
187 S C -0.1947 Soluble
188 S C -0.1875 Soluble
189 G C 0.1034 Aggregation-prone
190 L C -0.1058 Soluble
191 Y C 0.0000 Buried
192 S C 0.0000 Buried
193 L C 0.0000 Buried
194 S C 0.0000 Buried
195 S C 0.0000 Buried
196 V C 0.0000 Buried
197 V C 0.0000 Buried
198 T C -0.1096 Soluble
199 V C 0.0000 Buried
200 P C -0.3841 Soluble
201 S C -0.4709 Soluble
202 S C -0.4798 Soluble
203 S C 0.0000 Buried
204 L C -0.6036 Soluble
205 G C -0.9848 Soluble
206 T C -0.8494 Soluble
207 Q C -1.4628 Soluble
208 T C -1.2158 Soluble
209 Y C 0.0000 Buried
210 I C -0.9862 Soluble
211 C C 0.0000 Buried
212 N C -1.5649 Soluble
213 V C 0.0000 Buried
214 N C -2.0028 Soluble
215 H C 0.0000 Buried
216 K C -2.7212 Soluble
217 P C -1.8641 Soluble
218 S C -1.9023 Soluble
219 N C -2.3495 Soluble
220 T C -2.3086 Soluble
221 K C -2.7141 Soluble
222 V C -1.6594 Soluble
223 D C -2.4587 Soluble
224 K C -1.9308 Soluble
225 K C -2.0279 Soluble
226 V C 0.0000 Buried
227 E C -2.5815 Soluble
228 P C -1.8476 Soluble
229 K C -2.1763 Soluble
230 S C -1.0390 Soluble
231 C C -0.4574 Soluble
1 E D -1.5146 Soluble
2 I D 0.0000 Buried
3 V D 0.4994 Aggregation-prone
4 L D 0.0000 Buried
5 T D -0.4249 Soluble
6 Q D 0.0000 Buried
7 S D -0.0565 Soluble
8 P D 0.4870 Aggregation-prone
9 V D 1.4130 Aggregation-prone
10 T D 0.5245 Aggregation-prone
11 L D 0.1363 Aggregation-prone
12 S D -0.9171 Soluble
13 V D 0.0000 Buried
14 T D -1.7097 Soluble
15 P D -1.9478 Soluble
16 G D -2.0303 Soluble
17 D D -2.5687 Soluble
18 S D -1.7701 Soluble
19 V D 0.0000 Buried
20 S D -0.5209 Soluble
21 L D 0.0000 Buried
22 S D -0.7354 Soluble
23 C D 0.0000 Buried
24 R D -2.6469 Soluble
25 A D 0.0000 Buried
26 S D -1.6852 Soluble
27 R D -3.1719 Soluble
28 D D -3.3921 Soluble
29 I D 0.0000 Buried
36 S D -1.7398 Soluble
37 N D -1.5282 Soluble
38 N D -0.9517 Soluble
39 L D 0.0000 Buried
40 H D 0.0000 Buried
41 W D 0.0000 Buried
42 F D 0.0000 Buried
43 Q D 0.0000 Buried
44 Q D 0.0000 Buried
45 T D -1.2988 Soluble
46 S D -1.2596 Soluble
47 H D -2.0812 Soluble
48 E D -2.7560 Soluble
49 S D 0.0000 Buried
50 P D 0.0000 Buried
51 R D -1.2696 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 K D -0.3376 Soluble
56 Y D -0.4416 Soluble
57 A D 0.0000 Buried
65 S D -0.9354 Soluble
66 Q D -1.0917 Soluble
67 S D -0.7490 Soluble
68 M D -0.4676 Soluble
69 S D -0.4578 Soluble
70 G D -0.4953 Soluble
71 I D -0.3367 Soluble
72 P D -0.3612 Soluble
74 S D -0.6826 Soluble
75 R D -1.2129 Soluble
76 F D 0.0000 Buried
77 S D -0.8262 Soluble
78 G D -0.6698 Soluble
79 S D -0.8241 Soluble
80 G D -1.1750 Soluble
83 S D -1.5428 Soluble
84 G D -2.1588 Soluble
85 T D -2.6256 Soluble
86 D D -2.6155 Soluble
87 F D 0.0000 Buried
88 T D -0.8620 Soluble
89 L D 0.0000 Buried
90 S D -0.7030 Soluble
91 I D 0.0000 Buried
92 N D -2.2616 Soluble
93 S D -2.1156 Soluble
94 V D 0.0000 Buried
95 E D -2.8672 Soluble
96 T D -1.8777 Soluble
97 E D -2.4311 Soluble
98 D D 0.0000 Buried
99 F D 0.0000 Buried
100 G D 0.0000 Buried
101 M D -0.2878 Soluble
102 Y D 0.0000 Buried
103 F D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 Q D 0.0000 Buried
107 T D 0.0000 Buried
108 N D -1.0580 Soluble
109 S D -0.6458 Soluble
114 W D -0.0293 Soluble
115 P D -0.3858 Soluble
116 Y D 0.0000 Buried
117 T D -0.2007 Soluble
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 G D -0.3340 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 K D -0.4844 Soluble
124 L D 0.0000 Buried
125 E D -0.8863 Soluble
126 I D -1.5842 Soluble
127 K D -1.5548 Soluble
128 R D -1.4360 Soluble
129 T D -0.1270 Soluble
130 V D 0.9204 Aggregation-prone
131 A D 0.4556 Aggregation-prone
132 A D 0.0969 Aggregation-prone
133 P D 0.0000 Buried
134 S D -0.3605 Soluble
135 V D 0.0000 Buried
136 F D 0.0000 Buried
137 I D 0.0000 Buried
138 F D 0.0000 Buried
139 P D -0.6641 Soluble
140 P D 0.0000 Buried
141 S D -1.7673 Soluble
142 D D -2.8638 Soluble
143 E D -2.8063 Soluble
144 Q D 0.0000 Buried
145 L D -2.0078 Soluble
146 K D -2.7468 Soluble
147 S D -1.7088 Soluble
148 G D -1.0559 Soluble
149 T D -0.7661 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.0000 Buried
153 V D 0.0000 Buried
154 C D 0.0000 Buried
155 L D 0.0000 Buried
156 L D 0.0000 Buried
157 N D 0.0000 Buried
158 N D -1.1718 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.7334 Soluble
162 R D -3.0192 Soluble
163 E D -3.2743 Soluble
164 A D 0.0000 Buried
165 K D -2.7018 Soluble
166 V D -1.5497 Soluble
167 Q D -0.9906 Soluble
168 W D 0.0000 Buried
169 K D -0.8291 Soluble
170 V D 0.0000 Buried
171 D D -1.7860 Soluble
172 N D -1.4502 Soluble
173 A D -0.3864 Soluble
174 L D 0.5709 Aggregation-prone
175 Q D -0.5953 Soluble
176 S D -0.6797 Soluble
177 G D -1.2622 Soluble
178 N D -1.7468 Soluble
179 S D -1.4267 Soluble
180 Q D -0.8710 Soluble
181 E D -1.2655 Soluble
182 S D -0.5295 Soluble
183 V D -0.8477 Soluble
184 T D -1.4009 Soluble
185 E D -2.3099 Soluble
186 Q D -2.1905 Soluble
187 D D -2.2972 Soluble
188 S D -2.0922 Soluble
189 K D -2.8005 Soluble
190 D D -2.9730 Soluble
191 S D 0.0000 Buried
192 T D 0.0000 Buried
193 Y D 0.0000 Buried
194 S D 0.0000 Buried
195 L D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D 0.0000 Buried
199 L D 0.0000 Buried
200 T D -0.6761 Soluble
201 L D -0.7799 Soluble
202 S D -1.1241 Soluble
203 K D -1.9286 Soluble
204 A D -1.8121 Soluble
205 D D -2.3427 Soluble
206 Y D 0.0000 Buried
207 E D -3.5044 Soluble
208 K D -3.4847 Soluble
209 H D -2.9097 Soluble
210 K D -2.9356 Soluble
211 V D -1.8940 Soluble
212 Y D 0.0000 Buried
213 A D 0.0000 Buried
214 C D 0.0000 Buried
215 E D -0.7946 Soluble
216 V D 0.0000 Buried
217 T D -0.9891 Soluble
218 H D 0.0000 Buried
219 Q D -1.1655 Soluble
220 G D 0.0456 Aggregation-prone
221 L D -0.0438 Soluble
222 S D -0.2835 Soluble
223 S D -0.2218 Soluble
224 P D -0.0519 Soluble
225 V D 0.3939 Aggregation-prone
226 T D -0.1932 Soluble
227 K D -0.6715 Soluble
228 S D -0.6492 Soluble
229 F D -0.6031 Soluble
230 N D -1.5252 Soluble
231 R D -1.3907 Soluble
232 G D -1.5050 Soluble
233 E D -1.2555 Soluble
234 C D -0.2275 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
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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 -0.7473 1.8165 CSV PDB
4.5 -0.7942 1.7908 CSV PDB
5.0 -0.8498 1.7754 CSV PDB
5.5 -0.9021 1.7606 CSV PDB
6.0 -0.9385 1.7473 CSV PDB
6.5 -0.95 1.7364 CSV PDB
7.0 -0.9379 1.7283 CSV PDB
7.5 -0.9109 1.7232 CSV PDB
8.0 -0.8762 1.7214 CSV PDB
8.5 -0.8365 1.7209 CSV PDB
9.0 -0.7911 1.7136 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH