Ibalizumab / 3o2d

A4DAB138_3o2d_H_L | Source PDB: 3o2d | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7324
Max Score
1.5242
Min Score
-3.6335
Total Score
-320.78
Score CDR
-0.2692
Score non-CDR
-0.7975

Calculation Parameters

Chain Sequence(s) QVQLQQSGPEVVKPGASVKMSCKASGYTFTSYVIHWVRQKPGQGLDWIGYINPYNDGTDYDEKFKGKATLTSDTSTSTAYMELSSLRSEDTAVYYCAREKDNYATGAWFAYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESDIVMTQSPDSLAVSLGERVTMNCKSSQSLLYSTNQKNYLAWYQQKPGQSPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSVQAEDVAVYYCQQYYSYRTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR 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 -3.6335
Maximum Score 1.5242
Average Score -0.7324
Total Score -320.7848

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

Index Residue Chain A4D Score Classification
1 Q H -1.5660 Soluble
2 V H 0.0000 Buried
3 Q H -1.7394 Soluble
4 L H 0.0000 Buried
5 Q H -1.7903 Soluble
6 Q H 0.0000 Buried
7 S H -0.9739 Soluble
8 G H -1.0772 Soluble
9 P H -1.0535 Soluble
11 E H -1.7590 Soluble
12 V H 0.0000 Buried
13 V H 0.0000 Buried
14 K H -2.3738 Soluble
15 P H -2.2615 Soluble
16 G H -1.5847 Soluble
17 A H -1.2162 Soluble
18 S H -1.4209 Soluble
19 V H 0.0000 Buried
20 K H -2.1899 Soluble
21 M H 0.0000 Buried
22 S H -0.8213 Soluble
23 C H 0.0000 Buried
24 K H -1.6309 Soluble
25 A H 0.0000 Buried
26 S H -1.1844 Soluble
27 G H -1.0688 Soluble
28 Y H -0.4129 Soluble
29 T H -0.0933 Soluble
30 F H 0.0000 Buried
35 T H 0.0572 Aggregation-prone
36 S H 0.2632 Aggregation-prone
37 Y H 0.1632 Aggregation-prone
38 V H 0.0863 Aggregation-prone
39 I H 0.0000 Buried
40 H H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.9797 Soluble
45 K H -1.6317 Soluble
46 P H -1.0999 Soluble
47 G H -1.3817 Soluble
48 Q H -1.9676 Soluble
49 G H -1.2993 Soluble
50 L H 0.0000 Buried
51 D H -1.3310 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 Y H 0.0093 Aggregation-prone
56 I H 0.0000 Buried
57 N H -0.7143 Soluble
58 P H 0.0000 Buried
59 Y H 0.1559 Aggregation-prone
62 N H -1.3445 Soluble
63 D H -1.5987 Soluble
64 G H -1.1294 Soluble
65 T H -0.7726 Soluble
66 D H -0.6814 Soluble
67 Y H -1.2598 Soluble
68 D H -2.2953 Soluble
69 E H -3.6335 Soluble
70 K H -3.2809 Soluble
71 F H 0.0000 Buried
72 K H -3.1121 Soluble
74 G H -1.9412 Soluble
75 K H -1.7276 Soluble
76 A H 0.0000 Buried
77 T H -0.9134 Soluble
78 L H 0.0000 Buried
79 T H -0.6997 Soluble
80 S H -0.8086 Soluble
81 D H -0.9271 Soluble
82 T H -0.6319 Soluble
83 S H -0.5109 Soluble
84 T H -0.6353 Soluble
85 S H -0.6945 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.5151 Soluble
89 M H 0.0000 Buried
90 E H -1.6132 Soluble
91 L H 0.0000 Buried
92 S H -1.2082 Soluble
93 S H -1.2633 Soluble
94 L H 0.0000 Buried
95 R H -3.1158 Soluble
96 S H -2.4147 Soluble
97 E H -2.7163 Soluble
98 D H -1.8608 Soluble
99 T H -1.1684 Soluble
100 A H 0.0000 Buried
101 V H 0.0200 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 E H 0.0000 Buried
108 K H -1.1502 Soluble
109 D H -0.8863 Soluble
110 N H -0.0755 Soluble
111 Y H 1.0845 Aggregation-prone
111A A H 0.4045 Aggregation-prone
112A T H -0.0517 Soluble
112 G H 0.0000 Buried
113 A H 0.0000 Buried
114 W H 0.0000 Buried
115 F H 0.0000 Buried
116 A H -0.4973 Soluble
117 Y H -0.2639 Soluble
118 W H -0.6154 Soluble
119 G H 0.0000 Buried
120 Q H -1.6975 Soluble
121 G H -0.7978 Soluble
122 T H 0.0000 Buried
123 L H -0.3231 Soluble
124 V H 0.0000 Buried
125 T H -1.1232 Soluble
126 V H 0.0000 Buried
127 S H -1.2006 Soluble
128 S H -1.0211 Soluble
129 A H -0.5544 Soluble
130 S H -0.6372 Soluble
131 T H -0.8483 Soluble
132 K H -1.0649 Soluble
133 G H -1.3410 Soluble
134 P H 0.0000 Buried
135 S H -0.4020 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.2962 Soluble
139 L H 0.0000 Buried
140 A H -0.6389 Soluble
141 P H -0.4702 Soluble
142 C H -0.2145 Soluble
143 S H -0.6825 Soluble
144 R H -2.0187 Soluble
145 S H -1.4064 Soluble
146 T H -1.3399 Soluble
147 S H -1.2271 Soluble
148 E H -2.3173 Soluble
149 S H -1.3392 Soluble
150 T H -0.9032 Soluble
151 A H -0.7950 Soluble
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H 0.0000 Buried
159 D H -0.2334 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.5566 Soluble
164 P H -0.7963 Soluble
165 V H -0.7141 Soluble
166 T H -0.6542 Soluble
167 V H -0.4141 Soluble
168 S H -0.4848 Soluble
169 W H 0.0000 Buried
170 N H -0.8716 Soluble
171 S H -0.6950 Soluble
172 G H -0.4408 Soluble
173 A H -0.1730 Soluble
174 L H -0.0112 Soluble
175 T H -0.1366 Soluble
176 S H -0.1665 Soluble
177 G H -0.1770 Soluble
178 V H 0.1838 Aggregation-prone
179 H H -0.1970 Soluble
180 T H -0.0713 Soluble
181 F H 0.0000 Buried
182 P H -0.1786 Soluble
183 A H 0.3162 Aggregation-prone
184 V H 0.7073 Aggregation-prone
185 L H 1.5242 Aggregation-prone
186 Q H 0.5069 Aggregation-prone
187 S H 0.0118 Aggregation-prone
188 S H -0.1467 Soluble
189 G H 0.1331 Aggregation-prone
190 L H 0.3338 Aggregation-prone
191 Y H 0.6175 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.0993 Soluble
199 V H 0.0000 Buried
200 P H -0.6388 Soluble
201 S H -1.1116 Soluble
202 S H -0.9922 Soluble
203 S H -0.7907 Soluble
204 L H -1.3086 Soluble
205 G H -1.5071 Soluble
206 T H -1.0487 Soluble
207 K H -1.9144 Soluble
208 T H -1.6079 Soluble
209 Y H 0.0000 Buried
210 T H -1.8902 Soluble
211 C H 0.0000 Buried
212 N H -1.6607 Soluble
213 V H 0.0000 Buried
214 D H -2.1648 Soluble
215 H H 0.0000 Buried
216 K H -2.9810 Soluble
217 P H -1.9368 Soluble
218 S H -1.9694 Soluble
219 N H -2.6259 Soluble
220 T H -2.1024 Soluble
221 K H -2.7562 Soluble
222 V H -1.6482 Soluble
223 D H -2.6602 Soluble
224 K H -2.3341 Soluble
225 R H -2.8343 Soluble
226 V H 0.0000 Buried
227 E H -2.8298 Soluble
228 S H -1.4721 Soluble
1 D L -1.5502 Soluble
2 I L 0.0095 Aggregation-prone
3 V L 0.8178 Aggregation-prone
4 M L 0.0000 Buried
5 T L -0.6337 Soluble
6 Q L 0.0000 Buried
7 S L -1.2324 Soluble
8 P L -1.2258 Soluble
9 D L -2.1558 Soluble
10 S L -1.2966 Soluble
11 L L -0.4918 Soluble
12 A L -0.4193 Soluble
13 V L 0.0000 Buried
14 S L -1.3788 Soluble
15 L L -0.8353 Soluble
16 G L -1.4888 Soluble
17 E L -2.8129 Soluble
18 R L -2.8264 Soluble
19 V L 0.0000 Buried
20 T L -0.5441 Soluble
21 M L 0.0000 Buried
22 N L -1.0821 Soluble
23 C L 0.0000 Buried
24 K L -1.9386 Soluble
25 S L 0.0000 Buried
26 S L -0.8335 Soluble
27 Q L -1.3704 Soluble
28 S L -0.7131 Soluble
29 L L 0.0000 Buried
30 L L -0.0352 Soluble
31 Y L -0.0268 Soluble
32 S L -0.6173 Soluble
33 T L -0.7626 Soluble
34 N L -1.4650 Soluble
35 Q L -1.7411 Soluble
36 K L -1.3044 Soluble
37 N L -0.4363 Soluble
38 Y L 0.2257 Aggregation-prone
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 0.0000 Buried
44 Q L 0.0000 Buried
45 K L -1.4249 Soluble
46 P L -1.0493 Soluble
47 G L -1.3837 Soluble
48 Q L -1.9402 Soluble
49 S L -1.3508 Soluble
50 P L 0.0000 Buried
51 K L -1.5200 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.0277 Soluble
56 W L -0.1766 Soluble
57 A L 0.0000 Buried
65 S L -0.5880 Soluble
66 T L -0.5334 Soluble
67 R L -1.3881 Soluble
68 E L -1.3749 Soluble
69 S L -0.8377 Soluble
70 G L -0.9971 Soluble
71 V L -1.0214 Soluble
72 P L -1.3856 Soluble
74 D L -2.2651 Soluble
75 R L -1.5589 Soluble
76 F L 0.0000 Buried
77 S L -0.8673 Soluble
78 G L 0.0000 Buried
79 S L -0.6680 Soluble
80 G L -1.1153 Soluble
83 S L -1.0458 Soluble
84 G L -0.9466 Soluble
85 T L -1.4603 Soluble
86 D L -2.0504 Soluble
87 F L 0.0000 Buried
88 T L -0.7650 Soluble
89 L L 0.0000 Buried
90 T L -0.5994 Soluble
91 I L 0.0000 Buried
92 S L -1.6763 Soluble
93 S L -1.7436 Soluble
94 V L 0.0000 Buried
95 Q L -1.5574 Soluble
96 A L -1.9796 Soluble
97 E L -2.6226 Soluble
98 D L 0.0000 Buried
99 V L 0.0000 Buried
100 A L 0.0000 Buried
101 V L -0.5648 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 0.8155 Aggregation-prone
114 S L 0.3994 Aggregation-prone
115 Y L 0.8011 Aggregation-prone
116 R L 0.2723 Aggregation-prone
117 T L 0.0323 Aggregation-prone
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 G L -1.0517 Soluble
121 G L -1.1139 Soluble
122 T L 0.0000 Buried
123 K L -1.3089 Soluble
124 L L 0.0000 Buried
125 E L -1.1137 Soluble
126 I L 0.0000 Buried
127 K L -1.4571 Soluble
128 R L -0.9204 Soluble
129 T L -0.0815 Soluble
130 V L 0.2244 Aggregation-prone
131 A L -0.1049 Soluble
132 A L -0.1408 Soluble
133 P L 0.0000 Buried
134 S L -0.1646 Soluble
135 V L 0.0000 Buried
136 F L 0.0840 Aggregation-prone
137 I L 0.1862 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.5003 Soluble
140 P L 0.0000 Buried
141 S L -1.6376 Soluble
142 D L -3.0984 Soluble
143 E L -3.2406 Soluble
144 Q L 0.0000 Buried
145 L L -2.3396 Soluble
146 K L -2.9469 Soluble
147 S L -1.8379 Soluble
148 G L -1.5026 Soluble
149 T L -0.9899 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 -0.8726 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.6979 Soluble
162 R L -2.7090 Soluble
163 E L -3.0932 Soluble
164 A L -2.0875 Soluble
165 K L -2.0277 Soluble
166 V L -0.9103 Soluble
167 Q L -0.5477 Soluble
168 W L 0.0000 Buried
169 K L -0.6030 Soluble
170 V L 0.0000 Buried
171 D L -2.0646 Soluble
172 N L -1.5701 Soluble
173 A L -0.2817 Soluble
174 L L 0.6568 Aggregation-prone
175 Q L -0.1321 Soluble
176 S L -0.4011 Soluble
177 G L -0.8597 Soluble
178 N L -0.7857 Soluble
179 S L -0.9508 Soluble
180 Q L -0.9512 Soluble
181 E L -1.5786 Soluble
182 S L -0.7544 Soluble
183 V L -0.5192 Soluble
184 T L -0.6170 Soluble
185 E L -1.0895 Soluble
186 Q L 0.0000 Buried
187 D L -1.7938 Soluble
188 S L -2.2788 Soluble
189 K L -2.6639 Soluble
190 D L -1.8642 Soluble
191 S L 0.0000 Buried
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 -0.5431 Soluble
199 L L 0.0000 Buried
200 T L -0.2743 Soluble
201 L L -0.5513 Soluble
202 S L -0.8709 Soluble
203 K L -1.8085 Soluble
204 A L -1.5915 Soluble
205 D L -1.9716 Soluble
206 Y L 0.0000 Buried
207 E L -3.4274 Soluble
208 K L -3.5189 Soluble
209 H L -3.2388 Soluble
210 K L -3.5244 Soluble
211 V L -1.8116 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.9028 Soluble
216 V L 0.0000 Buried
217 T L -1.0928 Soluble
218 H L 0.0000 Buried
219 Q L -1.6921 Soluble
220 G L -0.4253 Soluble
221 L L -0.2550 Soluble
222 S L -0.4573 Soluble
223 S L -0.4556 Soluble
224 P L -0.5578 Soluble
225 V L -0.1066 Soluble
226 T L -0.5176 Soluble
227 K L -0.7051 Soluble
228 S L -0.7492 Soluble
229 F L 0.0000 Buried
230 N L -2.5084 Soluble
231 R L -3.0679 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
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 -0.7933 1.8544 CSV PDB
4.5 -0.8435 1.8353 CSV PDB
5.0 -0.9035 1.8132 CSV PDB
5.5 -0.9621 1.7905 CSV PDB
6.0 -1.0068 1.769 CSV PDB
6.5 -1.0269 1.7504 CSV PDB
7.0 -1.0208 1.7353 CSV PDB
7.5 -0.9965 1.7227 CSV PDB
8.0 -0.962 1.7121 CSV PDB
8.5 -0.9202 1.704 CSV PDB
9.0 -0.8713 1.6991 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH