Nesfrotamig / 6mxr

A4DAB178_6mxr_H_L | Source PDB: 6mxr | Chains: H, L | Done
93.51
Yes
10 Å
Yes
Avg A4D Score
-0.6875
Max Score
1.6883
Min Score
-3.2667
Total Score
-299.77
Score CDR
-0.3478
Score non-CDR
-0.7326

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTWIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGMMFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDIQMTQSPSSLSASVGDRVTITCRASQDIPRSISGYVAWYQQKPGKAPKLLIYWGSYLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYAEVTHQGLSSPVTKSFNRGEC 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 -3.2667
Maximum Score 1.6883
Average Score -0.6875
Total Score -299.7706

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

Index Residue Chain A4D Score Classification
1 E H -2.0267 Soluble
2 V H -1.1342 Soluble
3 Q H -1.2142 Soluble
4 L H 0.0000 Buried
5 V H 0.0765 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.6033 Soluble
8 G H -0.7910 Soluble
9 G H -0.4568 Soluble
11 G H -0.2913 Soluble
12 L H -0.0701 Soluble
13 V H 0.0000 Buried
14 Q H -1.6744 Soluble
15 P H -1.8107 Soluble
16 G H -1.5058 Soluble
17 G H -1.1528 Soluble
18 S H -1.2399 Soluble
19 L H -0.9968 Soluble
20 R H -1.7198 Soluble
21 L H 0.0000 Buried
22 S H -0.4460 Soluble
23 C H 0.0000 Buried
24 A H -0.3285 Soluble
25 A H -0.7123 Soluble
26 S H -1.0042 Soluble
27 G H -1.2790 Soluble
28 F H -1.4919 Soluble
29 N H -2.5726 Soluble
30 I H 0.0000 Buried
35 K H -3.0877 Soluble
36 D H -2.7995 Soluble
37 T H 0.0000 Buried
38 W H -0.1784 Soluble
39 I 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 -0.8172 Soluble
45 A H -1.2080 Soluble
46 P H -1.1508 Soluble
47 G H -1.4711 Soluble
48 K H -2.3556 Soluble
49 G H -1.6247 Soluble
50 L H 0.0000 Buried
51 E H -1.1234 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 R H 0.0000 Buried
56 I H 0.0000 Buried
57 Y H -0.4301 Soluble
58 P H -1.2257 Soluble
59 T H -1.4623 Soluble
62 N H -1.3891 Soluble
63 G H -0.6388 Soluble
64 Y H 0.1053 Aggregation-prone
65 T H -0.1178 Soluble
66 R H -0.7976 Soluble
67 Y H -1.1625 Soluble
68 A H 0.0000 Buried
69 D H -2.4798 Soluble
70 S H -1.5538 Soluble
71 V H 0.0000 Buried
72 K H -2.6362 Soluble
74 G H -1.7488 Soluble
75 R H -1.2912 Soluble
76 F H 0.0000 Buried
77 T H -0.8536 Soluble
78 I H 0.0000 Buried
79 S H -0.1120 Soluble
80 A H -0.8414 Soluble
81 D H -1.2977 Soluble
82 T H -1.8395 Soluble
83 S H -1.5779 Soluble
84 K H -2.1789 Soluble
85 N H -1.8155 Soluble
86 T H -0.9159 Soluble
87 A H 0.0000 Buried
88 Y H -0.4152 Soluble
89 L H 0.0000 Buried
90 Q H -1.0507 Soluble
91 M H 0.0000 Buried
92 N H -1.4228 Soluble
93 S H -1.3034 Soluble
94 L H 0.0000 Buried
95 R H -2.4068 Soluble
96 A H -1.7850 Soluble
97 E H -2.2665 Soluble
98 D H 0.0000 Buried
99 T H -0.7774 Soluble
100 A H 0.0000 Buried
101 V H 0.1966 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 S H 0.0000 Buried
106 R H 0.0609 Aggregation-prone
107 W H 0.0000 Buried
108 G H 0.0000 Buried
109 G H -0.0440 Soluble
110 M H 1.0001 Aggregation-prone
111 M H 1.0544 Aggregation-prone
112 F H 1.4419 Aggregation-prone
113 Y H 1.0051 Aggregation-prone
114 A H 0.0000 Buried
115 M H 0.0000 Buried
116 D H -0.0436 Soluble
117 Y H 0.0557 Aggregation-prone
118 W H -0.3678 Soluble
119 G H 0.0000 Buried
120 Q H -1.4991 Soluble
121 G H -0.7646 Soluble
122 T H -0.1706 Soluble
123 L H 0.0811 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.4569 Soluble
126 V H 0.0000 Buried
127 S H -1.0134 Soluble
128 S H -0.7198 Soluble
129 A H -0.4564 Soluble
130 S H -0.5748 Soluble
131 T H -0.7298 Soluble
132 K H -1.2139 Soluble
133 G H -1.4184 Soluble
134 P H 0.0000 Buried
135 S H -0.4375 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.3201 Soluble
139 L H 0.0000 Buried
140 A H -1.2754 Soluble
141 P H 0.0000 Buried
142 S H -0.6998 Soluble
143 S H -0.4226 Soluble
144 G H -0.8424 Soluble
145 G H -0.8494 Soluble
146 T H -0.5577 Soluble
147 A H -0.3099 Soluble
148 A H 0.0000 Buried
149 L H 0.0000 Buried
150 G H 0.0000 Buried
151 C H 0.0000 Buried
152 L H 0.0000 Buried
153 V H 0.0000 Buried
154 K H 0.0000 Buried
155 D H -0.3763 Soluble
156 Y H 0.0000 Buried
157 F H 0.0000 Buried
158 P H 0.0000 Buried
159 E H -0.4407 Soluble
160 P H -0.7561 Soluble
161 V H -0.7728 Soluble
162 T H -0.6625 Soluble
163 V H -0.4299 Soluble
164 S H -0.4466 Soluble
165 W H 0.0000 Buried
166 N H -0.7393 Soluble
167 S H -0.6757 Soluble
168 G H -0.5826 Soluble
169 A H -0.2544 Soluble
170 L H -0.0104 Soluble
171 T H -0.1832 Soluble
172 S H -0.1848 Soluble
173 G H -0.2214 Soluble
174 V H 0.1560 Aggregation-prone
175 H H -0.3610 Soluble
176 T H -0.1859 Soluble
177 F H 0.0000 Buried
178 P H -0.3902 Soluble
179 A H 0.1841 Aggregation-prone
180 V H 0.4482 Aggregation-prone
181 L H 1.0828 Aggregation-prone
182 Q H 0.2235 Aggregation-prone
183 S H -0.0942 Soluble
184 S H -0.2329 Soluble
185 G H -0.0004 Soluble
186 L H 0.1315 Aggregation-prone
187 Y H 0.4320 Aggregation-prone
188 S H 0.0000 Buried
189 L H 0.0000 Buried
190 S H 0.0000 Buried
191 S H 0.0000 Buried
192 V H 0.0000 Buried
193 V H 0.0000 Buried
194 T H -0.1273 Soluble
195 V H 0.0000 Buried
196 P H -0.6662 Soluble
197 S H -0.6635 Soluble
198 S H -0.7294 Soluble
199 S H -0.6496 Soluble
200 L H -0.8212 Soluble
201 G H -0.9701 Soluble
202 T H -0.7344 Soluble
203 Q H -1.2592 Soluble
204 T H -1.0833 Soluble
205 Y H 0.0000 Buried
206 I H -1.1907 Soluble
207 C H 0.0000 Buried
208 N H -1.5182 Soluble
209 V H 0.0000 Buried
210 N H -2.2200 Soluble
211 H H 0.0000 Buried
212 K H -2.8602 Soluble
213 P H -1.6686 Soluble
214 S H -1.8625 Soluble
215 N H -2.6734 Soluble
216 T H -2.1504 Soluble
217 K H -2.7939 Soluble
218 V H -1.6249 Soluble
219 D H -2.5289 Soluble
220 K H -2.1171 Soluble
221 K H -2.3425 Soluble
222 V H 0.0000 Buried
223 E H -2.8526 Soluble
224 P H -1.9435 Soluble
225 K H -2.1279 Soluble
226 S H -0.8302 Soluble
227 C H 0.1074 Aggregation-prone
1 D L -1.9701 Soluble
2 I L -1.3431 Soluble
3 Q L -1.5499 Soluble
4 M L 0.0000 Buried
5 T L -1.2749 Soluble
6 Q L 0.0000 Buried
7 S L -0.8005 Soluble
8 P L -0.4539 Soluble
9 S L -0.7864 Soluble
10 S L -0.6944 Soluble
11 L L -0.4198 Soluble
12 S L -0.6724 Soluble
13 A L -0.9289 Soluble
14 S L -0.8816 Soluble
15 V L -0.1951 Soluble
16 G L -0.8237 Soluble
17 D L -1.8888 Soluble
18 R L -2.3716 Soluble
19 V L 0.0000 Buried
20 T L -0.6342 Soluble
21 I L 0.0000 Buried
22 T L -0.8673 Soluble
23 C L 0.0000 Buried
24 R L -2.8707 Soluble
25 A L 0.0000 Buried
26 S L -1.9694 Soluble
27 Q L -2.4868 Soluble
28 D L -2.7551 Soluble
29 I L 0.0000 Buried
30 P L -1.4053 Soluble
31 R L -1.9885 Soluble
34 S L -0.5589 Soluble
35 I L 0.6298 Aggregation-prone
36 S L 0.2144 Aggregation-prone
37 G L 0.0000 Buried
38 Y L 0.9273 Aggregation-prone
39 V 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 -1.2617 Soluble
45 K L -1.8829 Soluble
46 P L -1.4863 Soluble
47 G L -1.7764 Soluble
48 K L -2.5426 Soluble
49 A L -1.5437 Soluble
50 P L 0.0000 Buried
51 K L -1.2326 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 1.1690 Aggregation-prone
56 W L 1.1134 Aggregation-prone
57 G L 0.4385 Aggregation-prone
65 S L 0.6395 Aggregation-prone
66 Y L 1.6883 Aggregation-prone
67 L L 1.3187 Aggregation-prone
68 Y L 0.5521 Aggregation-prone
69 S L -0.0406 Soluble
70 G L -0.4563 Soluble
71 V L 0.0000 Buried
72 P L -0.3404 Soluble
74 S L -0.3895 Soluble
75 R L -0.7858 Soluble
76 F L 0.0000 Buried
77 S L 0.0070 Aggregation-prone
78 G L 0.0569 Aggregation-prone
79 S L -0.5732 Soluble
80 G L -1.2781 Soluble
83 S L -1.0446 Soluble
84 G L -1.8916 Soluble
85 T L -2.2527 Soluble
86 D L -2.2504 Soluble
87 F L -1.3256 Soluble
88 T L -0.7767 Soluble
89 L L 0.0000 Buried
90 T L -0.6046 Soluble
91 I L 0.0000 Buried
92 S L -1.3581 Soluble
93 S L -1.1564 Soluble
94 L L 0.0000 Buried
95 Q L -1.0854 Soluble
96 P L -1.6447 Soluble
97 E L -2.1186 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.8613 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 H L 0.0000 Buried
108 Y L 0.5005 Aggregation-prone
109 T L -0.0877 Soluble
114 T L -0.1176 Soluble
115 P L -0.3799 Soluble
116 P L 0.0000 Buried
117 T L -0.3847 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.6258 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.4257 Soluble
124 V L 0.0000 Buried
125 E L -1.1176 Soluble
126 I L 0.0000 Buried
127 K L -1.2747 Soluble
128 R L -0.8886 Soluble
129 T L -0.1159 Soluble
130 V L 0.3619 Aggregation-prone
131 A L -0.0059 Soluble
132 A L -0.1392 Soluble
133 P L 0.0000 Buried
134 S L -0.1491 Soluble
135 V L 0.0000 Buried
136 F L 0.0792 Aggregation-prone
137 I L 0.0298 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.4844 Soluble
140 P L 0.0000 Buried
141 S L -1.9568 Soluble
142 D L -3.0976 Soluble
143 E L -3.2667 Soluble
144 Q L 0.0000 Buried
145 L L -2.3725 Soluble
146 K L -2.9350 Soluble
147 S L -1.8500 Soluble
148 G L -1.3152 Soluble
149 T L -1.0735 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 -0.9282 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.4402 Soluble
162 R L -2.3920 Soluble
163 E L -2.9051 Soluble
164 A L -2.1450 Soluble
165 K L -2.4011 Soluble
166 V L -1.1915 Soluble
167 Q L -0.9433 Soluble
168 W L 0.0000 Buried
169 K L -0.6733 Soluble
170 V L 0.0000 Buried
171 D L -1.7255 Soluble
172 N L -1.4734 Soluble
173 A L -0.2616 Soluble
174 L L 0.6404 Aggregation-prone
175 Q L -0.1937 Soluble
176 S L -0.4589 Soluble
177 G L -0.9581 Soluble
178 N L -0.9343 Soluble
179 S L -1.2482 Soluble
180 Q L -1.5068 Soluble
181 E L -1.9979 Soluble
182 S L -1.1265 Soluble
183 V L -0.9041 Soluble
184 T L -1.1868 Soluble
185 E L -2.2758 Soluble
186 Q L 0.0000 Buried
187 D L -2.2876 Soluble
188 S L -2.4448 Soluble
189 K L -2.7592 Soluble
190 D L -2.1829 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 -0.7343 Soluble
199 L L 0.0000 Buried
200 T L -0.3676 Soluble
201 L L -0.6303 Soluble
202 S L -0.9767 Soluble
203 K L -1.9228 Soluble
204 A L -1.6947 Soluble
205 D L -2.3022 Soluble
206 Y L 0.0000 Buried
207 E L -2.7643 Soluble
208 K L -3.1546 Soluble
209 H L -2.4855 Soluble
210 K L -2.2087 Soluble
211 V L -0.7584 Soluble
212 Y L 0.0000 Buried
213 A L -0.8198 Soluble
215 E L -1.2301 Soluble
216 V L 0.0000 Buried
217 T L -1.2589 Soluble
218 H L 0.0000 Buried
219 Q L -1.6706 Soluble
220 G L -0.4258 Soluble
221 L L -0.1956 Soluble
222 S L -0.4513 Soluble
223 S L -0.4057 Soluble
224 P L -0.5865 Soluble
225 V L 0.0118 Aggregation-prone
226 T L -0.6426 Soluble
227 K L -0.8989 Soluble
228 S L -0.5808 Soluble
229 F L -0.6363 Soluble
230 N L -1.3515 Soluble
231 R L -1.9004 Soluble
232 G L -1.6057 Soluble
233 E L -1.9135 Soluble
234 C L -0.5246 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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Downloads
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 -0.689 2.8253 CSV PDB
4.5 -0.7346 2.8197 CSV PDB
5.0 -0.7868 2.814 CSV PDB
5.5 -0.8358 2.8082 CSV PDB
6.0 -0.8702 2.8025 CSV PDB
6.5 -0.8808 2.7968 CSV PDB
7.0 -0.8676 2.7912 CSV PDB
7.5 -0.8388 2.786 CSV PDB
8.0 -0.8013 2.7818 CSV PDB
8.5 -0.7569 2.7789 CSV PDB
9.0 -0.7055 2.7771 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH