Metelimumab / 6amj

A4DAB169_6amj_B_A | Source PDB: 6amj | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7379
Max Score
1.4056
Min Score
-3.6646
Total Score
-310.65
Score CDR
-0.5663
Score non-CDR
-0.7832

Calculation Parameters

Chain Sequence(s) QLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKELEWVAVISYDGSIKYYADSVKGRFTISRDNNTLYLQMNSLRAEDTAVYYCARSWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVHHHEIVLTQSPSSLSASVGDRVTITCRASQGIGDDLGWYQQKPGKAPILLIYGTSTLQSGVPSRFSGSGSGTDFTLTINSLQPEDFATYYCLQDSNYPLTFGGGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) B (Heavy), A (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 -3.6646
Maximum Score 1.4056
Average Score -0.7379
Total Score -310.6505

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

Index Residue Chain A4D Score Classification
3 Q B -1.0026 Soluble
4 L B 0.0000 Buried
5 V B 0.4238 Aggregation-prone
6 E B 0.0000 Buried
7 S B -0.3479 Soluble
8 G B -0.7039 Soluble
9 G B -0.3733 Soluble
11 G B 0.3043 Aggregation-prone
12 V B 0.8581 Aggregation-prone
13 V B 0.0000 Buried
14 Q B -1.6330 Soluble
15 P B -2.1344 Soluble
16 G B -2.4178 Soluble
17 R B -2.9794 Soluble
18 S B -2.1905 Soluble
19 L B -1.4343 Soluble
20 R B -1.7668 Soluble
21 L B 0.0000 Buried
22 S B -0.3474 Soluble
23 C B 0.0000 Buried
24 A B -0.1678 Soluble
25 A B -0.7219 Soluble
26 S B -0.4303 Soluble
27 G B -0.0724 Soluble
28 F B 1.3115 Aggregation-prone
29 T B 0.3986 Aggregation-prone
30 F B 0.0000 Buried
35 S B -0.8120 Soluble
36 S B 0.1194 Aggregation-prone
37 Y B 0.2156 Aggregation-prone
38 G B -0.3651 Soluble
39 M B 0.0000 Buried
40 H B -0.5744 Soluble
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 R B 0.0000 Buried
44 Q B -1.0249 Soluble
45 A B -1.3890 Soluble
46 P B -1.1015 Soluble
47 G B -1.6056 Soluble
48 K B -2.6011 Soluble
49 E B -2.0846 Soluble
50 L B 0.0000 Buried
51 E B -1.1568 Soluble
52 W B 0.0000 Buried
53 V B 0.0000 Buried
54 A B 0.0000 Buried
55 V B 0.0000 Buried
56 I B 0.0000 Buried
57 S B 0.0065 Aggregation-prone
58 Y B 0.2853 Aggregation-prone
59 D B -1.5206 Soluble
62 G B -0.9909 Soluble
63 S B -0.4503 Soluble
64 I B 0.3066 Aggregation-prone
65 K B -0.2153 Soluble
66 Y B 0.3523 Aggregation-prone
67 Y B -0.5831 Soluble
68 A B -1.1687 Soluble
69 D B -2.6456 Soluble
70 S B -1.8031 Soluble
71 V B 0.0000 Buried
72 K B -2.5610 Soluble
74 G B -1.8894 Soluble
75 R B -1.9932 Soluble
76 F B 0.0000 Buried
77 T B -0.9731 Soluble
78 I B 0.0000 Buried
79 S B -0.7973 Soluble
80 R B -1.7416 Soluble
81 D B -3.0655 Soluble
82 N B -2.8660 Soluble
85 N B -2.2409 Soluble
86 T B -1.4515 Soluble
87 L B 0.0000 Buried
88 Y B -0.6549 Soluble
89 L B 0.0000 Buried
90 Q B -1.4225 Soluble
91 M B 0.0000 Buried
92 N B -2.6442 Soluble
93 S B -2.1918 Soluble
94 L B 0.0000 Buried
95 R B -2.8697 Soluble
96 A B -1.8174 Soluble
97 E B -2.3412 Soluble
98 D B 0.0000 Buried
99 T B -0.7142 Soluble
100 A B 0.0000 Buried
101 V B 0.0765 Aggregation-prone
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 A B 0.0000 Buried
106 R B -1.8547 Soluble
117 S B -0.6780 Soluble
118 W B -0.6288 Soluble
119 G B 0.0000 Buried
120 Q B -1.5679 Soluble
121 G B -0.6576 Soluble
122 T B -0.2579 Soluble
123 T B -0.0464 Soluble
124 V B 0.0000 Buried
125 T B -0.1850 Soluble
126 V B 0.0000 Buried
127 S B -0.7052 Soluble
128 S B -0.5241 Soluble
129 A B -0.3710 Soluble
130 S B -0.4799 Soluble
131 T B -0.5807 Soluble
132 K B -1.1847 Soluble
133 G B -1.3382 Soluble
134 P B 0.0000 Buried
135 S B -0.4247 Soluble
136 V B 0.0000 Buried
137 F B 0.0000 Buried
138 P B -1.2219 Soluble
139 L B 0.0000 Buried
140 A B 0.0000 Buried
141 P B -0.4629 Soluble
142 C B -0.8944 Soluble
143 S B -1.1539 Soluble
144 R B -1.9911 Soluble
145 S B -1.5156 Soluble
146 T B -1.1299 Soluble
147 S B -1.4044 Soluble
148 E B -2.2944 Soluble
149 S B -1.4736 Soluble
150 T B -1.0705 Soluble
151 A B 0.0000 Buried
152 A B 0.0000 Buried
153 L B 0.0000 Buried
154 G B 0.0000 Buried
155 C B 0.0000 Buried
156 L B 0.0000 Buried
157 V B 0.0000 Buried
158 K B 0.0000 Buried
159 D B -0.3169 Soluble
160 Y B 0.0000 Buried
161 F B 0.0000 Buried
162 P B -0.7263 Soluble
163 E B -1.0640 Soluble
164 P B -1.0878 Soluble
165 V B -0.8073 Soluble
166 T B -0.5895 Soluble
167 V B -0.1907 Soluble
168 S B -0.4515 Soluble
169 W B 0.0000 Buried
170 N B -0.9155 Soluble
171 S B -0.7080 Soluble
172 G B -0.4954 Soluble
173 A B -0.2114 Soluble
174 L B -0.0596 Soluble
175 T B -0.1867 Soluble
176 S B -0.2183 Soluble
177 G B -0.2711 Soluble
178 V B 0.1183 Aggregation-prone
179 H B -0.3169 Soluble
180 T B 0.0229 Aggregation-prone
181 F B 0.0000 Buried
182 P B -0.2219 Soluble
183 A B 0.2493 Aggregation-prone
184 V B 0.6461 Aggregation-prone
185 L B 1.4056 Aggregation-prone
186 Q B 0.2866 Aggregation-prone
187 S B -0.0424 Soluble
188 S B -0.1546 Soluble
189 G B 0.1142 Aggregation-prone
190 L B 0.1376 Aggregation-prone
191 Y B 0.4184 Aggregation-prone
192 S B 0.0000 Buried
193 L B 0.0000 Buried
194 S B 0.0000 Buried
195 S B 0.0000 Buried
196 V B 0.0000 Buried
197 V B 0.0000 Buried
198 T B -0.1219 Soluble
199 V B 0.0000 Buried
200 P B -0.6153 Soluble
201 S B 0.0000 Buried
202 S B -1.0519 Soluble
203 S B -1.0312 Soluble
204 L B -1.2026 Soluble
205 G B -1.4048 Soluble
206 T B -1.1344 Soluble
207 K B -1.8825 Soluble
208 T B -1.5160 Soluble
209 Y B 0.0000 Buried
210 T B -1.7958 Soluble
211 C B 0.0000 Buried
212 N B -1.5936 Soluble
213 V B 0.0000 Buried
214 D B -1.8428 Soluble
215 H B 0.0000 Buried
216 K B -2.8650 Soluble
217 P B -1.7762 Soluble
218 S B -1.8800 Soluble
219 N B -2.6623 Soluble
220 T B -2.0868 Soluble
221 K B -2.6452 Soluble
222 V B -1.5269 Soluble
223 D B -2.7328 Soluble
224 K B -2.2917 Soluble
225 R B -2.8056 Soluble
226 V B 0.0000 Buried
227 H B -1.9566 Soluble
228 H B -1.6749 Soluble
229 H B -1.6056 Soluble
1 E A -1.7746 Soluble
2 I A 0.0000 Buried
3 V A 0.2973 Aggregation-prone
4 L A 0.0000 Buried
5 T A -0.7216 Soluble
6 Q A -0.7977 Soluble
7 S A -0.6959 Soluble
8 P A -0.4341 Soluble
9 S A -0.5688 Soluble
10 S A -0.3938 Soluble
11 L A -0.1458 Soluble
12 S A -0.6252 Soluble
13 A A 0.0000 Buried
14 S A -0.5842 Soluble
15 V A -0.0291 Soluble
16 G A -0.8909 Soluble
17 D A -1.6010 Soluble
18 R A -2.3765 Soluble
19 V A 0.0000 Buried
20 T A -0.6191 Soluble
21 I A 0.0000 Buried
22 T A -0.7327 Soluble
23 C A 0.0000 Buried
24 R A -2.2505 Soluble
25 A A -1.4178 Soluble
26 S A -1.1646 Soluble
27 Q A -1.9058 Soluble
28 G A -1.9216 Soluble
29 I A 0.0000 Buried
36 G A -2.0452 Soluble
37 D A -2.6350 Soluble
38 D A -2.1821 Soluble
39 L A 0.0000 Buried
40 G A 0.0000 Buried
41 W A 0.0000 Buried
42 Y A 0.0000 Buried
43 Q A 0.0317 Aggregation-prone
44 Q A 0.0000 Buried
45 K A -1.3765 Soluble
46 P A -1.4969 Soluble
47 G A -1.7273 Soluble
48 K A -2.3046 Soluble
49 A A -1.1414 Soluble
50 P A 0.0000 Buried
51 I A 0.9853 Aggregation-prone
52 L A 0.9326 Aggregation-prone
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 Y A 0.4213 Aggregation-prone
56 G A -0.7972 Soluble
57 T A 0.0000 Buried
65 S A -0.4808 Soluble
66 T A 0.0154 Aggregation-prone
67 L A 0.3048 Aggregation-prone
68 Q A -0.1079 Soluble
69 S A -0.5221 Soluble
70 G A -0.5857 Soluble
71 V A -0.1237 Soluble
72 P A -0.3855 Soluble
74 S A -0.5217 Soluble
75 R A -0.9082 Soluble
76 F A 0.0000 Buried
77 S A -0.2559 Soluble
78 G A -0.1607 Soluble
79 S A -0.8219 Soluble
80 G A -1.3049 Soluble
83 S A -1.1475 Soluble
84 G A -1.7296 Soluble
85 T A -1.7671 Soluble
86 D A -1.7426 Soluble
87 F A 0.0000 Buried
88 T A -0.6684 Soluble
89 L A 0.0000 Buried
90 T A -0.7070 Soluble
91 I A 0.0000 Buried
92 N A -1.6387 Soluble
93 S A -1.3403 Soluble
94 L A 0.0000 Buried
95 Q A -0.9907 Soluble
96 P A -0.9032 Soluble
97 E A -1.8439 Soluble
98 D A 0.0000 Buried
99 F A -0.3115 Soluble
100 A A 0.0000 Buried
101 T A -0.5343 Soluble
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 L A 0.0000 Buried
106 Q A 0.0000 Buried
107 D A -1.1478 Soluble
108 S A -1.4342 Soluble
109 N A -1.3187 Soluble
114 Y A 0.1144 Aggregation-prone
115 P A -0.4147 Soluble
116 L A -0.2203 Soluble
117 T A -0.3298 Soluble
118 F A 0.0000 Buried
119 G A 0.0000 Buried
120 G A -1.0156 Soluble
121 G A 0.0000 Buried
122 T A 0.0000 Buried
123 R A -0.7243 Soluble
124 L A 0.0000 Buried
125 E A 0.0000 Buried
126 I A -0.3181 Soluble
127 K A -1.3844 Soluble
128 R A -1.1530 Soluble
129 T A -0.2408 Soluble
130 V A 0.3460 Aggregation-prone
131 A A 0.0379 Aggregation-prone
132 A A -0.1003 Soluble
133 P A 0.0000 Buried
134 S A -0.1245 Soluble
135 V A 0.0000 Buried
136 F A 0.1618 Aggregation-prone
137 I A 0.1028 Aggregation-prone
138 F A 0.0000 Buried
139 P A 0.0000 Buried
140 P A -0.8288 Soluble
141 S A -2.0314 Soluble
142 D A -3.2946 Soluble
143 E A -3.2892 Soluble
144 Q A 0.0000 Buried
145 L A -2.3485 Soluble
146 K A -2.9587 Soluble
147 S A -1.8059 Soluble
148 G A -1.4403 Soluble
149 T A -1.1045 Soluble
150 A A 0.0000 Buried
151 S A 0.0000 Buried
152 V A 0.0000 Buried
153 V A 0.0000 Buried
154 C A 0.0000 Buried
155 L A 0.0000 Buried
156 L A 0.0000 Buried
157 N A 0.0000 Buried
158 N A -0.7593 Soluble
159 F A 0.0000 Buried
160 Y A 0.0000 Buried
161 P A -1.5437 Soluble
162 R A -2.2931 Soluble
163 E A -2.9100 Soluble
164 A A -2.1248 Soluble
165 K A -2.1673 Soluble
166 V A -0.9738 Soluble
167 Q A -0.7106 Soluble
168 W A 0.0000 Buried
169 K A -0.7041 Soluble
170 V A 0.0000 Buried
171 D A -1.7035 Soluble
172 N A -1.2951 Soluble
173 A A -0.3687 Soluble
174 L A 0.5349 Aggregation-prone
175 Q A -0.2078 Soluble
176 S A -0.4402 Soluble
177 G A -0.9353 Soluble
178 N A -0.8322 Soluble
179 S A -1.0928 Soluble
180 Q A -1.3778 Soluble
181 E A -1.2905 Soluble
182 S A -0.7056 Soluble
183 V A -0.5921 Soluble
184 T A -1.1261 Soluble
185 E A -2.2105 Soluble
186 Q A -1.7856 Soluble
187 D A -1.8892 Soluble
188 S A -1.6535 Soluble
189 K A -2.2047 Soluble
190 D A -1.6600 Soluble
191 S A -1.6683 Soluble
192 T A 0.0000 Buried
193 Y A 0.0000 Buried
194 S A 0.0000 Buried
195 L A 0.0000 Buried
196 S A 0.0000 Buried
197 S A 0.0000 Buried
198 T A -0.5718 Soluble
199 L A 0.0000 Buried
200 T A -0.3161 Soluble
201 L A -0.6655 Soluble
202 S A -1.1750 Soluble
203 K A -2.1664 Soluble
204 A A -2.0762 Soluble
205 D A -3.0011 Soluble
206 Y A 0.0000 Buried
207 E A -3.3114 Soluble
208 K A -3.6646 Soluble
209 H A -3.0514 Soluble
210 K A -2.9758 Soluble
211 V A -1.2938 Soluble
212 Y A 0.0000 Buried
213 A A -0.7303 Soluble
214 C A 0.0000 Buried
215 E A -1.0150 Soluble
216 V A 0.0000 Buried
217 T A -1.2388 Soluble
218 H A 0.0000 Buried
219 Q A -1.6791 Soluble
220 G A -0.4332 Soluble
221 L A -0.2328 Soluble
222 S A -0.4439 Soluble
223 S A -0.4312 Soluble
224 P A -0.6080 Soluble
225 V A -0.0704 Soluble
226 T A -0.4724 Soluble
227 K A -0.5224 Soluble
228 S A -0.4112 Soluble
229 F A 0.0000 Buried
230 N A -1.6726 Soluble
231 R A -2.2196 Soluble
232 G A -2.1302 Soluble
233 E A -2.2855 Soluble
234 C A -1.1253 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.7939 3.5307 CSV PDB
4.5 -0.8411 3.5307 CSV PDB
5.0 -0.8969 3.5307 CSV PDB
5.5 -0.9514 3.5307 CSV PDB
6.0 -0.9939 3.5307 CSV PDB
6.5 -1.016 3.5307 CSV PDB
7.0 -1.0166 3.5307 CSV PDB
7.5 -1.0026 3.5307 CSV PDB
8.0 -0.9802 3.5307 CSV PDB
8.5 -0.9511 3.5307 CSV PDB
9.0 -0.9147 3.5307 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH