Carlumab / 4dn3

A4DAB058_4dn3_H_L | Source PDB: 4dn3 | Chains: H, L | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.6567
Max Score
2.3188
Min Score
-3.7821
Total Score
-279.11
Score CDR
0.0368
Score non-CDR
-0.745

Calculation Parameters

Chain Sequence(s) ELVQSGAEVKKPGSSVKVSCKASGGTFSSYGISWVRQAPGQGLEWMGGIIPIFGTANYAQKFQGRVTITADESTSTAYMELSSLRSEDTAVYYCARYDGIYGELDFWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPEIVLTQSPATLSLSPGERATLSCRASQSVSDAYLAWYQQKPGQAPRLLIYDASSRATGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYIQLHSFTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.7821
Maximum Score 2.3188
Average Score -0.6567
Total Score -279.1064

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

Index Residue Chain A4D Score Classification
3 E H -1.6434 Soluble
4 L H 0.0000 Buried
5 V H -0.3329 Soluble
6 Q H 0.0000 Buried
7 S H -0.6957 Soluble
8 G H -1.1427 Soluble
9 A H -1.0011 Soluble
11 E H -1.5948 Soluble
12 V H -1.0374 Soluble
13 K H -1.7956 Soluble
14 K H -2.4637 Soluble
15 P H -1.9202 Soluble
16 G H -1.5304 Soluble
17 S H -1.2202 Soluble
18 S H -1.4030 Soluble
19 V H 0.0000 Buried
20 K H -2.1117 Soluble
21 V H 0.0000 Buried
22 S H -0.6166 Soluble
23 C H 0.0000 Buried
24 K H -1.0988 Soluble
25 A H 0.0000 Buried
26 S H -1.1054 Soluble
27 G H -1.0188 Soluble
28 G H -0.9501 Soluble
29 T H -0.3862 Soluble
30 F H 0.0000 Buried
35 S H 0.2113 Aggregation-prone
36 S H 0.2040 Aggregation-prone
37 Y H 0.3196 Aggregation-prone
38 G H 0.0000 Buried
39 I H 0.0000 Buried
40 S 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 -0.5659 Soluble
45 A H -0.9951 Soluble
46 P H -1.0235 Soluble
47 G H -1.2131 Soluble
48 Q H -1.8381 Soluble
49 G H -1.2701 Soluble
50 L H 0.0000 Buried
51 E H -0.6907 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 G H 0.0000 Buried
56 I H 0.0000 Buried
57 I H 0.9694 Aggregation-prone
58 P H 0.0000 Buried
59 I H 1.8304 Aggregation-prone
62 F H 2.2810 Aggregation-prone
63 G H 0.6007 Aggregation-prone
64 T H 0.5571 Aggregation-prone
65 A H -0.2482 Soluble
66 N H -1.1994 Soluble
67 Y H -1.2609 Soluble
68 A H -1.8847 Soluble
69 Q H -2.7624 Soluble
70 K H -2.7052 Soluble
71 F H 0.0000 Buried
72 Q H -2.5313 Soluble
74 G H -1.6581 Soluble
75 R H -1.6707 Soluble
76 V H 0.0000 Buried
77 T H -0.9558 Soluble
78 I H 0.0000 Buried
79 T H -0.5088 Soluble
80 A H -0.5253 Soluble
81 D H -1.6491 Soluble
82 E H -1.8843 Soluble
83 S H -1.3805 Soluble
84 T H -1.1117 Soluble
85 S H 0.0000 Buried
86 T H -0.9602 Soluble
87 A H 0.0000 Buried
88 Y H -0.6446 Soluble
89 M H 0.0000 Buried
90 E H -1.6288 Soluble
91 L H 0.0000 Buried
92 S H -1.1526 Soluble
93 S H -1.0888 Soluble
94 L H 0.0000 Buried
95 R H -2.7037 Soluble
96 S H -2.1266 Soluble
97 E H -2.4325 Soluble
98 D H 0.0000 Buried
99 T H -0.8837 Soluble
100 A H 0.0000 Buried
101 V H 0.2345 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 -0.0292 Soluble
107 Y H 0.0000 Buried
108 D H 0.2951 Aggregation-prone
109 G H 0.9386 Aggregation-prone
110 I H 2.3188 Aggregation-prone
112 Y H 1.9447 Aggregation-prone
113 G H 0.0000 Buried
114 E H 0.0000 Buried
115 L H 0.0000 Buried
116 D H 0.1571 Aggregation-prone
117 F H 0.9952 Aggregation-prone
118 W H 0.0852 Aggregation-prone
119 G H 0.0000 Buried
120 Q H -1.3187 Soluble
121 G H -0.6544 Soluble
122 T H 0.0000 Buried
123 L H -0.1042 Soluble
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -1.3202 Soluble
128 S H -1.0853 Soluble
129 A H -0.6666 Soluble
130 S H -0.7219 Soluble
131 T H -0.7591 Soluble
132 K H -1.2252 Soluble
133 G H -1.3547 Soluble
134 P H -0.6166 Soluble
135 S H -0.4794 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.2551 Soluble
139 L H 0.0000 Buried
140 A H -0.8411 Soluble
141 P H -0.6051 Soluble
142 S H -0.3307 Soluble
143 G H -0.6435 Soluble
144 T H -0.4994 Soluble
145 A H 0.0000 Buried
146 A H 0.0000 Buried
147 L H 0.0000 Buried
148 G H 0.0000 Buried
149 C H 0.0000 Buried
150 L H 0.0000 Buried
151 V H 0.0000 Buried
152 K H 0.0000 Buried
153 D H -0.4350 Soluble
154 Y H 0.0000 Buried
155 F H 0.0000 Buried
156 P H 0.0000 Buried
157 E H -0.6109 Soluble
158 P H -0.8007 Soluble
159 V H -0.4435 Soluble
160 T H -0.5169 Soluble
161 V H -0.0896 Soluble
162 S H -0.2797 Soluble
163 W H 0.0000 Buried
164 N H -0.6550 Soluble
165 S H -0.5969 Soluble
166 G H -0.5834 Soluble
167 A H -0.2482 Soluble
168 L H -0.0005 Soluble
169 T H -0.1712 Soluble
170 S H -0.1902 Soluble
171 G H -0.2579 Soluble
172 V H 0.1668 Aggregation-prone
173 H H -0.3098 Soluble
174 T H 0.0243 Aggregation-prone
175 F H 0.0000 Buried
176 P H -0.3197 Soluble
177 A H 0.2707 Aggregation-prone
178 V H 0.4624 Aggregation-prone
179 L H 1.3096 Aggregation-prone
180 Q H 0.2365 Aggregation-prone
181 S H -0.0635 Soluble
182 S H -0.2217 Soluble
183 G H 0.0484 Aggregation-prone
184 L H 0.1778 Aggregation-prone
185 Y H 0.4625 Aggregation-prone
186 S H 0.0000 Buried
187 L H 0.0000 Buried
188 S H 0.0000 Buried
189 S H 0.0000 Buried
190 V H 0.0000 Buried
191 V H 0.0000 Buried
192 T H -0.1423 Soluble
193 V H 0.0000 Buried
194 P H -0.5676 Soluble
195 S H -0.5600 Soluble
196 S H -0.6286 Soluble
197 S H -0.6388 Soluble
198 L H -0.8279 Soluble
199 G H -1.0162 Soluble
200 T H -0.7703 Soluble
201 Q H -1.1797 Soluble
202 T H -1.1792 Soluble
203 Y H 0.0000 Buried
204 I H -1.0583 Soluble
205 C H 0.0000 Buried
206 N H -1.2511 Soluble
207 V H 0.0000 Buried
208 N H -1.6677 Soluble
209 H H 0.0000 Buried
210 K H -2.8607 Soluble
211 P H -1.8555 Soluble
212 S H -1.8848 Soluble
213 N H -2.4720 Soluble
214 T H -2.0389 Soluble
215 K H -2.5314 Soluble
216 V H -1.3649 Soluble
217 D H -1.9389 Soluble
218 K H -1.9131 Soluble
219 K H -2.5289 Soluble
220 V H 0.0000 Buried
221 E H -2.4205 Soluble
222 P H -1.2106 Soluble
1 E L -1.6062 Soluble
2 I L 0.0000 Buried
3 V L 0.8226 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.5154 Soluble
6 Q L 0.0000 Buried
7 S L -0.5039 Soluble
8 P L -0.1794 Soluble
9 A L -0.2959 Soluble
10 T L -0.2234 Soluble
11 L L -0.1731 Soluble
12 S L -0.5628 Soluble
13 L L -1.1980 Soluble
14 S L -1.6200 Soluble
15 P L -1.8148 Soluble
16 G L -1.8471 Soluble
17 E L -2.5813 Soluble
18 R L -2.7951 Soluble
19 A L 0.0000 Buried
20 T L -0.6854 Soluble
21 L L 0.0000 Buried
22 S L -0.7578 Soluble
23 C L 0.0000 Buried
24 R L -1.8095 Soluble
25 A L -0.8687 Soluble
26 S L -0.6800 Soluble
27 Q L -1.0857 Soluble
28 S L -1.0783 Soluble
29 V L 0.0000 Buried
30 S L -1.0264 Soluble
36 D L -1.9464 Soluble
37 A L 0.0000 Buried
38 Y L 0.2878 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 -1.1777 Soluble
46 P L -1.1556 Soluble
47 G L -1.4390 Soluble
48 Q L -1.7142 Soluble
49 A L -0.9020 Soluble
50 P L 0.0000 Buried
51 R L -0.7084 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.2993 Soluble
56 D L -0.9040 Soluble
57 A L 0.0000 Buried
65 S L -1.1286 Soluble
66 S L -1.0543 Soluble
67 R L -1.6794 Soluble
68 A L -0.9976 Soluble
69 T L -0.6984 Soluble
70 G L -0.7180 Soluble
71 V L 0.0000 Buried
72 P L -0.5014 Soluble
74 A L -0.4702 Soluble
75 R L -0.7176 Soluble
76 F L 0.0000 Buried
77 S L -0.7271 Soluble
78 G L -0.6924 Soluble
79 S L -0.8231 Soluble
80 G L -1.5444 Soluble
83 S L -1.7044 Soluble
84 G L -1.4994 Soluble
85 T L -1.8895 Soluble
86 D L -2.5412 Soluble
87 F L 0.0000 Buried
88 T L -0.7967 Soluble
89 L L 0.0000 Buried
90 T L -0.6513 Soluble
91 I L 0.0000 Buried
92 S L -1.4881 Soluble
93 S L -1.7794 Soluble
94 L L 0.0000 Buried
95 E L -2.2000 Soluble
96 P L -2.1881 Soluble
97 E L -2.1060 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 V L -0.2167 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 H L 0.0000 Buried
106 Q L 0.0000 Buried
107 Y L 0.0000 Buried
108 I L 0.2724 Aggregation-prone
109 Q L -0.4087 Soluble
113 L L -0.0072 Soluble
114 H L -1.1200 Soluble
115 S L -1.0715 Soluble
116 F L 0.0000 Buried
117 T L -0.0086 Soluble
118 F L 0.1067 Aggregation-prone
119 G L 0.0000 Buried
120 Q L -1.2660 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -0.6132 Soluble
124 V L 0.0000 Buried
125 E L -1.0079 Soluble
126 I L 0.0000 Buried
127 K L -1.2332 Soluble
128 R L -0.9263 Soluble
129 T L 0.1777 Aggregation-prone
130 V L 1.0826 Aggregation-prone
131 A L 0.4804 Aggregation-prone
132 A L 0.0376 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.2372 Soluble
135 V L 0.0000 Buried
136 F L 0.0000 Buried
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.6325 Soluble
140 P L -0.8168 Soluble
141 S L -1.7073 Soluble
142 D L -3.0792 Soluble
143 E L -3.1838 Soluble
144 Q L 0.0000 Buried
145 L L -2.1768 Soluble
146 K L -2.8916 Soluble
147 S L -1.8081 Soluble
148 G L -1.5880 Soluble
149 T L -1.0747 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 -0.8195 Soluble
159 F L 0.0000 Buried
160 Y L -0.8395 Soluble
161 P L -1.4835 Soluble
162 R L -2.7629 Soluble
163 E L -3.1198 Soluble
164 A L -2.0799 Soluble
165 K L -1.8789 Soluble
166 V L -0.8938 Soluble
167 Q L -0.6811 Soluble
168 W L 0.0000 Buried
169 K L -0.6410 Soluble
170 V L 0.0000 Buried
171 D L -1.7747 Soluble
172 N L -1.4140 Soluble
173 A L -0.1674 Soluble
174 L L 0.7437 Aggregation-prone
175 Q L -0.3186 Soluble
176 S L -0.5319 Soluble
177 G L -1.0541 Soluble
178 N L -1.0903 Soluble
179 S L -1.4363 Soluble
180 Q L -1.8312 Soluble
181 E L -1.9915 Soluble
182 S L -1.0086 Soluble
183 V L -0.6827 Soluble
184 T L -0.8947 Soluble
185 E L -2.2511 Soluble
186 Q L 0.0000 Buried
187 D L -2.1721 Soluble
188 S L -2.2814 Soluble
189 K L -2.8047 Soluble
190 D L -2.3973 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 -0.8154 Soluble
199 L L 0.0000 Buried
200 T L -0.5657 Soluble
201 L L -0.8214 Soluble
202 S L -1.3823 Soluble
203 K L -2.2839 Soluble
204 A L -2.0643 Soluble
205 D L -2.6812 Soluble
206 Y L 0.0000 Buried
207 E L -3.7821 Soluble
208 K L -3.6789 Soluble
209 H L -3.0769 Soluble
210 K L -3.2051 Soluble
211 V L -1.6177 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.7754 Soluble
216 V L 0.0000 Buried
217 T L -1.0042 Soluble
218 H L 0.0000 Buried
219 Q L -1.3221 Soluble
220 G L -0.2154 Soluble
221 L L -0.1578 Soluble
222 S L -0.4392 Soluble
223 S L -0.3801 Soluble
224 P L -0.3874 Soluble
225 V L 0.1328 Aggregation-prone
226 T L -0.4055 Soluble
227 K L -0.6465 Soluble
228 S L -0.7342 Soluble
229 F L -0.9314 Soluble
230 N L -2.0414 Soluble
231 R L -2.3366 Soluble
232 G L -1.4354 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 -0.6274 5.2545 CSV PDB
4.5 -0.6719 5.2223 CSV PDB
5.0 -0.7261 5.1765 CSV PDB
5.5 -0.7794 5.1249 CSV PDB
6.0 -0.8199 5.0755 CSV PDB
6.5 -0.8383 5.0363 CSV PDB
7.0 -0.8326 5.0128 CSV PDB
7.5 -0.8102 5.0023 CSV PDB
8.0 -0.7785 4.9985 CSV PDB
8.5 -0.7408 4.9972 CSV PDB
9.0 -0.6977 4.9968 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH