Paridiprubart / 4r7n

A4DAB203_4r7n_I_J | Source PDB: 4r7n | Chains: I, J | Done
96
Yes
10 Å
Yes
Avg A4D Score
-0.6823
Max Score
1.7686
Min Score
-3.967
Total Score
-292.69
Score CDR
-0.1659
Score non-CDR
-0.7428

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSDTLSLTCAVSGYPIRFGYSWHWIRQPPGKGLEWMGYIHYSGYTDFNPSLKTRITISRDTSKNQFSLKLSSVTAVDTAVYYCARKDSGNYFPYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPEIVLTQSPDFQSVTPKEKVTITCRASQSISDHLHWYQQKPDQSPKLLIKYASHAISGVPSRFSGSGSGTDFTLTINSLEAEDAATYYCQQGYDFPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) I (Heavy), J (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 -3.967
Maximum Score 1.7686
Average Score -0.6823
Total Score -292.6932

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

Index Residue Chain A4D Score Classification
1 Q I -1.4354 Soluble
2 V I -0.9889 Soluble
3 Q I -1.7410 Soluble
4 L I 0.0000 Buried
5 Q I -1.6071 Soluble
6 E I 0.0000 Buried
7 S I -0.8215 Soluble
8 G I -0.8184 Soluble
9 P I -0.6334 Soluble
11 G I -0.5417 Soluble
12 L I -0.2925 Soluble
13 V I 0.0000 Buried
14 K I -2.2971 Soluble
15 P I -1.4093 Soluble
16 S I -1.5285 Soluble
17 D I -2.2551 Soluble
18 T I -1.5891 Soluble
19 L I 0.0000 Buried
20 S I -1.0466 Soluble
21 L I 0.0000 Buried
22 T I -0.8319 Soluble
23 C I 0.0000 Buried
24 A I -1.1607 Soluble
25 V I 0.0000 Buried
26 S I -1.2098 Soluble
27 G I -1.0419 Soluble
28 Y I -0.3345 Soluble
29 P I -0.2573 Soluble
30 I I 0.0000 Buried
31 R I -0.9857 Soluble
35 F I 1.1943 Aggregation-prone
36 G I 0.7422 Aggregation-prone
37 Y I 0.6672 Aggregation-prone
38 S I 0.0000 Buried
39 W I 0.0000 Buried
40 H I 0.0000 Buried
41 W I 0.0000 Buried
42 I I 0.0000 Buried
43 R I 0.0000 Buried
44 Q I 0.0000 Buried
45 P I -0.5865 Soluble
46 P I -0.9882 Soluble
47 G I -1.4809 Soluble
48 K I -2.2504 Soluble
49 G I -1.4046 Soluble
50 L I 0.0000 Buried
51 E I -0.7831 Soluble
52 W I 0.0000 Buried
53 M I 0.0000 Buried
54 G I 0.0000 Buried
55 Y I -0.0535 Soluble
56 I I 0.0000 Buried
57 H I 0.2665 Aggregation-prone
58 Y I 0.5177 Aggregation-prone
59 S I 0.2586 Aggregation-prone
63 G I -0.1046 Soluble
64 Y I 0.8618 Aggregation-prone
65 T I -0.1016 Soluble
66 D I -1.1092 Soluble
67 F I -0.7222 Soluble
68 N I -0.7779 Soluble
69 P I -1.0050 Soluble
70 S I -0.6956 Soluble
71 L I 0.0000 Buried
72 K I -1.5564 Soluble
74 T I -0.8735 Soluble
75 R I -1.1301 Soluble
76 I I 0.0000 Buried
77 T I -1.0589 Soluble
78 I I 0.0000 Buried
79 S I -0.7942 Soluble
80 R I -1.5265 Soluble
81 D I -2.0717 Soluble
82 T I -1.6699 Soluble
83 S I -1.7605 Soluble
84 K I -2.3760 Soluble
85 N I -1.9403 Soluble
86 Q I -1.7944 Soluble
87 F I 0.0000 Buried
88 S I -0.9051 Soluble
89 L I 0.0000 Buried
90 K I -1.6928 Soluble
91 L I 0.0000 Buried
92 S I -1.1752 Soluble
93 S I -1.1478 Soluble
94 V I 0.0000 Buried
95 T I -0.0673 Soluble
96 A I 0.6247 Aggregation-prone
97 V I 1.7686 Aggregation-prone
98 D I 0.0000 Buried
99 T I 0.6557 Aggregation-prone
100 A I 0.0000 Buried
101 V I 0.1363 Aggregation-prone
102 Y I 0.0000 Buried
103 Y I 0.0000 Buried
104 C I 0.0000 Buried
105 A I 0.0000 Buried
106 R I 0.0000 Buried
107 K I -0.2254 Soluble
108 D I -0.2101 Soluble
109 S I -0.3861 Soluble
110 G I -0.3302 Soluble
113 N I -0.3509 Soluble
114 Y I -0.1253 Soluble
115 F I 0.0000 Buried
116 P I -0.0485 Soluble
117 Y I -0.0815 Soluble
118 W I -0.5715 Soluble
119 G I 0.0000 Buried
120 Q I -2.0557 Soluble
121 G I -1.1441 Soluble
122 T I -0.3927 Soluble
123 L I 0.1499 Aggregation-prone
124 V I 0.0000 Buried
125 T I 0.0346 Aggregation-prone
126 V I 0.0000 Buried
127 S I -0.6510 Soluble
128 S I -0.8209 Soluble
129 A I -0.6279 Soluble
130 S I -0.7942 Soluble
131 T I -1.0265 Soluble
132 K I -2.0095 Soluble
133 G I -2.0284 Soluble
134 P I 0.0000 Buried
135 S I -0.4039 Soluble
136 V I 0.0000 Buried
137 F I -0.9261 Soluble
138 P I -1.1776 Soluble
139 L I 0.0000 Buried
140 A I -0.5241 Soluble
141 P I -0.7499 Soluble
142 S I -0.7834 Soluble
143 S I -1.1659 Soluble
144 K I -2.1387 Soluble
145 S I -1.5594 Soluble
146 T I -1.0763 Soluble
147 S I -1.2313 Soluble
148 G I -1.1707 Soluble
149 G I -0.9812 Soluble
150 T I -0.7018 Soluble
151 A I 0.0000 Buried
152 A I 0.0000 Buried
153 L I 0.0000 Buried
154 G I 0.0000 Buried
155 C I 0.0000 Buried
156 L I 0.0000 Buried
157 V I 0.0000 Buried
158 K I 0.0000 Buried
159 D I -0.8618 Soluble
160 Y I 0.0000 Buried
161 F I -0.5755 Soluble
162 P I 0.0000 Buried
163 E I -0.4643 Soluble
164 P I -0.5629 Soluble
165 V I -0.3690 Soluble
166 T I -0.5290 Soluble
167 V I -0.2081 Soluble
168 S I -0.4058 Soluble
169 W I 0.0000 Buried
170 N I -0.5567 Soluble
171 S I -0.4670 Soluble
172 G I -0.5073 Soluble
173 A I -0.2120 Soluble
174 L I -0.0173 Soluble
175 T I -0.1753 Soluble
176 S I -0.2276 Soluble
177 G I -0.1740 Soluble
178 V I 0.1571 Aggregation-prone
179 H I -0.2913 Soluble
180 T I 0.0319 Aggregation-prone
181 F I 0.0000 Buried
182 P I -0.2485 Soluble
183 A I 0.2813 Aggregation-prone
184 V I 0.5564 Aggregation-prone
185 L I 1.0926 Aggregation-prone
186 Q I 0.1329 Aggregation-prone
187 S I -0.2235 Soluble
188 S I -0.2916 Soluble
189 G I -0.0130 Soluble
190 L I -0.1583 Soluble
191 Y I 0.3332 Aggregation-prone
192 S I 0.0000 Buried
193 L I 0.0000 Buried
194 S I 0.0000 Buried
195 S I 0.0000 Buried
196 V I 0.0000 Buried
197 V I 0.0000 Buried
198 T I -0.1244 Soluble
199 V I 0.0000 Buried
200 P I -0.5886 Soluble
201 S I 0.0000 Buried
202 S I -0.7891 Soluble
203 S I -0.7312 Soluble
204 L I 0.0000 Buried
205 G I -1.1626 Soluble
206 T I -0.7461 Soluble
207 Q I -1.2275 Soluble
208 T I -1.2200 Soluble
209 Y I 0.0000 Buried
210 I I -1.3591 Soluble
211 C I 0.0000 Buried
212 N I -1.5373 Soluble
213 V I 0.0000 Buried
214 N I -1.6862 Soluble
215 H I 0.0000 Buried
216 K I -2.5661 Soluble
217 P I -1.5799 Soluble
218 S I -1.9356 Soluble
219 N I -2.2909 Soluble
220 T I -2.0652 Soluble
221 K I -2.6184 Soluble
222 V I -1.5105 Soluble
223 D I -2.6483 Soluble
224 K I -2.2763 Soluble
225 R I -2.8151 Soluble
226 V I 0.0000 Buried
227 E I -2.5787 Soluble
228 P I -1.2830 Soluble
1 E J -1.5568 Soluble
2 I J 0.0000 Buried
3 V J 0.8117 Aggregation-prone
4 L J 0.0000 Buried
5 T J -0.8476 Soluble
6 Q J -1.1237 Soluble
7 S J -1.0734 Soluble
8 P J -0.8012 Soluble
9 D J -1.4835 Soluble
10 F J 0.2435 Aggregation-prone
11 Q J -0.2047 Soluble
12 S J -0.2797 Soluble
13 V J -1.2147 Soluble
14 T J -1.7079 Soluble
15 P J -2.2292 Soluble
16 K J -3.3865 Soluble
17 E J -3.8659 Soluble
18 K J -3.4730 Soluble
19 V J 0.0000 Buried
20 T J -0.6828 Soluble
21 I J 0.0000 Buried
22 T J -1.0181 Soluble
23 C J 0.0000 Buried
24 R J -2.1895 Soluble
25 A J 0.0000 Buried
26 S J -0.7029 Soluble
27 Q J -0.9419 Soluble
28 S J -1.0123 Soluble
29 I J 0.0000 Buried
36 S J -0.8855 Soluble
37 D J -1.0941 Soluble
38 H J -0.7207 Soluble
39 L J 0.0000 Buried
40 H J 0.0000 Buried
41 W J 0.0000 Buried
42 Y J 0.0000 Buried
43 Q J 0.0000 Buried
44 Q J 0.0000 Buried
45 K J -1.7213 Soluble
46 P J -1.8169 Soluble
47 D J -2.6444 Soluble
48 Q J -2.2336 Soluble
49 S J -1.3830 Soluble
50 P J 0.0000 Buried
51 K J -1.1705 Soluble
52 L J 0.0000 Buried
53 L J 0.0000 Buried
54 I J 0.0000 Buried
55 K J -0.6823 Soluble
56 Y J -0.4987 Soluble
57 A J 0.0000 Buried
65 S J -0.8199 Soluble
66 H J -0.9757 Soluble
67 A J -0.4220 Soluble
68 I J -0.0474 Soluble
69 S J -0.2702 Soluble
70 G J -0.3951 Soluble
71 V J -0.2221 Soluble
72 P J -0.3322 Soluble
74 S J -0.6439 Soluble
75 R J -1.3649 Soluble
76 F J 0.0000 Buried
77 S J -0.7960 Soluble
78 G J -0.5058 Soluble
79 S J -0.7643 Soluble
80 G J -1.0525 Soluble
83 S J -1.0281 Soluble
84 G J -1.2613 Soluble
85 T J -1.5444 Soluble
86 D J -1.8940 Soluble
87 F J 0.0000 Buried
88 T J -0.7143 Soluble
89 L J 0.0000 Buried
90 T J -0.8772 Soluble
91 I J 0.0000 Buried
92 N J -2.8555 Soluble
93 S J -2.8195 Soluble
94 L J 0.0000 Buried
95 E J -2.0221 Soluble
96 A J -2.0315 Soluble
97 E J -2.1166 Soluble
98 D J 0.0000 Buried
99 A J -1.3009 Soluble
100 A J 0.0000 Buried
101 T J 0.0000 Buried
102 Y J 0.0000 Buried
103 Y J 0.0000 Buried
104 C J 0.0000 Buried
105 Q J 0.0000 Buried
106 Q J 0.0000 Buried
107 G J 0.0000 Buried
108 Y J 0.1315 Aggregation-prone
109 D J -0.8994 Soluble
114 F J -0.1180 Soluble
115 P J -0.4448 Soluble
116 L J 0.0000 Buried
117 T J -0.0884 Soluble
118 F J 0.0000 Buried
119 G J 0.0000 Buried
120 G J -1.1389 Soluble
121 G J -1.1446 Soluble
122 T J 0.0000 Buried
123 K J -1.0603 Soluble
124 V J 0.0000 Buried
125 E J -0.6471 Soluble
126 I J 0.0000 Buried
127 K J -0.8673 Soluble
128 R J -0.6666 Soluble
129 T J 0.1525 Aggregation-prone
130 V J 0.8601 Aggregation-prone
131 A J 0.2722 Aggregation-prone
132 A J -0.0576 Soluble
133 P J 0.0000 Buried
134 S J -0.0723 Soluble
135 V J 0.0000 Buried
136 F J 0.0837 Aggregation-prone
137 I J 0.0614 Aggregation-prone
138 F J 0.0000 Buried
139 P J -0.5968 Soluble
140 P J 0.0000 Buried
141 S J -1.5754 Soluble
142 D J -2.8933 Soluble
143 E J -2.9420 Soluble
144 Q J 0.0000 Buried
145 L J -2.1457 Soluble
146 K J -2.7684 Soluble
147 S J -1.7481 Soluble
148 G J -1.3903 Soluble
149 T J -0.9933 Soluble
150 A J 0.0000 Buried
151 S J 0.0000 Buried
152 V J 0.0000 Buried
153 V J 0.0000 Buried
154 C J 0.0000 Buried
155 L J 0.0000 Buried
156 L J 0.0000 Buried
157 N J 0.0000 Buried
158 N J -0.7592 Soluble
159 F J 0.0000 Buried
160 Y J 0.0000 Buried
161 P J -1.1546 Soluble
162 R J -1.9449 Soluble
163 E J -2.6936 Soluble
164 A J -2.0630 Soluble
165 K J -2.1590 Soluble
166 V J -0.9968 Soluble
167 Q J -0.4524 Soluble
168 W J 0.0000 Buried
169 K J -0.5207 Soluble
170 V J 0.0000 Buried
171 D J -1.9678 Soluble
172 N J -1.5091 Soluble
173 A J -0.2292 Soluble
174 L J 0.8349 Aggregation-prone
175 Q J -0.0157 Soluble
176 S J -0.4642 Soluble
177 G J -0.9290 Soluble
178 N J -0.8576 Soluble
179 S J -1.0754 Soluble
180 Q J -1.4430 Soluble
181 E J -1.3469 Soluble
182 S J -0.4690 Soluble
183 V J -0.2684 Soluble
184 T J -0.8810 Soluble
185 E J -2.2519 Soluble
186 Q J 0.0000 Buried
187 D J -2.0657 Soluble
188 S J -2.2522 Soluble
189 K J -2.6168 Soluble
190 D J -1.9242 Soluble
191 S J 0.0000 Buried
192 T J 0.0000 Buried
193 Y J 0.0000 Buried
194 S J 0.0000 Buried
195 L J 0.0000 Buried
196 S J 0.0000 Buried
197 S J 0.0000 Buried
198 T J -0.6380 Soluble
199 L J 0.0000 Buried
200 T J -0.2843 Soluble
201 L J -0.5997 Soluble
202 S J -1.0541 Soluble
203 K J -2.1136 Soluble
204 A J -1.8257 Soluble
205 D J -2.7046 Soluble
206 Y J 0.0000 Buried
207 E J -3.9670 Soluble
208 K J -3.7469 Soluble
209 H J -3.4521 Soluble
210 K J -3.6101 Soluble
211 V J -1.8436 Soluble
212 Y J 0.0000 Buried
213 A J 0.0000 Buried
214 C J 0.0000 Buried
215 E J -0.8779 Soluble
216 V J 0.0000 Buried
217 T J -1.1151 Soluble
218 H J 0.0000 Buried
219 Q J -1.3010 Soluble
220 G J -0.3750 Soluble
221 L J -0.2158 Soluble
222 S J -0.4545 Soluble
223 S J -0.3866 Soluble
224 P J -0.4743 Soluble
225 V J 0.0040 Aggregation-prone
226 T J -0.4838 Soluble
227 K J -0.8007 Soluble
228 S J -0.6400 Soluble
229 F J -1.0588 Soluble
230 N J -2.4287 Soluble
231 R J -3.0848 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 -0.7085 2.7184 CSV PDB
4.5 -0.7532 2.6338 CSV PDB
5.0 -0.8049 2.6407 CSV PDB
5.5 -0.8523 2.6488 CSV PDB
6.0 -0.883 2.6547 CSV PDB
6.5 -0.8887 2.6575 CSV PDB
7.0 -0.8714 2.6586 CSV PDB
7.5 -0.8402 2.659 CSV PDB
8.0 -0.8014 2.659 CSV PDB
8.5 -0.7567 2.6587 CSV PDB
9.0 -0.7052 2.6579 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH