Ralpancizumab / 3sqo

A4DAB216_3sqo_H_L | Source PDB: 3sqo | Chains: H, L | Done
96
Yes
10 Å
Yes
Avg A4D Score
-0.6573
Max Score
1.8254
Min Score
-3.6873
Total Score
-278.71
Score CDR
0.0915
Score non-CDR
-0.7462

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYTFTSYYMHWVRQAPGQGLEWMGEISPFGGRTNYNEKFKSRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARERPLYASDLWGQGTTVTVSSATKGPSVFPLAPSSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSNFGTQTYTCNVDHKPSNTKVDKTVERIQMTQSPSSLSASVGDRVTITCRASQGISSALAWYQQKPGKAPKLLIYSASYRYTGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQRYSLWRTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGES 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 -3.6873
Maximum Score 1.8254
Average Score -0.6573
Total Score -278.7104

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

Index Residue Chain A4D Score Classification
1 Q H -1.1296 Soluble
2 V H -0.2513 Soluble
3 Q H -1.0926 Soluble
4 L H 0.0000 Buried
5 V H -0.1581 Soluble
6 Q H 0.0000 Buried
7 S H -0.7854 Soluble
8 G H -1.0568 Soluble
9 A H -1.0348 Soluble
11 E H -1.7698 Soluble
12 V H -1.1153 Soluble
13 K H -1.9160 Soluble
14 K H -2.5180 Soluble
15 P H -2.0419 Soluble
16 G H -1.6570 Soluble
17 A H -1.2788 Soluble
18 S H -1.2766 Soluble
19 V H -1.3595 Soluble
20 K H -2.1926 Soluble
21 V H 0.0000 Buried
22 S H -0.7216 Soluble
23 C H 0.0000 Buried
24 K H -0.8462 Soluble
25 A H 0.0000 Buried
26 S H -0.5638 Soluble
27 G H -0.5741 Soluble
28 Y H -0.0924 Soluble
29 T H 0.1027 Aggregation-prone
30 F H 0.0971 Aggregation-prone
35 T H 0.4536 Aggregation-prone
36 S H 0.3941 Aggregation-prone
37 Y H 0.6321 Aggregation-prone
38 Y H 0.9408 Aggregation-prone
39 M 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 -0.5951 Soluble
45 A H -1.0606 Soluble
46 P H -0.9981 Soluble
47 G H -1.2106 Soluble
48 Q H -1.7882 Soluble
49 G H -1.2027 Soluble
50 L H 0.0000 Buried
51 E H -0.7032 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 E H 0.0000 Buried
56 I H 0.0000 Buried
57 S H -0.0523 Soluble
58 P H 0.5872 Aggregation-prone
59 F H 1.3740 Aggregation-prone
62 G H -0.2638 Soluble
63 G H -0.8392 Soluble
64 R H -1.8819 Soluble
65 T H -1.2196 Soluble
66 N H -1.1262 Soluble
67 Y H -1.3284 Soluble
68 N H -1.9628 Soluble
69 E H -3.4083 Soluble
70 K H -3.1746 Soluble
71 F H 0.0000 Buried
72 K H -3.1245 Soluble
74 S H -1.8522 Soluble
75 R H -1.6543 Soluble
76 V H 0.0000 Buried
77 T H -1.0496 Soluble
78 M H 0.0000 Buried
79 T H -1.0536 Soluble
80 R H -1.3522 Soluble
81 D H -1.1877 Soluble
82 T H -0.6944 Soluble
83 S H -0.5574 Soluble
84 T H -0.5789 Soluble
85 S H -0.6669 Soluble
86 T H 0.0000 Buried
87 V H 0.0000 Buried
88 Y H -0.8815 Soluble
89 M H 0.0000 Buried
90 E H -1.7725 Soluble
91 L H 0.0000 Buried
92 S H -1.1695 Soluble
93 S H -1.2325 Soluble
94 L H 0.0000 Buried
95 R H -3.0385 Soluble
96 S H -2.2633 Soluble
97 E H -2.5394 Soluble
98 D H 0.0000 Buried
99 T H -1.0168 Soluble
100 A H 0.0000 Buried
101 V H 0.0024 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 R H 0.0363 Aggregation-prone
109 P H 0.2207 Aggregation-prone
110 L H 1.0336 Aggregation-prone
113 Y H 0.6902 Aggregation-prone
114 A H 0.0000 Buried
115 S H 0.0000 Buried
116 D H -0.1914 Soluble
117 L H -0.2907 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.5659 Soluble
121 G H -0.8450 Soluble
122 T H 0.0000 Buried
123 T H -0.4818 Soluble
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -1.2016 Soluble
128 S H -0.8878 Soluble
129 A H -0.4909 Soluble
130 T H -0.8552 Soluble
131 K H -1.2963 Soluble
132 G H -1.4583 Soluble
133 P H 0.0000 Buried
134 S H -0.7730 Soluble
135 V H 0.0000 Buried
136 F H -0.5031 Soluble
137 P H -0.9518 Soluble
138 L H 0.0000 Buried
139 A H -0.9861 Soluble
140 P H -1.0177 Soluble
141 S H -1.1177 Soluble
142 S H -0.8003 Soluble
143 T H -0.2348 Soluble
144 A H -0.2866 Soluble
145 A H 0.0000 Buried
146 L H 0.0000 Buried
147 G H 0.0000 Buried
148 C H 0.0000 Buried
149 L H 0.0000 Buried
150 V H 0.0000 Buried
151 K H -0.4237 Soluble
152 D H -0.7811 Soluble
153 Y H 0.0000 Buried
154 F H 0.0000 Buried
155 P H 0.0000 Buried
156 E H -0.5242 Soluble
157 P H -0.5473 Soluble
158 V H -0.2182 Soluble
159 T H -0.2134 Soluble
160 V H -0.4411 Soluble
161 S H -0.3482 Soluble
162 W H 0.0000 Buried
163 N H -0.8790 Soluble
164 S H -0.8393 Soluble
165 G H -0.6346 Soluble
166 A H -0.3060 Soluble
167 L H -0.0743 Soluble
168 T H -0.1757 Soluble
169 S H -0.1954 Soluble
170 G H -0.1917 Soluble
171 V H 0.2149 Aggregation-prone
172 H H 0.0000 Buried
173 T H -0.0807 Soluble
174 F H 0.0000 Buried
175 P H -0.3770 Soluble
176 A H 0.1807 Aggregation-prone
177 V H 0.3932 Aggregation-prone
178 L H 0.9759 Aggregation-prone
179 Q H 0.1592 Aggregation-prone
180 S H -0.2422 Soluble
181 S H -0.2782 Soluble
182 G H -0.0144 Soluble
183 L H 0.0150 Aggregation-prone
184 Y H 0.2494 Aggregation-prone
185 S H 0.0000 Buried
186 L H 0.0000 Buried
187 S H 0.0000 Buried
188 S H 0.0000 Buried
189 V H 0.0000 Buried
190 V H 0.0000 Buried
191 T H -0.1304 Soluble
192 V H 0.0000 Buried
193 P H -0.5450 Soluble
194 S H -0.5296 Soluble
195 S H -0.7167 Soluble
196 N H -1.2138 Soluble
197 F H -0.6130 Soluble
198 G H -0.9010 Soluble
199 T H -0.7291 Soluble
200 Q H -1.0692 Soluble
201 T H -1.3371 Soluble
202 Y H 0.0000 Buried
203 T H -1.0622 Soluble
204 C H 0.0000 Buried
205 N H -1.5183 Soluble
206 V H 0.0000 Buried
207 D H -1.5927 Soluble
208 H H 0.0000 Buried
209 K H -2.1958 Soluble
210 P H -1.5907 Soluble
211 S H -1.7333 Soluble
212 N H -2.2629 Soluble
213 T H -2.0295 Soluble
214 K H -2.4881 Soluble
215 V H -1.5500 Soluble
216 D H -2.2980 Soluble
217 K H -1.3492 Soluble
218 T H -1.4168 Soluble
219 V H 0.0000 Buried
220 E H -2.7623 Soluble
221 R H -2.7402 Soluble
2 I L 0.1431 Aggregation-prone
3 Q L -1.3184 Soluble
4 M L 0.0000 Buried
5 T L -1.0509 Soluble
6 Q L 0.0000 Buried
7 S L -0.8099 Soluble
8 P L -0.6828 Soluble
9 S L -1.0083 Soluble
10 S L -1.0613 Soluble
11 L L -0.8152 Soluble
12 S L -1.1356 Soluble
13 A L -1.0909 Soluble
14 S L -1.0029 Soluble
15 V L -0.0367 Soluble
16 G L -0.8130 Soluble
17 D L -1.7951 Soluble
18 R L -2.2863 Soluble
19 V L 0.0000 Buried
20 T L -0.5986 Soluble
21 I L 0.0000 Buried
22 T L -0.7662 Soluble
23 C L 0.0000 Buried
24 R L -2.3526 Soluble
25 A L 0.0000 Buried
26 S L -1.4815 Soluble
27 Q L -1.7485 Soluble
28 G L -1.2991 Soluble
29 I L 0.0000 Buried
36 S L -0.6154 Soluble
37 S L -0.4515 Soluble
38 A L 0.2429 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 -1.7153 Soluble
46 P L -1.3660 Soluble
47 G L -1.7755 Soluble
48 K L -2.4588 Soluble
49 A L -1.5366 Soluble
50 P L 0.0000 Buried
51 K L -1.3252 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.0000 Buried
56 S L 0.2642 Aggregation-prone
57 A L 0.0000 Buried
65 S L 0.0799 Aggregation-prone
66 Y L 0.9095 Aggregation-prone
67 R L -0.3480 Soluble
68 Y L -0.1194 Soluble
69 T L -0.2764 Soluble
70 G L -0.6109 Soluble
71 V L 0.0000 Buried
72 P L -0.5560 Soluble
74 S L -0.6648 Soluble
75 R L -0.8941 Soluble
76 F L 0.0000 Buried
77 S L -0.2848 Soluble
78 G L -0.2041 Soluble
79 S L -0.5294 Soluble
80 G L -1.1906 Soluble
83 S L -1.2195 Soluble
84 G L -1.4331 Soluble
85 T L -1.9687 Soluble
86 D L -2.6245 Soluble
87 F L 0.0000 Buried
88 T L -0.7924 Soluble
89 F L 0.0000 Buried
90 T L -0.5882 Soluble
91 I L 0.0000 Buried
92 S L -1.2595 Soluble
93 S L -1.1552 Soluble
94 L L 0.0000 Buried
95 Q L -0.9689 Soluble
96 P L -1.7858 Soluble
97 E L -2.2028 Soluble
98 D L 0.0000 Buried
99 I L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -1.0654 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 R L 0.6756 Aggregation-prone
108 Y L 1.3778 Aggregation-prone
109 S L 1.4584 Aggregation-prone
114 L L 1.8254 Aggregation-prone
115 W L 0.8519 Aggregation-prone
116 R L 0.3765 Aggregation-prone
117 T L -0.0768 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.6890 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -2.1024 Soluble
124 L L 0.0000 Buried
125 E L -1.7141 Soluble
126 I L 0.0000 Buried
127 K L -1.6713 Soluble
128 R L -0.9713 Soluble
129 T L -0.0508 Soluble
130 V L 0.7247 Aggregation-prone
131 A L 0.2467 Aggregation-prone
132 A L -0.0546 Soluble
133 P L 0.0000 Buried
134 S L -0.0741 Soluble
135 V L 0.0868 Aggregation-prone
136 F L 0.2182 Aggregation-prone
137 I L 0.1210 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.7811 Soluble
140 P L 0.0000 Buried
141 S L -1.2343 Soluble
142 D L -2.5007 Soluble
143 E L -2.0704 Soluble
144 Q L 0.0000 Buried
145 L L -1.8102 Soluble
146 K L -2.5094 Soluble
147 S L -1.5664 Soluble
148 G L -1.1101 Soluble
149 T L -0.8724 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 -0.7619 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.7686 Soluble
162 R L -3.0050 Soluble
163 E L -3.0946 Soluble
164 A L -1.9770 Soluble
165 K L -1.5461 Soluble
166 V L -0.5929 Soluble
167 Q L -0.2639 Soluble
168 W L 0.0000 Buried
169 K L -0.4238 Soluble
170 V L 0.0000 Buried
171 D L -1.4404 Soluble
172 N L -1.2265 Soluble
173 A L -0.1787 Soluble
174 L L 0.6745 Aggregation-prone
175 Q L -0.3154 Soluble
176 S L -0.7290 Soluble
177 G L -1.3466 Soluble
178 N L -1.7602 Soluble
179 S L -1.5613 Soluble
180 Q L -1.5400 Soluble
181 E L -1.8663 Soluble
182 S L -0.9366 Soluble
183 V L -0.6903 Soluble
184 T L -1.0252 Soluble
185 E L -2.2170 Soluble
186 Q L 0.0000 Buried
187 D L -2.1558 Soluble
188 S L -2.2654 Soluble
189 K L -2.6151 Soluble
190 D L -1.8950 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 -0.8017 Soluble
199 L L 0.0000 Buried
200 T L -0.5547 Soluble
201 L L -0.8087 Soluble
202 S L -1.0291 Soluble
203 K L -1.9394 Soluble
204 A L -1.8383 Soluble
205 D L -2.5527 Soluble
206 Y L 0.0000 Buried
207 E L -3.6873 Soluble
208 K L -3.5929 Soluble
209 H L -2.8872 Soluble
210 K L -2.8228 Soluble
211 V L -1.3793 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.5037 Soluble
216 V L 0.0000 Buried
217 T L -0.9319 Soluble
218 H L 0.0000 Buried
219 Q L -1.3373 Soluble
220 G L -0.4321 Soluble
221 L L -0.2913 Soluble
222 S L -0.5086 Soluble
223 S L -0.4662 Soluble
224 P L -0.4851 Soluble
225 V L -0.0499 Soluble
226 T L -0.4521 Soluble
227 K L -0.7448 Soluble
228 S L -0.5987 Soluble
229 F L 0.0000 Buried
230 N L -1.7677 Soluble
231 R L -2.7169 Soluble
232 G L -2.4273 Soluble
233 E L -2.6208 Soluble
234 S L -1.9834 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 -0.7421 3.4783 CSV PDB
4.5 -0.7825 3.4783 CSV PDB
5.0 -0.8307 3.4783 CSV PDB
5.5 -0.8772 3.4783 CSV PDB
6.0 -0.9106 3.4783 CSV PDB
6.5 -0.9211 3.4783 CSV PDB
7.0 -0.9073 3.4783 CSV PDB
7.5 -0.8768 3.4783 CSV PDB
8.0 -0.8371 3.4783 CSV PDB
8.5 -0.7913 3.4782 CSV PDB
9.0 -0.7399 3.4779 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH