Ibalizumab / 7t0r

A4DAB138_7t0r_H_L | Source PDB: 7t0r | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7373
Max Score
1.2127
Min Score
-4.1036
Total Score
-322.22
Score CDR
-0.2653
Score non-CDR
-0.8039

Calculation Parameters

Chain Sequence(s) QVQLQQSGPEVVKPGASVKMSCKASGYTFTSYVIHWVRQKPGQGLDWIGYINPYNDGTDYDEKFKGKATLTSDTSTSTAYMELSSLRSEDTAVYYCAREKDNYATGAWFAYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVEDIVMTQSPDSLAVSLGERVTMNCKSSQSLLYSTNQKNYLAWYQQKPGQSPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSVQAEDVAVYYCQQYYSYRTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR 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 -4.1036
Maximum Score 1.2127
Average Score -0.7373
Total Score -322.217

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

Index Residue Chain A4D Score Classification
1 Q H -1.4013 Soluble
2 V H -0.8020 Soluble
3 Q H -1.8611 Soluble
4 L H 0.0000 Buried
5 Q H -2.0785 Soluble
6 Q H 0.0000 Buried
7 S H -1.0285 Soluble
8 G H -1.2190 Soluble
9 P H -1.1979 Soluble
11 E H -1.9032 Soluble
12 V H -0.8800 Soluble
13 V H -1.4601 Soluble
14 K H -2.1287 Soluble
15 P H -1.8104 Soluble
16 G H -1.5450 Soluble
17 A H -1.3242 Soluble
18 S H -1.3601 Soluble
19 V H 0.0000 Buried
20 K H -1.9988 Soluble
21 M H 0.0000 Buried
22 S H -0.6734 Soluble
23 C H 0.0000 Buried
24 K H -1.3996 Soluble
25 A H 0.0000 Buried
26 S H -1.0284 Soluble
27 G H -0.8581 Soluble
28 Y H -0.2551 Soluble
29 T H -0.0562 Soluble
30 F H 0.0000 Buried
35 T H 0.0251 Aggregation-prone
36 S H 0.2551 Aggregation-prone
37 Y H 0.1504 Aggregation-prone
38 V H 0.1612 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 0.0000 Buried
45 K H -1.3763 Soluble
46 P H -1.0416 Soluble
47 G H -1.3161 Soluble
48 Q H -1.9128 Soluble
49 G H -1.2735 Soluble
50 L H 0.0000 Buried
51 D H -1.2889 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 Y H 0.0998 Aggregation-prone
56 I H 0.0000 Buried
57 N H -0.6219 Soluble
58 P H 0.0000 Buried
59 Y H 0.2757 Aggregation-prone
62 N H -1.2970 Soluble
63 D H -1.5842 Soluble
64 G H -1.0075 Soluble
65 T H -0.7463 Soluble
66 D H -0.8729 Soluble
67 Y H -1.3021 Soluble
68 D H -2.4337 Soluble
69 E H -3.7586 Soluble
70 K H -3.3486 Soluble
71 F H 0.0000 Buried
72 K H -3.2868 Soluble
74 G H -2.1035 Soluble
75 K H -1.6728 Soluble
76 A H 0.0000 Buried
77 T H -0.7561 Soluble
78 L H 0.0000 Buried
79 T H -0.6589 Soluble
80 S H -0.8509 Soluble
81 D H -1.2397 Soluble
82 T H -0.7296 Soluble
83 S H -0.5879 Soluble
84 T H -0.6257 Soluble
85 S H -0.6345 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.3153 Soluble
89 M H 0.0000 Buried
90 E H -1.2316 Soluble
91 L H 0.0000 Buried
92 S H -1.1809 Soluble
93 S H -1.3378 Soluble
94 L H 0.0000 Buried
95 R H -2.8008 Soluble
96 S H -2.0072 Soluble
97 E H -2.0699 Soluble
98 D H 0.0000 Buried
99 T H -0.8498 Soluble
100 A H 0.0000 Buried
101 V H 0.0051 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 -1.3042 Soluble
109 D H -1.3347 Soluble
110 N H -0.2789 Soluble
111 Y H 0.9949 Aggregation-prone
111A A H 0.3392 Aggregation-prone
112A T H -0.1730 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 -0.4988 Soluble
117 Y H -0.0909 Soluble
118 W H -0.5271 Soluble
119 G H 0.0000 Buried
120 Q H -1.8800 Soluble
121 G H -0.8946 Soluble
122 T H 0.0000 Buried
123 L H -0.3997 Soluble
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -1.1272 Soluble
128 S H -0.8442 Soluble
129 A H -0.5260 Soluble
130 S H -0.6953 Soluble
131 T H -0.9699 Soluble
132 K H -1.5897 Soluble
133 G H -1.9234 Soluble
134 P H 0.0000 Buried
135 S H -0.4592 Soluble
136 V H 0.0000 Buried
137 F H -0.6200 Soluble
138 P H -1.0375 Soluble
139 L H 0.0000 Buried
140 A H -0.4285 Soluble
141 P H -0.3434 Soluble
142 C H -0.1725 Soluble
143 S H -0.7858 Soluble
144 R H -1.8476 Soluble
145 S H -1.3268 Soluble
146 T H -1.3805 Soluble
147 S H -1.4484 Soluble
148 E H -2.1076 Soluble
149 S H -1.2735 Soluble
150 T H -0.7839 Soluble
151 A H 0.0000 Buried
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 -1.2346 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.8131 Soluble
164 P H -0.8565 Soluble
165 V H -0.5500 Soluble
166 T H -0.6207 Soluble
167 V H -0.5586 Soluble
168 S H -0.5175 Soluble
169 W H 0.0000 Buried
170 N H -0.9183 Soluble
171 S H -0.6955 Soluble
172 G H -0.4338 Soluble
173 A H -0.1977 Soluble
174 L H -0.0576 Soluble
175 T H -0.1543 Soluble
176 S H -0.4041 Soluble
177 G H -0.4693 Soluble
178 V H 0.0995 Aggregation-prone
179 H H -0.1193 Soluble
180 T H 0.0200 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.3390 Soluble
183 A H 0.1675 Aggregation-prone
184 V H 0.3951 Aggregation-prone
185 L H 1.2127 Aggregation-prone
186 Q H 0.0099 Aggregation-prone
187 S H -0.2701 Soluble
188 S H -0.3408 Soluble
189 G H -0.1061 Soluble
190 L H -0.1724 Soluble
191 Y H 0.3685 Aggregation-prone
192 S H -0.0385 Soluble
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 -0.0473 Soluble
199 V H -0.0587 Soluble
200 P H -0.5422 Soluble
201 S H -1.0813 Soluble
202 S H -0.6080 Soluble
203 S H -0.5975 Soluble
204 L H 0.0000 Buried
205 G H -1.2446 Soluble
206 T H -1.0440 Soluble
207 K H -1.4966 Soluble
208 T H -1.4513 Soluble
209 Y H 0.0000 Buried
210 T H 0.0000 Buried
211 C H 0.0000 Buried
212 N H -1.6319 Soluble
213 V H 0.0000 Buried
214 D H -2.1803 Soluble
215 H H 0.0000 Buried
216 K H -2.8818 Soluble
217 P H -2.0023 Soluble
218 S H -2.1046 Soluble
219 N H -2.5241 Soluble
220 T H -2.2231 Soluble
221 K H -2.6099 Soluble
222 V H -1.2724 Soluble
223 D H -2.5486 Soluble
224 K H -2.2192 Soluble
225 R H -2.7201 Soluble
226 V H 0.0000 Buried
227 E H -2.2967 Soluble
1 D L -1.6167 Soluble
2 I L -0.0696 Soluble
3 V L 0.9075 Aggregation-prone
4 M L 0.0000 Buried
5 T L -0.4340 Soluble
6 Q L -1.2639 Soluble
7 S L -1.3487 Soluble
8 P L -1.3208 Soluble
9 D L -2.1431 Soluble
10 S L -1.2659 Soluble
11 L L -0.7090 Soluble
12 A L -0.5847 Soluble
13 V L 0.0000 Buried
14 S L -1.3868 Soluble
15 L L -0.5895 Soluble
16 G L -1.3316 Soluble
17 E L -2.4198 Soluble
18 R L -2.6221 Soluble
19 V L 0.0000 Buried
20 T L -0.5893 Soluble
21 M L 0.0000 Buried
22 N L -1.1249 Soluble
23 C L 0.0000 Buried
24 K L -2.1018 Soluble
25 S L 0.0000 Buried
26 S L -0.7451 Soluble
27 Q L -1.3668 Soluble
28 S L -0.7220 Soluble
29 L L 0.0000 Buried
30 L L 0.2017 Aggregation-prone
31 Y L 0.1366 Aggregation-prone
32 S L -0.4874 Soluble
33 T L -0.7093 Soluble
34 N L -1.3154 Soluble
35 Q L -1.6120 Soluble
36 K L -1.1945 Soluble
37 N L 0.0000 Buried
38 Y L 0.3280 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 -1.2484 Soluble
46 P L -1.2226 Soluble
47 G L -1.3147 Soluble
48 Q L -1.9860 Soluble
49 S L -1.4251 Soluble
50 P L 0.0000 Buried
51 K L -1.5551 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.0167 Soluble
56 W L -0.1178 Soluble
57 A L 0.0000 Buried
65 S L -0.5548 Soluble
66 T L -0.5964 Soluble
67 R L -1.4670 Soluble
68 E L -1.3304 Soluble
69 S L -1.1280 Soluble
70 G L -1.2396 Soluble
71 V L 0.0000 Buried
72 P L -1.4203 Soluble
74 D L -2.1907 Soluble
75 R L -1.5569 Soluble
76 F L 0.0000 Buried
77 S L -0.8630 Soluble
78 G L -0.5267 Soluble
79 S L -0.7205 Soluble
80 G L -1.1261 Soluble
83 S L -0.8578 Soluble
84 G L -0.7194 Soluble
85 T L -1.4070 Soluble
86 D L -2.0694 Soluble
87 F L 0.0000 Buried
88 T L -0.8913 Soluble
89 L L 0.0000 Buried
90 T L -0.6615 Soluble
91 I L 0.0000 Buried
92 S L -1.6234 Soluble
93 S L -1.5319 Soluble
94 V L 0.0000 Buried
95 Q L -1.8752 Soluble
96 A L -2.0803 Soluble
97 E L -2.7336 Soluble
98 D L 0.0000 Buried
99 V L 0.0000 Buried
100 A L 0.0000 Buried
101 V L -0.3302 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 0.8126 Aggregation-prone
114 S L 0.1269 Aggregation-prone
115 Y L 0.2392 Aggregation-prone
116 R L -0.1516 Soluble
117 T L -0.0350 Soluble
118 F L 0.0000 Buried
119 G L -0.3984 Soluble
120 G L -1.2761 Soluble
121 G L -1.1434 Soluble
122 T L 0.0000 Buried
123 K L -1.1970 Soluble
124 L L 0.0000 Buried
125 E L -1.2701 Soluble
126 I L 0.0000 Buried
127 K L -1.7782 Soluble
128 R L -1.1891 Soluble
129 T L -0.2094 Soluble
130 V L 0.0028 Aggregation-prone
131 A L 0.0015 Aggregation-prone
132 A L -0.2148 Soluble
133 P L 0.0000 Buried
134 S L -0.2343 Soluble
135 V L 0.0000 Buried
136 F L 0.0760 Aggregation-prone
137 I L 0.1557 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.5536 Soluble
140 P L 0.0000 Buried
141 S L -1.3237 Soluble
142 D L -2.6948 Soluble
143 E L -2.4773 Soluble
144 Q L 0.0000 Buried
145 L L -2.1054 Soluble
146 K L -2.6665 Soluble
147 S L -1.6429 Soluble
148 G L -1.1033 Soluble
149 T L -0.9332 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 -0.8240 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L 0.0000 Buried
162 R L -3.0945 Soluble
163 E L -3.2997 Soluble
164 A L -2.3651 Soluble
165 K L -2.4821 Soluble
166 V L -1.0931 Soluble
167 Q L -0.6160 Soluble
168 W L 0.0000 Buried
169 K L -0.5816 Soluble
170 V L 0.0000 Buried
171 D L -1.3739 Soluble
172 N L -1.2273 Soluble
173 A L -0.2825 Soluble
174 L L 0.6886 Aggregation-prone
175 Q L -0.4248 Soluble
176 S L -0.7463 Soluble
177 G L -1.3841 Soluble
178 N L -1.8233 Soluble
179 S L -1.5715 Soluble
180 Q L -1.5223 Soluble
181 E L -1.5492 Soluble
182 S L 0.0000 Buried
183 V L -0.4331 Soluble
184 T L -0.8425 Soluble
185 E L -1.8107 Soluble
186 Q L 0.0000 Buried
187 D L -1.8624 Soluble
188 S L -2.2522 Soluble
189 K L -2.6341 Soluble
190 D L -1.8096 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 -0.7572 Soluble
199 L L 0.0000 Buried
200 T L -0.4719 Soluble
201 L L -0.6293 Soluble
202 S L -1.1725 Soluble
203 K L -2.2142 Soluble
204 A L -2.2017 Soluble
205 D L -3.1427 Soluble
206 Y L 0.0000 Buried
207 E L -4.1036 Soluble
208 K L -3.7380 Soluble
209 H L -3.2416 Soluble
210 K L -3.3603 Soluble
211 V L -1.9635 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.9169 Soluble
216 V L 0.0000 Buried
217 T L -1.3053 Soluble
218 H L 0.0000 Buried
219 Q L -1.8988 Soluble
220 G L -0.5732 Soluble
221 L L -0.4097 Soluble
222 S L -0.5161 Soluble
223 S L -0.4324 Soluble
224 P L -0.6161 Soluble
225 V L -0.1075 Soluble
226 T L -0.6164 Soluble
227 K L -0.9087 Soluble
228 S L -0.8669 Soluble
229 F L 0.0000 Buried
230 N L -2.5117 Soluble
231 R L -3.1127 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 -0.7782 1.7013 CSV PDB
4.5 -0.8276 1.6522 CSV PDB
5.0 -0.886 1.5969 CSV PDB
5.5 -0.9425 1.5394 CSV PDB
6.0 -0.9853 1.4812 CSV PDB
6.5 -1.0046 1.4228 CSV PDB
7.0 -0.9992 1.3646 CSV PDB
7.5 -0.9769 1.3499 CSV PDB
8.0 -0.9451 1.4244 CSV PDB
8.5 -0.906 1.4984 CSV PDB
9.0 -0.8592 1.5701 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH