Bamlanivimab / 7kmg

A4DAB032_7kmg_D_E | Source PDB: 7kmg | Chains: D, E | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6478
Max Score
1.8341
Min Score
-3.6169
Total Score
-281.15
Score CDR
-0.0307
Score non-CDR
-0.7318

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGGTFSNYAISWVRQAPGQGLEWMGRIIPILGIANYAQKFQGRVTITADKSTSTAYMELSSLRSEDTAVYYCARGYYEARHYYYYYAMDVWGQGTAVTVSSASTKGPSVFPLAPCSSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVHHDIQMTQSPSSLSASVGDRVTITCRASQSISSYLSWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTITSLQPEDFATYYCQQSYSTPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTQGTTSVTKSFNRGEC input.pdb
Selected Chain(s) D (Heavy), E (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 -3.6169
Maximum Score 1.8341
Average Score -0.6478
Total Score -281.1491

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

Index Residue Chain A4D Score Classification
1 Q D -1.3579 Soluble
2 V D -0.7722 Soluble
3 Q D -1.0983 Soluble
4 L D 0.0000 Buried
5 V D 0.0117 Aggregation-prone
6 Q D 0.0000 Buried
7 S D -0.6375 Soluble
8 G D -0.6429 Soluble
9 A D -0.1406 Soluble
11 E D -0.2671 Soluble
12 V D 0.5387 Aggregation-prone
13 K D -1.0157 Soluble
14 K D -2.1703 Soluble
15 P D -2.0368 Soluble
16 G D -1.5575 Soluble
17 S D -1.2349 Soluble
18 S D -1.3983 Soluble
19 V D 0.0000 Buried
20 K D -2.0816 Soluble
21 V D 0.0000 Buried
22 S D -0.5836 Soluble
23 C D 0.0000 Buried
24 K D -0.9884 Soluble
25 A D 0.0000 Buried
26 S D -0.8068 Soluble
27 G D -1.0926 Soluble
28 G D -0.9224 Soluble
29 T D -0.7975 Soluble
30 F D 0.0000 Buried
35 S D -0.3396 Soluble
36 N D -0.4427 Soluble
37 Y D 0.0514 Aggregation-prone
38 A D 0.0000 Buried
39 I D 0.0000 Buried
40 S D 0.0000 Buried
41 W D 0.0000 Buried
42 V D 0.0000 Buried
43 R D -0.4609 Soluble
44 Q D -0.7101 Soluble
45 A D -1.0262 Soluble
46 P D -0.8711 Soluble
47 G D -1.2438 Soluble
48 Q D -1.8422 Soluble
49 G D -1.3220 Soluble
50 L D 0.0000 Buried
51 E D -0.7525 Soluble
52 W D 0.0000 Buried
53 M D 0.0000 Buried
54 G D 0.0000 Buried
55 R D -0.4665 Soluble
56 I D 0.0000 Buried
57 I D 0.0000 Buried
58 P D 0.0000 Buried
59 I D 1.0214 Aggregation-prone
62 L D 1.8341 Aggregation-prone
63 G D 0.5338 Aggregation-prone
64 I D 1.1989 Aggregation-prone
65 A D 0.0649 Aggregation-prone
66 N D -1.1100 Soluble
67 Y D -1.4191 Soluble
68 A D 0.0000 Buried
69 Q D -2.7731 Soluble
70 K D -2.7091 Soluble
71 F D 0.0000 Buried
72 Q D -2.5568 Soluble
74 G D -1.6734 Soluble
75 R D -1.4370 Soluble
76 V D 0.0000 Buried
77 T D -0.9922 Soluble
78 I D 0.0000 Buried
79 T D -0.4245 Soluble
80 A D -0.6690 Soluble
81 D D -1.9069 Soluble
82 K D -2.0280 Soluble
83 S D -1.3763 Soluble
84 T D -1.1494 Soluble
85 S D 0.0000 Buried
86 T D 0.0000 Buried
87 A D 0.0000 Buried
88 Y D -0.5558 Soluble
89 M D 0.0000 Buried
90 E D -1.5937 Soluble
91 L D 0.0000 Buried
92 S D -1.1844 Soluble
93 S D -1.1592 Soluble
94 L D 0.0000 Buried
95 R D -2.9517 Soluble
96 S D -2.3371 Soluble
97 E D -2.4822 Soluble
98 D D 0.0000 Buried
99 T D -0.8866 Soluble
100 A D 0.0000 Buried
101 V D 0.0366 Aggregation-prone
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 A D 0.0000 Buried
106 R D -0.2661 Soluble
107 G D 0.0000 Buried
108 Y D 0.0000 Buried
109 Y D 0.0486 Aggregation-prone
110 E D -0.6607 Soluble
111 A D -0.4152 Soluble
111A R D -1.4853 Soluble
111B H D -0.0420 Soluble
112C Y D 1.3018 Aggregation-prone
112B Y D 1.7162 Aggregation-prone
112A Y D 1.0436 Aggregation-prone
112 Y D 1.3654 Aggregation-prone
113 Y D 0.9845 Aggregation-prone
114 A D 0.0000 Buried
115 M D 0.0000 Buried
116 D D -0.5095 Soluble
117 V D -0.6180 Soluble
118 W D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.4396 Soluble
121 G D -0.8032 Soluble
122 T D 0.0000 Buried
123 A D 0.0063 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.5014 Soluble
126 V D 0.0000 Buried
127 S D -1.1796 Soluble
128 S D -1.0832 Soluble
129 A D -0.5286 Soluble
130 S D -0.6888 Soluble
131 T D -0.5576 Soluble
132 K D -1.1031 Soluble
133 G D -1.4903 Soluble
134 P D 0.0000 Buried
135 S D -0.3300 Soluble
136 V D 0.0000 Buried
137 F D 0.0000 Buried
138 P D 0.0000 Buried
139 L D 0.0000 Buried
140 A D -0.3627 Soluble
141 P D -0.1688 Soluble
142 C D -0.3335 Soluble
143 S D -0.6032 Soluble
144 S D -1.2387 Soluble
145 E D -2.1290 Soluble
146 S D -1.2745 Soluble
147 T D -0.8713 Soluble
148 A D -0.6082 Soluble
149 A D 0.0000 Buried
150 L D 0.0000 Buried
151 G D 0.0000 Buried
152 C D 0.0000 Buried
153 L D 0.0000 Buried
154 V D 0.0000 Buried
155 K D -0.2428 Soluble
156 D D -0.5237 Soluble
157 Y D 0.0000 Buried
158 F D 0.0000 Buried
159 P D 0.0000 Buried
160 E D -1.2362 Soluble
161 P D -1.4525 Soluble
162 V D -1.3382 Soluble
163 T D -1.0779 Soluble
164 V D -0.5950 Soluble
165 S D -0.5830 Soluble
166 W D 0.0000 Buried
167 N D -0.8572 Soluble
168 S D -0.6762 Soluble
169 G D -0.5732 Soluble
170 A D -0.2436 Soluble
171 L D -0.0582 Soluble
172 T D -0.1635 Soluble
173 S D -0.1686 Soluble
174 G D -0.1734 Soluble
175 V D 0.2151 Aggregation-prone
176 H D 0.0000 Buried
177 T D 0.0690 Aggregation-prone
178 F D 0.0000 Buried
179 P D -0.4194 Soluble
180 A D -0.1763 Soluble
181 V D 0.2466 Aggregation-prone
182 L D 0.9060 Aggregation-prone
183 Q D 0.1542 Aggregation-prone
184 S D -0.0899 Soluble
185 S D -0.2220 Soluble
186 G D -0.0228 Soluble
187 L D -0.0964 Soluble
188 Y D 0.0000 Buried
189 S D 0.0000 Buried
190 L D 0.0000 Buried
191 S D 0.0000 Buried
192 S D 0.0000 Buried
193 V D 0.0000 Buried
194 V D 0.0000 Buried
195 T D -0.0856 Soluble
196 V D 0.0000 Buried
197 P D -0.5810 Soluble
198 S D -0.7684 Soluble
199 S D -0.6968 Soluble
200 S D -0.5246 Soluble
201 L D -0.4438 Soluble
202 G D -0.8855 Soluble
203 T D -0.7344 Soluble
204 K D -1.2060 Soluble
205 T D -1.2174 Soluble
206 Y D 0.0000 Buried
207 T D -1.6270 Soluble
208 C D 0.0000 Buried
209 N D -1.7357 Soluble
210 V D 0.0000 Buried
211 D D -3.0452 Soluble
212 H D 0.0000 Buried
213 K D -3.1545 Soluble
214 P D -1.8679 Soluble
215 S D -1.9215 Soluble
216 N D -2.7333 Soluble
217 T D -2.3676 Soluble
218 K D -3.0434 Soluble
219 V D -1.5963 Soluble
220 D D -2.3777 Soluble
221 K D -2.0176 Soluble
222 R D -2.6994 Soluble
223 V D 0.0000 Buried
224 H D -1.7352 Soluble
225 H D -1.2297 Soluble
1 D E -2.2684 Soluble
2 I E 0.0000 Buried
3 Q E -2.1755 Soluble
4 M E 0.0000 Buried
5 T E -1.4067 Soluble
6 Q E 0.0000 Buried
7 S E -0.9256 Soluble
8 P E -0.6679 Soluble
9 S E -0.9170 Soluble
10 S E -0.8669 Soluble
11 L E -0.5514 Soluble
12 S E -0.8340 Soluble
13 A E 0.0000 Buried
14 S E -0.4432 Soluble
15 V E 0.4976 Aggregation-prone
16 G E -0.6121 Soluble
17 D E -1.5415 Soluble
18 R E -2.2263 Soluble
19 V E 0.0000 Buried
20 T E -0.6100 Soluble
21 I E 0.0000 Buried
22 T E -0.8639 Soluble
23 C E 0.0000 Buried
24 R E -2.6776 Soluble
25 A E 0.0000 Buried
26 S E -1.8018 Soluble
27 Q E -1.5701 Soluble
28 S E -1.0117 Soluble
29 I E 0.0000 Buried
36 S E -0.3355 Soluble
37 S E 0.0597 Aggregation-prone
38 Y E 0.5226 Aggregation-prone
39 L E 0.0000 Buried
40 S E 0.0000 Buried
41 W E 0.0000 Buried
42 Y E 0.0000 Buried
43 Q E 0.0000 Buried
44 Q E 0.0000 Buried
45 K E -1.9223 Soluble
46 P E -1.5852 Soluble
47 G E -1.6858 Soluble
48 K E -2.6384 Soluble
49 A E -1.6894 Soluble
50 P E 0.0000 Buried
51 K E -1.6824 Soluble
52 L E 0.0000 Buried
53 L E 0.0000 Buried
54 I E 0.0000 Buried
55 Y E 0.0000 Buried
56 A E 0.5534 Aggregation-prone
57 A E 0.0000 Buried
65 S E -0.3167 Soluble
66 S E 0.2118 Aggregation-prone
67 L E 0.2886 Aggregation-prone
68 Q E -0.3158 Soluble
69 S E -0.4247 Soluble
70 G E -0.5695 Soluble
71 V E 0.0000 Buried
72 P E -0.4037 Soluble
74 S E -0.4450 Soluble
75 R E -0.8020 Soluble
76 F E 0.0000 Buried
77 S E -0.2890 Soluble
78 G E -0.2960 Soluble
79 S E -0.7038 Soluble
80 G E -1.1494 Soluble
83 S E -0.8366 Soluble
84 G E -1.1073 Soluble
85 T E -1.6246 Soluble
86 D E -2.0253 Soluble
87 F E 0.0000 Buried
88 T E -0.7712 Soluble
89 L E 0.0000 Buried
90 T E -0.5937 Soluble
91 I E 0.0000 Buried
92 T E -1.3261 Soluble
93 S E -1.0169 Soluble
94 L E 0.0000 Buried
95 Q E -0.7537 Soluble
96 P E -0.7899 Soluble
97 E E -1.8622 Soluble
98 D E 0.0000 Buried
99 F E -0.6099 Soluble
100 A E 0.0000 Buried
101 T E 0.0000 Buried
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 Q E 0.0000 Buried
106 Q E 0.0000 Buried
107 S E 0.0000 Buried
108 Y E 0.5193 Aggregation-prone
109 S E -0.1807 Soluble
114 T E -0.7536 Soluble
115 P E -1.1844 Soluble
116 R E -0.5929 Soluble
117 T E -0.8798 Soluble
118 F E 0.0000 Buried
119 G E 0.0000 Buried
120 Q E -1.5458 Soluble
121 G E 0.0000 Buried
122 T E 0.0000 Buried
123 K E -1.8466 Soluble
124 V E 0.0000 Buried
125 E E -1.1395 Soluble
126 I E -0.3116 Soluble
127 K E -1.3544 Soluble
128 R E -1.0385 Soluble
129 T E 0.1445 Aggregation-prone
130 V E 1.2574 Aggregation-prone
131 A E 0.6878 Aggregation-prone
132 A E 0.4536 Aggregation-prone
133 P E 0.1956 Aggregation-prone
134 S E -0.0514 Soluble
135 V E 0.0907 Aggregation-prone
136 F E 0.0089 Aggregation-prone
137 I E 0.0000 Buried
138 F E 0.0000 Buried
139 P E -0.2966 Soluble
140 P E 0.0000 Buried
141 S E 0.0000 Buried
142 D E -2.9758 Soluble
143 E E -3.0724 Soluble
144 Q E 0.0000 Buried
145 L E -2.3131 Soluble
146 K E -2.8346 Soluble
147 S E -1.7480 Soluble
148 G E -1.3523 Soluble
149 T E -0.9993 Soluble
150 A E 0.0000 Buried
151 S E 0.0000 Buried
152 V E 0.0000 Buried
153 V E 0.0000 Buried
154 C E 0.0000 Buried
155 L E 0.0000 Buried
156 L E 0.0000 Buried
157 N E 0.0000 Buried
158 N E -0.6993 Soluble
159 F E 0.0000 Buried
160 Y E 0.0000 Buried
161 P E -1.1722 Soluble
162 R E -2.4275 Soluble
163 E E -2.8894 Soluble
164 A E -2.1863 Soluble
165 K E -2.3637 Soluble
166 V E -1.2280 Soluble
167 Q E -0.5927 Soluble
168 W E 0.0000 Buried
169 K E -0.4835 Soluble
170 V E 0.0000 Buried
171 D E -1.5537 Soluble
172 N E -1.3078 Soluble
173 A E -0.2443 Soluble
174 L E 0.6772 Aggregation-prone
175 Q E -0.3111 Soluble
176 S E -0.7045 Soluble
177 G E -1.3365 Soluble
178 N E -1.7241 Soluble
179 S E -1.6447 Soluble
180 Q E -1.6835 Soluble
181 E E -2.0285 Soluble
182 S E -1.0820 Soluble
183 V E -0.7830 Soluble
184 T E -1.1014 Soluble
185 E E -2.2032 Soluble
186 Q E -1.7469 Soluble
187 D E -1.8186 Soluble
188 S E -1.7226 Soluble
189 K E -2.2491 Soluble
190 D E -1.6963 Soluble
191 S E -1.6807 Soluble
192 T E 0.0000 Buried
193 Y E 0.0000 Buried
194 S E 0.0000 Buried
195 L E 0.0000 Buried
196 S E 0.0000 Buried
197 S E 0.0000 Buried
198 T E -0.8543 Soluble
199 L E 0.0000 Buried
200 T E -0.7473 Soluble
201 L E -0.8815 Soluble
202 S E -1.2601 Soluble
203 K E -2.1302 Soluble
204 A E -2.0202 Soluble
205 D E -2.7338 Soluble
206 Y E 0.0000 Buried
207 E E -3.6169 Soluble
208 K E -3.6012 Soluble
209 H E -2.9283 Soluble
210 K E -2.6897 Soluble
211 V E -1.3546 Soluble
212 Y E 0.0000 Buried
213 A E 0.0000 Buried
214 C E 0.0000 Buried
215 E E -0.4095 Soluble
216 V E 0.0000 Buried
217 T E -0.9958 Soluble
218 Q E -1.2721 Soluble
219 G E -1.0735 Soluble
220 T E -0.4283 Soluble
221 T E -0.1470 Soluble
222 S E -0.1065 Soluble
223 V E 0.6952 Aggregation-prone
224 T E -0.1406 Soluble
225 K E -0.7378 Soluble
226 S E -0.7559 Soluble
227 F E 0.0000 Buried
228 N E -1.5264 Soluble
229 R E -2.0511 Soluble
230 G E -1.8952 Soluble
231 E E -1.9111 Soluble
232 C E -0.3793 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 -0.7692 2.4881 CSV PDB
4.5 -0.808 2.489 CSV PDB
5.0 -0.8541 2.4917 CSV PDB
5.5 -0.8976 2.4995 CSV PDB
6.0 -0.927 2.5186 CSV PDB
6.5 -0.9333 2.5541 CSV PDB
7.0 -0.916 2.6035 CSV PDB
7.5 -0.8829 2.6601 CSV PDB
8.0 -0.8412 2.7195 CSV PDB
8.5 -0.7934 2.7796 CSV PDB
9.0 -0.7404 2.8397 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH