Bamlanivimab / 7kmg

A4DAB032_7kmg_A_B | Source PDB: 7kmg | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6675
Max Score
2.012
Min Score
-3.7117
Total Score
-291.72
Score CDR
-0.0081
Score non-CDR
-0.7566

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGGTFSNYAISWVRQAPGQGLEWMGRIIPILGIANYAQKFQGRVTITADKSTSTAYMELSSLRSEDTAVYYCARGYYEARHYYYYYAMDVWGQGTAVTVSSASTKGPSVFPLAPCSSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVHHHHHDIQMTQSPSSLSASVGDRVTITCRASQSISSYLSWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTITSLQPEDFATYYCQQSYSTPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTQGTTSVTKSFNRGEC input.pdb
Selected Chain(s) A (Heavy), B (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 -3.7117
Maximum Score 2.012
Average Score -0.6675
Total Score -291.7177

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

Index Residue Chain A4D Score Classification
1 Q A -1.4436 Soluble
2 V A -0.8997 Soluble
3 Q A -1.4471 Soluble
4 L A 0.0000 Buried
5 V A 0.1406 Aggregation-prone
6 Q A 0.0000 Buried
7 S A -0.6005 Soluble
8 G A -0.5489 Soluble
9 A A -0.2493 Soluble
11 E A -0.5801 Soluble
12 V A 0.1148 Aggregation-prone
13 K A -1.1997 Soluble
14 K A -2.2270 Soluble
15 P A -2.1264 Soluble
16 G A -1.5165 Soluble
17 S A -1.1971 Soluble
18 S A -1.3430 Soluble
19 V A 0.0000 Buried
20 K A -2.0444 Soluble
21 V A 0.0000 Buried
22 S A -0.4589 Soluble
23 C A 0.0000 Buried
24 K A -0.7371 Soluble
25 A A 0.0000 Buried
26 S A -0.8261 Soluble
27 G A -1.1703 Soluble
28 G A -0.9090 Soluble
29 T A -0.7171 Soluble
30 F A 0.0000 Buried
35 S A -0.3622 Soluble
36 N A -0.6676 Soluble
37 Y A -0.1556 Soluble
38 A A 0.0000 Buried
39 I A 0.0000 Buried
40 S A 0.0000 Buried
41 W A 0.0000 Buried
42 V A 0.0000 Buried
43 R A -0.4512 Soluble
44 Q A -0.6847 Soluble
45 A A -1.0382 Soluble
46 P A -1.0482 Soluble
47 G A -1.2220 Soluble
48 Q A -1.8551 Soluble
49 G A -1.3582 Soluble
50 L A 0.0000 Buried
51 E A -0.8109 Soluble
52 W A 0.0000 Buried
53 M A 0.0000 Buried
54 G A 0.0000 Buried
55 R A -0.4707 Soluble
56 I A 0.0000 Buried
57 I A 0.0000 Buried
58 P A 0.0000 Buried
59 I A 1.3254 Aggregation-prone
62 L A 2.0120 Aggregation-prone
63 G A 0.7925 Aggregation-prone
64 I A 1.2657 Aggregation-prone
65 A A -0.0113 Soluble
66 N A -1.2523 Soluble
67 Y A -1.4438 Soluble
68 A A 0.0000 Buried
69 Q A -2.5072 Soluble
70 K A -2.5803 Soluble
71 F A 0.0000 Buried
72 Q A -2.4893 Soluble
74 G A -1.6348 Soluble
75 R A -1.4091 Soluble
76 V A 0.0000 Buried
77 T A -0.9644 Soluble
78 I A 0.0000 Buried
79 T A -0.3757 Soluble
80 A A -0.5649 Soluble
81 D A -1.7842 Soluble
82 K A -1.9561 Soluble
83 S A -1.3478 Soluble
84 T A -1.0837 Soluble
85 S A 0.0000 Buried
86 T A 0.0000 Buried
87 A A 0.0000 Buried
88 Y A -0.4631 Soluble
89 M A 0.0000 Buried
90 E A -1.4592 Soluble
91 L A 0.0000 Buried
92 S A -1.1030 Soluble
93 S A -1.1006 Soluble
94 L A 0.0000 Buried
95 R A -2.7913 Soluble
96 S A -2.2615 Soluble
97 E A -2.4775 Soluble
98 D A 0.0000 Buried
99 T A -0.9454 Soluble
100 A A 0.0000 Buried
101 V A 0.0531 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 A A 0.0000 Buried
106 R A -0.2706 Soluble
107 G A 0.0000 Buried
108 Y A 0.0000 Buried
109 Y A -0.0868 Soluble
110 E A -0.8399 Soluble
111 A A -0.5807 Soluble
111A R A -1.5818 Soluble
111B H A -0.2775 Soluble
112C Y A 1.0209 Aggregation-prone
112B Y A 1.5732 Aggregation-prone
112A Y A 1.0339 Aggregation-prone
112 Y A 1.3905 Aggregation-prone
113 Y A 0.9091 Aggregation-prone
114 A A 0.0000 Buried
115 M A 0.0000 Buried
116 D A -0.4098 Soluble
117 V A -0.5930 Soluble
118 W A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.4935 Soluble
121 G A -0.8182 Soluble
122 T A 0.0000 Buried
123 A A -0.1905 Soluble
124 V A 0.0000 Buried
125 T A -0.6474 Soluble
126 V A 0.0000 Buried
127 S A -1.2378 Soluble
128 S A -1.0855 Soluble
129 A A -0.6180 Soluble
130 S A -0.6655 Soluble
131 T A -0.7605 Soluble
132 K A -1.5144 Soluble
133 G A -1.6520 Soluble
134 P A 0.0000 Buried
135 S A -0.3591 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.3307 Soluble
139 L A 0.0000 Buried
140 A A 0.0000 Buried
141 P A -0.4502 Soluble
142 C A -0.4835 Soluble
143 S A -0.6715 Soluble
144 S A -1.2256 Soluble
145 E A -2.1299 Soluble
146 S A -1.2831 Soluble
147 T A -0.9132 Soluble
148 A A -0.7538 Soluble
149 A A 0.0000 Buried
150 L A 0.0000 Buried
151 G A 0.0000 Buried
152 C A 0.0000 Buried
153 L A 0.0000 Buried
154 V A 0.0000 Buried
155 K A 0.0000 Buried
156 D A -0.6201 Soluble
157 Y A 0.0000 Buried
158 F A 0.0000 Buried
159 P A 0.0000 Buried
160 E A -1.1339 Soluble
161 P A -1.3447 Soluble
162 V A -1.1935 Soluble
163 T A -0.9478 Soluble
164 V A -0.5966 Soluble
165 S A -0.6037 Soluble
166 W A 0.0000 Buried
167 N A -0.9326 Soluble
168 S A -0.7634 Soluble
169 G A -0.6005 Soluble
170 A A -0.2838 Soluble
171 L A -0.1011 Soluble
172 T A -0.1792 Soluble
173 S A -0.3298 Soluble
174 G A -0.1113 Soluble
175 V A 0.1912 Aggregation-prone
176 H A -0.2753 Soluble
177 T A 0.0256 Aggregation-prone
178 F A 0.0000 Buried
179 P A -0.4097 Soluble
180 A A -0.0581 Soluble
181 V A 0.2731 Aggregation-prone
182 L A 0.9057 Aggregation-prone
183 Q A 0.1668 Aggregation-prone
184 S A -0.1204 Soluble
185 S A -0.2344 Soluble
186 G A -0.0610 Soluble
187 L A -0.1729 Soluble
188 Y A 0.0000 Buried
189 S A 0.0163 Aggregation-prone
190 L A 0.0000 Buried
191 S A 0.0000 Buried
192 S A 0.0000 Buried
193 V A 0.0000 Buried
194 V A 0.0000 Buried
195 T A -0.0947 Soluble
196 V A 0.0000 Buried
197 P A -0.6505 Soluble
198 S A -0.8793 Soluble
199 S A -0.7672 Soluble
200 S A -0.5868 Soluble
201 L A -0.7892 Soluble
202 G A -0.8151 Soluble
203 T A -0.7530 Soluble
204 K A -1.1687 Soluble
205 T A -1.2175 Soluble
206 Y A 0.0000 Buried
207 T A 0.0000 Buried
208 C A 0.0000 Buried
209 N A -1.8402 Soluble
210 V A 0.0000 Buried
211 D A -2.8081 Soluble
212 H A 0.0000 Buried
213 K A -3.0676 Soluble
214 P A -1.8690 Soluble
215 S A -1.9872 Soluble
216 N A -2.7254 Soluble
217 T A -2.3273 Soluble
218 K A -3.0361 Soluble
219 V A -1.7582 Soluble
220 D A -2.8372 Soluble
221 K A -2.1582 Soluble
222 R A -2.7697 Soluble
223 V A 0.0000 Buried
224 H A -2.1175 Soluble
225 H A -1.7985 Soluble
226 H A -1.4584 Soluble
227 H A -1.4151 Soluble
228 H A -1.9336 Soluble
1 D B -2.3544 Soluble
2 I B 0.0000 Buried
3 Q B -2.1585 Soluble
4 M B 0.0000 Buried
5 T B -1.4057 Soluble
6 Q B 0.0000 Buried
7 S B -0.8783 Soluble
8 P B -0.5193 Soluble
9 S B -0.8420 Soluble
10 S B -0.8556 Soluble
11 L B -0.6182 Soluble
12 S B -0.9847 Soluble
13 A B 0.0000 Buried
14 S B -0.4412 Soluble
15 V B 0.5015 Aggregation-prone
16 G B -0.5404 Soluble
17 D B -1.3590 Soluble
18 R B -2.1423 Soluble
19 V B 0.0000 Buried
20 T B -0.5872 Soluble
21 I B 0.0000 Buried
22 T B -0.7985 Soluble
23 C B 0.0000 Buried
24 R B -2.6575 Soluble
25 A B 0.0000 Buried
26 S B -1.7851 Soluble
27 Q B -1.6912 Soluble
28 S B -0.9957 Soluble
29 I B 0.0000 Buried
36 S B -0.3143 Soluble
37 S B 0.1278 Aggregation-prone
38 Y B 0.6894 Aggregation-prone
39 L B 0.0000 Buried
40 S B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B 0.0000 Buried
44 Q B 0.0000 Buried
45 K B -1.7337 Soluble
46 P B -1.4627 Soluble
47 G B -1.6398 Soluble
48 K B -2.6194 Soluble
49 A B -1.7297 Soluble
50 P B 0.0000 Buried
51 K B -1.7692 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.4952 Aggregation-prone
56 A B 0.5813 Aggregation-prone
57 A B 0.0000 Buried
65 S B -0.2533 Soluble
66 S B 0.2262 Aggregation-prone
67 L B 0.2887 Aggregation-prone
68 Q B -0.2428 Soluble
69 S B -0.3637 Soluble
70 G B -0.4735 Soluble
71 V B -0.3347 Soluble
72 P B -0.3129 Soluble
74 S B -0.4134 Soluble
75 R B -0.7447 Soluble
76 F B 0.0000 Buried
77 S B -0.2797 Soluble
78 G B -0.2648 Soluble
79 S B -0.6330 Soluble
80 G B -1.0488 Soluble
83 S B -1.0131 Soluble
84 G B -1.1843 Soluble
85 T B -1.6181 Soluble
86 D B -1.9283 Soluble
87 F B 0.0000 Buried
88 T B -0.7157 Soluble
89 L B 0.0000 Buried
90 T B -0.6123 Soluble
91 I B 0.0000 Buried
92 T B -1.3228 Soluble
93 S B -0.9412 Soluble
94 L B 0.0000 Buried
95 Q B -0.7499 Soluble
96 P B -0.8741 Soluble
97 E B -1.8772 Soluble
98 D B 0.0000 Buried
99 F B -0.6354 Soluble
100 A B 0.0000 Buried
101 T B 0.0000 Buried
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 Q B 0.0000 Buried
106 Q B 0.0000 Buried
107 S B 0.0000 Buried
108 Y B 0.8208 Aggregation-prone
109 S B -0.0802 Soluble
114 T B -0.6392 Soluble
115 P B 0.0000 Buried
116 R B -0.5235 Soluble
117 T B -0.8353 Soluble
118 F B 0.0000 Buried
119 G B 0.0000 Buried
120 Q B -1.4086 Soluble
121 G B 0.0000 Buried
122 T B 0.0000 Buried
123 K B -1.5002 Soluble
124 V B 0.0000 Buried
125 E B -1.3837 Soluble
126 I B -0.6794 Soluble
127 K B -1.4138 Soluble
128 R B -1.1188 Soluble
129 T B 0.1408 Aggregation-prone
130 V B 1.2110 Aggregation-prone
131 A B 0.6943 Aggregation-prone
132 A B 0.3973 Aggregation-prone
133 P B 0.0954 Aggregation-prone
134 S B -0.1959 Soluble
135 V B 0.0000 Buried
136 F B 0.0000 Buried
137 I B 0.0000 Buried
138 F B 0.0000 Buried
139 P B 0.0000 Buried
140 P B 0.0000 Buried
141 S B 0.0000 Buried
142 D B -3.2606 Soluble
143 E B -3.3558 Soluble
144 Q B 0.0000 Buried
145 L B -2.3836 Soluble
146 K B -2.9679 Soluble
147 S B -1.8514 Soluble
148 G B -1.5362 Soluble
149 T B -1.1695 Soluble
150 A B 0.0000 Buried
151 S B 0.0000 Buried
152 V B 0.0000 Buried
153 V B 0.0000 Buried
154 C B 0.0000 Buried
155 L B 0.0000 Buried
156 L B 0.0000 Buried
157 N B 0.0000 Buried
158 N B -0.8003 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.4182 Soluble
162 R B -2.9147 Soluble
163 E B -3.0898 Soluble
164 A B -2.2473 Soluble
165 K B -2.2120 Soluble
166 V B -1.2340 Soluble
167 Q B -0.6213 Soluble
168 W B 0.0000 Buried
169 K B -0.5644 Soluble
170 V B 0.0000 Buried
171 D B -1.4806 Soluble
172 N B -1.3372 Soluble
173 A B -0.1513 Soluble
174 L B 0.7172 Aggregation-prone
175 Q B -0.1213 Soluble
176 S B -0.4931 Soluble
177 G B -0.8791 Soluble
178 N B -0.7896 Soluble
179 S B -1.1649 Soluble
180 Q B -1.4726 Soluble
181 E B -2.0210 Soluble
182 S B -0.9106 Soluble
183 V B -0.9013 Soluble
184 T B -1.2091 Soluble
185 E B -2.3301 Soluble
186 Q B -1.9784 Soluble
187 D B -2.0671 Soluble
188 S B -1.8541 Soluble
189 K B -2.4334 Soluble
190 D B -1.9917 Soluble
191 S B -1.9150 Soluble
192 T B 0.0000 Buried
193 Y B 0.0000 Buried
194 S B 0.0000 Buried
195 L B 0.0000 Buried
196 S B 0.0000 Buried
197 S B 0.0000 Buried
198 T B -0.7045 Soluble
199 L B 0.0000 Buried
200 T B -0.5025 Soluble
201 L B -0.8092 Soluble
202 S B -1.2556 Soluble
203 K B -2.2756 Soluble
204 A B -2.1453 Soluble
205 D B -3.1055 Soluble
206 Y B 0.0000 Buried
207 E B -3.5302 Soluble
208 K B -3.7117 Soluble
209 H B -3.0026 Soluble
210 K B -3.1886 Soluble
211 V B -1.4896 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -0.5600 Soluble
216 V B 0.0000 Buried
217 T B -1.0027 Soluble
218 Q B -1.3497 Soluble
219 G B -1.0567 Soluble
220 T B -0.4358 Soluble
221 T B -0.2179 Soluble
222 S B -0.2355 Soluble
223 V B 0.3712 Aggregation-prone
224 T B -0.3848 Soluble
225 K B -0.8924 Soluble
226 S B -0.7107 Soluble
227 F B 0.0000 Buried
228 N B -1.6915 Soluble
229 R B -2.3689 Soluble
230 G B -2.1642 Soluble
231 E B -2.1750 Soluble
232 C B -0.6911 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 -0.8306 2.6776 CSV PDB
4.5 -0.8731 2.6781 CSV PDB
5.0 -0.922 2.6797 CSV PDB
5.5 -0.9667 2.6846 CSV PDB
6.0 -0.9953 2.6976 CSV PDB
6.5 -0.9981 2.7252 CSV PDB
7.0 -0.9761 2.7686 CSV PDB
7.5 -0.9393 2.8219 CSV PDB
8.0 -0.8955 2.8795 CSV PDB
8.5 -0.8463 2.9385 CSV PDB
9.0 -0.7923 2.9977 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH