Palivizumab / 2hwz

A4DAB199_2hwz_H_L | Source PDB: 2hwz | Chains: H, L | Done
99.12
Yes
10 Å
Yes
Avg A4D Score
-0.6878
Max Score
1.2678
Min Score
-3.3995
Total Score
-300.55
Score CDR
-0.4222
Score non-CDR
-0.719

Calculation Parameters

Chain Sequence(s) QVTLRESGPALVKPTQTLTLTCTFSGFSLSTSGMSVGWIRQPPGKALEWLADIWWDDKKDYNPSLKSRLTISKDTSANQVVLKVTNMDPADTATYYCARSMITNWYFDVWGAGTTVTVSSASTKGPSVFPLAPSSAAAAGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHMTQSPSTLSASVGDRVTITCKCQLSVGYMHWYQQKPGKAPKLLIYDTSKLASGVPSRFSGSGSGTAFTLTISSLQPDDFATYYCFQGSGYPFTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.3995
Maximum Score 1.2678
Average Score -0.6878
Total Score -300.5496

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

Index Residue Chain A4D Score Classification
1 Q H -1.2136 Soluble
2 V H -0.4630 Soluble
3 T H -0.6006 Soluble
4 L H 0.0000 Buried
5 R H -1.7612 Soluble
6 E H 0.0000 Buried
7 S H -0.5652 Soluble
8 G H -0.2615 Soluble
9 P H -0.3708 Soluble
11 A H -0.3955 Soluble
12 L H -0.2873 Soluble
13 V H 0.0000 Buried
14 K H -2.1524 Soluble
15 P H -1.9191 Soluble
16 T H -1.9327 Soluble
17 Q H -2.1499 Soluble
18 T H -1.6279 Soluble
19 L H 0.0000 Buried
20 T H -0.6330 Soluble
21 L H 0.0000 Buried
22 T H -0.5528 Soluble
23 C H 0.0000 Buried
24 T H -1.0048 Soluble
25 F H 0.0000 Buried
26 S H -0.7658 Soluble
27 G H -0.7517 Soluble
28 F H -0.2541 Soluble
29 S H -0.2284 Soluble
30 L H 0.0000 Buried
31 S H -0.6412 Soluble
34 T H -0.2173 Soluble
35 S H -0.2735 Soluble
36 G H -0.1234 Soluble
37 M H 0.1599 Aggregation-prone
38 S H 0.0000 Buried
39 V H 0.0000 Buried
40 G H 0.0000 Buried
41 W H 0.0000 Buried
42 I H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.9657 Soluble
45 P H -0.9904 Soluble
46 P H -1.1166 Soluble
47 G H -1.5086 Soluble
48 K H -2.1956 Soluble
49 A H -1.2809 Soluble
50 L H 0.0000 Buried
51 E H -0.8179 Soluble
52 W H 0.0000 Buried
53 L H 0.0000 Buried
54 A H 0.0000 Buried
55 D H 0.0000 Buried
56 I H 0.0000 Buried
57 W H -1.2192 Soluble
58 W H -0.9846 Soluble
59 D H -2.0149 Soluble
63 D H -2.8414 Soluble
64 K H -2.9141 Soluble
65 K H -2.1221 Soluble
66 D H -1.4018 Soluble
67 Y H -0.9682 Soluble
68 N H -0.8209 Soluble
69 P H -0.9613 Soluble
70 S H -0.9147 Soluble
71 L H 0.0000 Buried
72 K H -2.1043 Soluble
74 S H -1.2877 Soluble
75 R H -1.5127 Soluble
76 L H 0.0000 Buried
77 T H -0.9387 Soluble
78 I H 0.0000 Buried
79 S H -1.2019 Soluble
80 K H -1.3103 Soluble
81 D H -1.7409 Soluble
82 T H -1.0288 Soluble
83 S H -0.8394 Soluble
84 A H -0.7977 Soluble
85 N H -1.0346 Soluble
86 Q H -1.1875 Soluble
87 V H 0.0000 Buried
88 V H -0.4263 Soluble
89 L H 0.0000 Buried
90 K H -1.2823 Soluble
91 V H 0.0000 Buried
92 T H -1.5660 Soluble
93 N H -2.3939 Soluble
94 M H 0.0000 Buried
95 D H -2.2507 Soluble
96 P H -1.1590 Soluble
97 A H -0.5609 Soluble
98 D H 0.0000 Buried
99 T H -0.3892 Soluble
100 A H 0.0000 Buried
101 T H -0.2135 Soluble
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 S H 0.0000 Buried
108 M H 0.1597 Aggregation-prone
109 I H 0.2294 Aggregation-prone
110 T H -0.4451 Soluble
112 N H -0.9519 Soluble
113 W H -0.4991 Soluble
114 Y H -0.0381 Soluble
115 F H 0.0000 Buried
116 D H -0.3987 Soluble
117 V H 0.1058 Aggregation-prone
118 W H -0.2134 Soluble
119 G H 0.0000 Buried
120 A H -0.7739 Soluble
121 G H -0.7770 Soluble
122 T H -0.3984 Soluble
123 T H -0.2222 Soluble
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -0.8607 Soluble
128 S H -0.7113 Soluble
129 A H -0.5196 Soluble
130 S H -0.7018 Soluble
131 T H -0.7941 Soluble
132 K H -1.5425 Soluble
133 G H -1.6010 Soluble
134 P H 0.0000 Buried
135 S H -0.5312 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1936 Soluble
139 L H 0.0000 Buried
140 A H -0.9846 Soluble
141 P H 0.0000 Buried
142 S H -0.5499 Soluble
143 S H -0.6148 Soluble
144 A H -0.5803 Soluble
145 A H -0.1961 Soluble
146 A H -0.3538 Soluble
147 A H -0.3614 Soluble
148 G H -0.7471 Soluble
149 G H -0.8160 Soluble
150 T H -0.5542 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 -0.5360 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.4200 Soluble
164 P H -0.7481 Soluble
165 V H -0.8616 Soluble
166 T H -0.7683 Soluble
167 V H -0.4506 Soluble
168 S H -0.4200 Soluble
169 W H 0.0000 Buried
170 N H -0.7041 Soluble
171 S H -0.5892 Soluble
172 G H -0.5009 Soluble
173 A H -0.2517 Soluble
174 L H -0.0150 Soluble
175 T H -0.1898 Soluble
176 S H -0.1954 Soluble
177 G H -0.2520 Soluble
178 V H 0.1394 Aggregation-prone
179 H H -0.3621 Soluble
180 T H 0.0193 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.2076 Soluble
183 A H 0.2743 Aggregation-prone
184 V H 0.4583 Aggregation-prone
185 L H 0.7581 Aggregation-prone
186 Q H 0.0673 Aggregation-prone
187 S H -0.1602 Soluble
188 S H -0.2885 Soluble
189 G H -0.0615 Soluble
190 L H -0.0211 Soluble
191 Y H 0.2894 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 -0.1248 Soluble
199 V H 0.0000 Buried
200 P H -0.6305 Soluble
201 S H 0.0000 Buried
202 S H -0.6244 Soluble
203 S H 0.0000 Buried
204 L H 0.0000 Buried
205 G H -1.1264 Soluble
206 T H -0.8378 Soluble
207 Q H -1.1018 Soluble
208 T H -0.9966 Soluble
209 Y H 0.0000 Buried
210 I H -1.0314 Soluble
211 C H 0.0000 Buried
212 N H -1.4421 Soluble
213 V H 0.0000 Buried
214 N H -2.4760 Soluble
215 H H 0.0000 Buried
216 K H -2.8900 Soluble
217 P H -1.6721 Soluble
218 S H -1.9486 Soluble
219 N H -2.7244 Soluble
220 T H -2.2798 Soluble
221 K H -2.8318 Soluble
222 V H -1.5326 Soluble
223 D H -2.1031 Soluble
224 K H -1.8989 Soluble
225 R H -2.3013 Soluble
226 V H 0.0000 Buried
227 E H -2.0215 Soluble
228 P H -1.4595 Soluble
229 K H -2.3604 Soluble
230 S H -1.5342 Soluble
231 C H -1.9188 Soluble
232 D H -3.1168 Soluble
233 K H -3.0657 Soluble
234 T H -1.7236 Soluble
235 H H -1.7509 Soluble
4 M L -0.4161 Soluble
5 T L -0.8641 Soluble
6 Q L 0.0000 Buried
7 S L -0.6620 Soluble
8 P L -0.4170 Soluble
9 S L -0.6026 Soluble
10 T L -0.4505 Soluble
11 L L -0.1369 Soluble
12 S L -0.3467 Soluble
13 A L -0.7514 Soluble
14 S L -0.7525 Soluble
15 V L -0.0696 Soluble
16 G L -0.8588 Soluble
17 D L -1.7842 Soluble
18 R L -2.4072 Soluble
19 V L 0.0000 Buried
20 T L -0.6479 Soluble
21 I L 0.0000 Buried
22 T L -0.5754 Soluble
23 C L 0.0000 Buried
24 K L -1.8131 Soluble
25 C L 0.0000 Buried
26 Q L -1.1044 Soluble
27 L L 0.1797 Aggregation-prone
28 S L -0.3918 Soluble
29 V L 0.0000 Buried
37 G L -0.6424 Soluble
38 Y L -0.6429 Soluble
39 M L 0.0000 Buried
40 H 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 -1.5366 Soluble
46 P L -1.4516 Soluble
47 G L -1.6716 Soluble
48 K L -2.1392 Soluble
49 A L -1.1292 Soluble
50 P L 0.0000 Buried
51 K L -1.1868 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -1.0431 Soluble
56 D L -2.0605 Soluble
57 T L -1.2422 Soluble
65 S L -1.2375 Soluble
66 K L -1.5079 Soluble
67 L L -0.5030 Soluble
68 A L -0.6238 Soluble
69 S L -0.5144 Soluble
70 G L -0.5322 Soluble
71 V L 0.0000 Buried
72 P L -0.4056 Soluble
74 S L -0.4290 Soluble
75 R L -0.7969 Soluble
76 F L 0.0000 Buried
77 S L -0.5404 Soluble
78 G L -0.7357 Soluble
79 S L -0.8098 Soluble
80 G L -0.7063 Soluble
83 S L -0.7034 Soluble
84 G L -0.6684 Soluble
85 T L -0.8386 Soluble
86 A L -0.9599 Soluble
87 F L 0.0000 Buried
88 T L -0.5024 Soluble
89 L L 0.0000 Buried
90 T L -0.6171 Soluble
91 I L 0.0000 Buried
92 S L -1.4094 Soluble
93 S L -1.2853 Soluble
94 L L 0.0000 Buried
95 Q L -1.3243 Soluble
96 P L -1.7962 Soluble
97 D L -2.2269 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.6345 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 F L 0.0000 Buried
106 Q L 0.0000 Buried
107 G L 0.0000 Buried
108 S L -0.1284 Soluble
109 G L 0.5228 Aggregation-prone
114 Y L 1.2678 Aggregation-prone
115 P L 0.7082 Aggregation-prone
116 F L 0.4130 Aggregation-prone
117 T L 0.0960 Aggregation-prone
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 G L -0.9781 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.1504 Soluble
124 L L 0.0000 Buried
125 E L -1.0289 Soluble
126 I L 0.0000 Buried
127 K L -1.0335 Soluble
128 R L -0.7540 Soluble
129 T L -0.1133 Soluble
130 V L 0.2392 Aggregation-prone
131 A L -0.1152 Soluble
132 A L -0.2060 Soluble
133 P L 0.0000 Buried
134 S L -0.1889 Soluble
135 V L 0.0000 Buried
136 F L 0.0490 Aggregation-prone
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.5461 Soluble
140 P L -0.8873 Soluble
141 S L -1.9291 Soluble
142 D L -3.2118 Soluble
143 E L -3.1312 Soluble
144 Q L 0.0000 Buried
145 L L -2.3659 Soluble
146 K L -2.9528 Soluble
147 S L -1.8267 Soluble
148 G L -1.3757 Soluble
149 T L -1.1232 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 -1.1169 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.5948 Soluble
162 R L -2.5781 Soluble
163 E L -2.9804 Soluble
164 A L -2.1504 Soluble
165 K L -2.2295 Soluble
166 V L 0.0000 Buried
167 Q L -0.8462 Soluble
168 W L 0.0000 Buried
169 K L -0.7681 Soluble
170 V L 0.0000 Buried
171 D L -1.8237 Soluble
172 N L -1.5276 Soluble
173 A L -0.3116 Soluble
174 L L 0.6602 Aggregation-prone
175 Q L -0.1572 Soluble
176 S L -0.4240 Soluble
177 G L -0.8826 Soluble
178 N L -0.7717 Soluble
179 S L -1.0205 Soluble
180 Q L -1.1735 Soluble
181 E L -1.2620 Soluble
182 S L -0.5276 Soluble
183 V L -0.2748 Soluble
184 T L -0.8690 Soluble
185 E L -1.8702 Soluble
186 Q L 0.0000 Buried
187 D L -2.2670 Soluble
188 S L -2.3641 Soluble
189 K L -2.7911 Soluble
190 D L -2.2089 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 -0.5564 Soluble
199 L L 0.0000 Buried
200 T L -0.4288 Soluble
201 L L -0.6641 Soluble
202 S L -1.2755 Soluble
203 K L -2.2358 Soluble
204 A L -1.8629 Soluble
205 D L -2.4404 Soluble
206 Y L 0.0000 Buried
207 E L -3.2939 Soluble
208 K L -3.3995 Soluble
209 H L -2.5709 Soluble
210 K L -2.6888 Soluble
211 V L -1.5106 Soluble
212 Y L 0.0000 Buried
213 A L -0.9445 Soluble
214 C L 0.0000 Buried
215 E L -0.9863 Soluble
216 V L 0.0000 Buried
217 T L -1.1439 Soluble
218 H L 0.0000 Buried
219 Q L -1.7184 Soluble
220 G L -0.5053 Soluble
221 L L -0.2863 Soluble
222 S L -0.4640 Soluble
223 S L -0.3957 Soluble
224 P L -0.4670 Soluble
225 V L 0.0159 Aggregation-prone
226 T L -0.5052 Soluble
227 K L -0.7190 Soluble
228 S L -0.7084 Soluble
229 F L 0.0000 Buried
230 N L -1.8611 Soluble
231 R L -2.1973 Soluble
232 G L -2.3405 Soluble
233 E L -2.6419 Soluble
234 C L -1.7315 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 -0.6974 2.7041 CSV PDB
4.5 -0.7394 2.7041 CSV PDB
5.0 -0.7859 2.7041 CSV PDB
5.5 -0.8274 2.7041 CSV PDB
6.0 -0.8527 2.7041 CSV PDB
6.5 -0.8539 2.704 CSV PDB
7.0 -0.8325 2.704 CSV PDB
7.5 -0.7972 2.7039 CSV PDB
8.0 -0.7544 2.7037 CSV PDB
8.5 -0.7051 2.7029 CSV PDB
9.0 -0.6479 2.7005 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH