Paridiprubart / 4r7d

A4DAB203_4r7d_I_J | Source PDB: 4r7d | Chains: I, J | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.718
Max Score
1.754
Min Score
-3.9089
Total Score
-308.73
Score CDR
-0.2457
Score non-CDR
-0.7732

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSDTLSLTCAVSGYSITGGYSWHWIRQPPGKGLEWMGYIHYSGYTDFNPSLKTRITISRDTSKNQFSLKLSSVTAVDTAVYYCARKDPSDAFPYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPEIVLTQSPDFQSVTPKEKVTITCRASQSISDHLHWYQQKPDQSPKLLIKYASHAISGVPSRFSGSGSGTDFTLTINSLEAEDAATYYCQQGHSFPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.9089
Maximum Score 1.754
Average Score -0.718
Total Score -308.7263

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

Index Residue Chain A4D Score Classification
1 Q I -1.3859 Soluble
2 V I -0.9563 Soluble
3 Q I -1.7749 Soluble
4 L I 0.0000 Buried
5 Q I -1.9625 Soluble
6 E I -1.2373 Soluble
7 S I -0.9135 Soluble
8 G I -0.5089 Soluble
9 P I -0.5090 Soluble
11 G I -0.3748 Soluble
12 L I -0.2632 Soluble
13 V I -0.8518 Soluble
14 K I -1.8577 Soluble
15 P I -1.2664 Soluble
16 S I -1.1267 Soluble
17 D I -1.3791 Soluble
18 T I -1.1766 Soluble
19 L I 0.0000 Buried
20 S I -0.9016 Soluble
21 L I 0.0000 Buried
22 T I -0.7819 Soluble
23 C I 0.0000 Buried
24 A I -1.2605 Soluble
25 V I 0.0000 Buried
26 S I -1.0909 Soluble
27 G I -0.7556 Soluble
28 Y I -0.1014 Soluble
29 S I -0.2596 Soluble
30 I I 0.0000 Buried
31 T I 0.0193 Aggregation-prone
35 G I -0.1510 Soluble
36 G I 0.0000 Buried
37 Y I 0.2478 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 -0.7392 Soluble
45 P I -0.5721 Soluble
46 P I -0.7581 Soluble
47 G I -1.4596 Soluble
48 K I -2.2434 Soluble
49 G I -1.3737 Soluble
50 L I 0.0000 Buried
51 E I -0.7339 Soluble
52 W I 0.0000 Buried
53 M I 0.0000 Buried
54 G I 0.0000 Buried
55 Y I 0.0000 Buried
56 I I 0.0000 Buried
57 H I 0.3256 Aggregation-prone
58 Y I 0.6108 Aggregation-prone
59 S I 0.3489 Aggregation-prone
63 G I 0.3904 Aggregation-prone
64 Y I 1.1066 Aggregation-prone
65 T I 0.4035 Aggregation-prone
66 D I -0.1311 Soluble
67 F I -0.3307 Soluble
68 N I -0.7496 Soluble
69 P I -1.0205 Soluble
70 S I -0.7799 Soluble
71 L I 0.0000 Buried
72 K I -1.6265 Soluble
74 T I -0.9889 Soluble
75 R I -1.1806 Soluble
76 I I 0.0000 Buried
77 T I -0.9422 Soluble
78 I I 0.0000 Buried
79 S I -0.8012 Soluble
80 R I -1.4652 Soluble
81 D I -2.0120 Soluble
82 T I -1.4662 Soluble
83 S I -1.5782 Soluble
84 K I -2.4112 Soluble
85 N I -1.6167 Soluble
86 Q I -1.6935 Soluble
87 F I 0.0000 Buried
88 S I -0.8918 Soluble
89 L I 0.0000 Buried
90 K I -1.6334 Soluble
91 L I 0.0000 Buried
92 S I -0.9864 Soluble
93 S I -1.0124 Soluble
94 V I 0.0000 Buried
95 T I 0.0581 Aggregation-prone
96 A I 0.6470 Aggregation-prone
97 V I 1.7540 Aggregation-prone
98 D I 0.0000 Buried
99 T I 0.6752 Aggregation-prone
100 A I 0.0000 Buried
101 V I -0.0278 Soluble
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 -0.3924 Soluble
108 D I -0.6248 Soluble
109 P I -0.5380 Soluble
110 S I 0.0000 Buried
113 D I -0.6687 Soluble
114 A I 0.0000 Buried
115 F I 0.0000 Buried
116 P I -0.2709 Soluble
117 Y I -0.3297 Soluble
118 W I -0.7235 Soluble
119 G I -1.3768 Soluble
120 Q I -2.0960 Soluble
121 G I -1.2581 Soluble
122 T I -0.4426 Soluble
123 L I 0.0375 Aggregation-prone
124 V I 0.0000 Buried
125 T I 0.0598 Aggregation-prone
126 V I 0.0000 Buried
127 S I -0.6468 Soluble
128 S I -0.8128 Soluble
129 A I -0.5930 Soluble
130 S I -0.7629 Soluble
131 T I -1.1118 Soluble
132 K I -1.9118 Soluble
133 G I -1.8565 Soluble
134 P I -0.7554 Soluble
135 S I -0.3948 Soluble
136 V I 0.0000 Buried
137 F I -0.6332 Soluble
138 P I -1.0952 Soluble
139 L I 0.0000 Buried
140 A I -0.5456 Soluble
141 P I -0.8654 Soluble
142 S I -0.5187 Soluble
143 S I -1.2444 Soluble
144 K I -2.1405 Soluble
145 S I -1.4571 Soluble
146 T I -1.1119 Soluble
147 S I -1.3139 Soluble
148 G I -1.2419 Soluble
149 G I -1.1231 Soluble
150 T I -0.8006 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 -1.0410 Soluble
160 Y I 0.0000 Buried
161 F I 0.0000 Buried
162 P I 0.0000 Buried
163 E I -0.4448 Soluble
164 P I -0.5029 Soluble
165 V I -0.4116 Soluble
166 T I -0.5570 Soluble
167 V I -0.2228 Soluble
168 S I -0.4271 Soluble
169 W I 0.0000 Buried
170 N I -0.8086 Soluble
171 S I -0.6697 Soluble
172 G I -0.5804 Soluble
173 A I -0.2444 Soluble
174 L I -0.0036 Soluble
175 T I -0.1467 Soluble
176 S I -0.1558 Soluble
177 G I -0.1152 Soluble
178 V I 0.2069 Aggregation-prone
179 H I -0.2671 Soluble
180 T I -0.1510 Soluble
181 F I 0.0000 Buried
182 P I -0.2457 Soluble
183 A I 0.4789 Aggregation-prone
184 V I 0.5842 Aggregation-prone
185 L I 1.3072 Aggregation-prone
186 Q I 0.1208 Aggregation-prone
187 S I -0.1197 Soluble
188 S I -0.3576 Soluble
189 G I -0.1127 Soluble
190 L I -0.1251 Soluble
191 Y I 0.3568 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 -0.1090 Soluble
199 V I 0.0000 Buried
200 P I -0.6387 Soluble
201 S I 0.0000 Buried
202 S I -1.0981 Soluble
203 S I -0.8493 Soluble
204 L I -1.1756 Soluble
205 G I -1.0589 Soluble
206 T I -0.7517 Soluble
207 Q I -1.0401 Soluble
208 T I -1.2080 Soluble
209 Y I 0.0000 Buried
210 I I -1.3872 Soluble
211 C I 0.0000 Buried
212 N I -1.5568 Soluble
213 V I 0.0000 Buried
214 N I -1.8358 Soluble
215 H I 0.0000 Buried
216 K I -2.6445 Soluble
217 P I -1.6521 Soluble
218 S I -1.9785 Soluble
219 N I -2.4567 Soluble
220 T I -2.2596 Soluble
221 K I -2.6422 Soluble
222 V I -1.6823 Soluble
223 D I -2.5888 Soluble
224 K I -2.0792 Soluble
225 R I -2.7301 Soluble
226 V I 0.0000 Buried
227 E I -2.3875 Soluble
228 P I -1.4385 Soluble
1 E J -1.2644 Soluble
2 I J -0.1298 Soluble
3 V J 0.6722 Aggregation-prone
4 L J 0.0000 Buried
5 T J -0.8415 Soluble
6 Q J -1.1768 Soluble
7 S J -1.0803 Soluble
8 P J -0.8027 Soluble
9 D J -1.5181 Soluble
10 F J 0.0447 Aggregation-prone
11 Q J -0.3643 Soluble
12 S J -0.4900 Soluble
13 V J 0.0000 Buried
14 T J -1.8966 Soluble
15 P J -2.3011 Soluble
16 K J -3.1885 Soluble
17 E J -3.2123 Soluble
18 K J -2.8890 Soluble
19 V J 0.0000 Buried
20 T J -0.7393 Soluble
21 I J 0.0000 Buried
22 T J -0.8280 Soluble
23 C J 0.0000 Buried
24 R J -2.3337 Soluble
25 A J -1.1945 Soluble
26 S J -0.8985 Soluble
27 Q J -1.6462 Soluble
28 S J -1.5834 Soluble
29 I J 0.0000 Buried
36 S J -1.5458 Soluble
37 D J -2.0701 Soluble
38 H J -1.3625 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 -1.8020 Soluble
46 P J -1.7714 Soluble
47 D J -2.5824 Soluble
48 Q J -2.5049 Soluble
49 S J -1.5296 Soluble
50 P J 0.0000 Buried
51 K J -1.1859 Soluble
52 L J 0.0000 Buried
53 L J 0.0000 Buried
54 I J 0.0000 Buried
55 K J -0.7191 Soluble
56 Y J -0.6734 Soluble
57 A J 0.0000 Buried
65 S J -0.9940 Soluble
66 H J -1.0113 Soluble
67 A J -0.4498 Soluble
68 I J -0.1173 Soluble
69 S J -0.3058 Soluble
70 G J -0.4112 Soluble
71 V J -0.2318 Soluble
72 P J -0.3260 Soluble
74 S J -0.5153 Soluble
75 R J -0.9984 Soluble
76 F J 0.0000 Buried
77 S J -0.6610 Soluble
78 G J -0.5381 Soluble
79 S J -0.9391 Soluble
80 G J -1.4176 Soluble
83 S J -1.3342 Soluble
84 G J -1.5125 Soluble
85 T J -1.8651 Soluble
86 D J -2.1331 Soluble
87 F J 0.0000 Buried
88 T J -0.7767 Soluble
89 L J 0.0000 Buried
90 T J -0.6845 Soluble
91 I J 0.0000 Buried
92 N J -2.0568 Soluble
93 S J -2.4075 Soluble
94 L J 0.0000 Buried
95 E J -2.8430 Soluble
96 A J -2.7201 Soluble
97 E J -2.8821 Soluble
98 D J 0.0000 Buried
99 A J -1.5943 Soluble
100 A J 0.0000 Buried
101 T J -0.5188 Soluble
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 H J -0.9119 Soluble
109 S J -0.2184 Soluble
114 F J 0.4424 Aggregation-prone
115 P J 0.0566 Aggregation-prone
116 L J 0.0000 Buried
117 T J 0.0912 Aggregation-prone
118 F J 0.2566 Aggregation-prone
119 G J 0.0000 Buried
120 G J -1.1031 Soluble
121 G J -0.9532 Soluble
122 T J 0.0000 Buried
123 K J -0.8064 Soluble
124 V J 0.0000 Buried
125 E J -0.7962 Soluble
126 I J 0.0000 Buried
127 K J -1.3805 Soluble
128 R J -1.2043 Soluble
129 T J -0.1682 Soluble
130 V J 0.2007 Aggregation-prone
131 A J -0.0928 Soluble
132 A J -0.1760 Soluble
133 P J 0.0000 Buried
134 S J -0.1617 Soluble
135 V J 0.0000 Buried
136 F J 0.0000 Buried
137 I J -0.0899 Soluble
138 F J 0.0000 Buried
139 P J -0.6342 Soluble
140 P J 0.0000 Buried
141 S J -1.5787 Soluble
142 D J -2.9558 Soluble
143 E J -2.7772 Soluble
144 Q J 0.0000 Buried
145 L J -2.1079 Soluble
146 K J -2.7975 Soluble
147 S J -1.7462 Soluble
148 G J -1.0184 Soluble
149 T J -1.0753 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 -0.7441 Soluble
159 F J 0.0000 Buried
160 Y J 0.0000 Buried
161 P J -1.6272 Soluble
162 R J -2.7234 Soluble
163 E J -3.0642 Soluble
164 A J -2.2948 Soluble
165 K J -2.3811 Soluble
166 V J -1.0331 Soluble
167 Q J -0.5494 Soluble
168 W J 0.0000 Buried
169 K J -0.4231 Soluble
170 V J 0.0000 Buried
171 D J -1.5350 Soluble
172 N J -1.0554 Soluble
173 A J -0.0905 Soluble
174 L J 0.7482 Aggregation-prone
175 Q J -0.1630 Soluble
176 S J -0.5408 Soluble
177 G J -0.9839 Soluble
178 N J -0.9358 Soluble
179 S J -1.3202 Soluble
180 Q J -1.8188 Soluble
181 E J -2.1514 Soluble
182 S J 0.0000 Buried
183 V J -0.9532 Soluble
184 T J -0.9438 Soluble
185 E J -1.8241 Soluble
186 Q J -1.8634 Soluble
187 D J -2.0150 Soluble
188 S J -2.5010 Soluble
189 K J -2.7733 Soluble
190 D J -1.9404 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 -0.7713 Soluble
199 L J 0.0000 Buried
200 T J -0.5087 Soluble
201 L J -0.5630 Soluble
202 S J -1.1618 Soluble
203 K J -2.1438 Soluble
204 A J -2.0723 Soluble
205 D J -2.9734 Soluble
206 Y J 0.0000 Buried
207 E J -3.9089 Soluble
208 K J -3.7777 Soluble
209 H J -3.2174 Soluble
210 K J -3.1706 Soluble
211 V J -1.5718 Soluble
212 Y J 0.0000 Buried
213 A J 0.0000 Buried
214 C J 0.0000 Buried
215 E J -0.7644 Soluble
216 V J 0.0000 Buried
217 T J -1.2101 Soluble
218 H J 0.0000 Buried
219 Q J -1.7560 Soluble
220 G J -0.5196 Soluble
221 L J -0.2273 Soluble
222 S J -0.4161 Soluble
223 S J -0.3879 Soluble
224 P J -0.5151 Soluble
225 V J -0.0020 Soluble
226 T J -0.5768 Soluble
227 K J -0.9271 Soluble
228 S J -0.7914 Soluble
229 F J -1.0398 Soluble
230 N J -2.1459 Soluble
231 R J -2.2884 Soluble
232 G J -1.5033 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 -0.7414 2.2688 CSV PDB
4.5 -0.7857 2.0946 CSV PDB
5.0 -0.8363 2.0946 CSV PDB
5.5 -0.8817 2.0946 CSV PDB
6.0 -0.9093 2.0946 CSV PDB
6.5 -0.9118 2.0946 CSV PDB
7.0 -0.8918 2.0946 CSV PDB
7.5 -0.858 2.0946 CSV PDB
8.0 -0.8165 2.0946 CSV PDB
8.5 -0.7687 2.0946 CSV PDB
9.0 -0.7144 2.0946 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH