Natalizumab / 4irz

A4DAB174_4irz_H_L | Source PDB: 4irz | Chains: H, L | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.7276
Max Score
1.1745
Min Score
-4.0977
Total Score
-307.75
Score CDR
-0.5588
Score non-CDR
-0.7497

Calculation Parameters

Chain Sequence(s) QVLVQSGAEVKKPGASVKVSCKASGFNIKDTYIHWVRQAPGQRLEWMGRIDPANGYTKYDPKFQGRVTITADTSASTAYMELSSLRSEDEAVYYAREGYYGNYGVYAMDYWGQGTLVTVSSASTKGPSVFPLAPCSSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVEQMTQSPSSLSASVGDRVTITCKTSQDINKYMAWYQQTPGKAPRLLIHYTSALQPGIPSRFSGSGSGRDYTFTISSLQPEDIATYYCLQYDNLWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR 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 -4.0977
Maximum Score 1.1745
Average Score -0.7276
Total Score -307.7545

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

Index Residue Chain A4D Score Classification
1 Q H -0.7806 Soluble
2 V H 0.3005 Aggregation-prone
4 L H 0.4684 Aggregation-prone
5 V H 0.9795 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.5683 Soluble
8 G H -1.0376 Soluble
9 A H -1.1130 Soluble
11 E H -1.8092 Soluble
12 V H -1.2631 Soluble
13 K H -2.0290 Soluble
14 K H -2.5299 Soluble
15 P H -2.3082 Soluble
16 G H -1.6320 Soluble
17 A H -1.2779 Soluble
18 S H -1.3816 Soluble
19 V H 0.0000 Buried
20 K H -1.9069 Soluble
21 V H 0.0000 Buried
22 S H -0.4293 Soluble
23 C H 0.0000 Buried
24 K H -0.7130 Soluble
25 A H 0.0000 Buried
26 S H -0.4069 Soluble
27 G H -0.3818 Soluble
28 F H -0.8298 Soluble
29 N H -2.0592 Soluble
30 I H 0.0000 Buried
35 K H -2.7890 Soluble
36 D H -2.4871 Soluble
37 T H 0.0000 Buried
38 Y H -0.1938 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 -0.5147 Soluble
44 Q H -0.8667 Soluble
45 A H -1.2588 Soluble
46 P H -1.2027 Soluble
47 G H -1.3460 Soluble
48 Q H -2.0749 Soluble
49 R H -1.8339 Soluble
50 L H 0.0000 Buried
51 E H -0.8004 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 R H -0.2470 Soluble
56 I H 0.0000 Buried
57 D H -0.8221 Soluble
58 P H 0.0000 Buried
59 A H -1.3927 Soluble
62 N H -1.2484 Soluble
63 G H -0.6476 Soluble
64 Y H 0.5283 Aggregation-prone
65 T H 0.0512 Aggregation-prone
66 K H -0.4825 Soluble
67 Y H -0.9836 Soluble
68 D H -1.2009 Soluble
69 P H -1.6642 Soluble
70 K H -2.3399 Soluble
71 F H 0.0000 Buried
72 Q H -2.2134 Soluble
74 G H -1.5033 Soluble
75 R H -1.2922 Soluble
76 V H 0.0000 Buried
77 T H -0.8412 Soluble
78 I H 0.0000 Buried
79 T H -0.1407 Soluble
80 A H -0.8217 Soluble
81 D H -1.1107 Soluble
82 T H -0.9884 Soluble
83 S H -0.4777 Soluble
84 A H -0.5986 Soluble
85 S H -1.1354 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.4411 Soluble
89 M H 0.0000 Buried
90 E H -1.3685 Soluble
91 L H 0.0000 Buried
92 S H -1.1036 Soluble
93 S H -1.1756 Soluble
94 L H 0.0000 Buried
95 R H -3.0319 Soluble
96 S H -2.5211 Soluble
97 E H -2.7053 Soluble
98 D H 0.0000 Buried
99 E H -1.5833 Soluble
100 A H 0.0000 Buried
101 V H 0.0884 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
105 A H 0.0000 Buried
106 R H 0.2544 Aggregation-prone
107 E H 0.0000 Buried
108 G H 0.0000 Buried
109 Y H 1.0636 Aggregation-prone
110 Y H 0.4496 Aggregation-prone
111 G H -0.4836 Soluble
111A N H -0.9983 Soluble
112B Y H 0.2203 Aggregation-prone
112A G H -0.2014 Soluble
112 V H 0.0000 Buried
113 Y H 1.1509 Aggregation-prone
114 A H 0.0000 Buried
115 M H 0.0000 Buried
116 D H 0.0000 Buried
117 Y H 0.4423 Aggregation-prone
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.0080 Soluble
121 G H -0.5404 Soluble
122 T H 0.0000 Buried
123 L H -0.3237 Soluble
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -1.4413 Soluble
128 S H -1.0583 Soluble
129 A H -0.6393 Soluble
130 S H -0.7304 Soluble
131 T H -0.7676 Soluble
132 K H -1.0898 Soluble
133 G H -1.3214 Soluble
134 P H -0.6116 Soluble
135 S H -0.2666 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.2759 Soluble
139 L H 0.0000 Buried
140 A H -0.7618 Soluble
141 P H -0.2869 Soluble
142 C H -0.3374 Soluble
143 S H -0.2548 Soluble
144 S H -0.3746 Soluble
145 T H -0.2307 Soluble
146 A H 0.0000 Buried
147 A H 0.0000 Buried
148 L H 0.0000 Buried
149 G H 0.0000 Buried
150 C H 0.0000 Buried
151 L H 0.0000 Buried
152 V H 0.0000 Buried
153 K H 0.0000 Buried
154 D H -0.4986 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H 0.0000 Buried
158 E H -0.7677 Soluble
159 P H -0.7432 Soluble
160 V H -0.5301 Soluble
161 T H -0.4918 Soluble
162 V H -0.3434 Soluble
163 S H -0.4651 Soluble
164 W H 0.0000 Buried
165 N H -0.9821 Soluble
166 S H -0.6979 Soluble
167 G H -0.5005 Soluble
168 A H -0.2200 Soluble
169 L H -0.0968 Soluble
170 T H -0.2053 Soluble
171 S H -0.2075 Soluble
172 G H -0.2713 Soluble
173 V H 0.1011 Aggregation-prone
174 H H -0.2491 Soluble
175 T H 0.0073 Aggregation-prone
176 F H 0.0000 Buried
177 P H -0.2742 Soluble
178 A H 0.2467 Aggregation-prone
179 V H 0.5781 Aggregation-prone
180 L H 1.1324 Aggregation-prone
181 Q H 0.1311 Aggregation-prone
182 S H -0.2086 Soluble
183 S H -0.3075 Soluble
184 G H -0.0887 Soluble
185 L H 0.0661 Aggregation-prone
186 Y H 0.4337 Aggregation-prone
187 S H 0.0000 Buried
188 L H 0.0000 Buried
189 S H 0.0000 Buried
190 S H 0.0000 Buried
191 V H 0.0000 Buried
192 V H 0.0000 Buried
193 T H -0.0535 Soluble
194 V H -0.0103 Soluble
195 P H -0.2672 Soluble
196 S H -0.2544 Soluble
197 S H -0.4642 Soluble
198 S H -0.5069 Soluble
199 L H -0.4033 Soluble
200 G H -0.8891 Soluble
201 T H -0.8123 Soluble
202 K H -1.3640 Soluble
203 T H -1.3943 Soluble
204 Y H 0.0000 Buried
205 T H -1.9278 Soluble
206 C H 0.0000 Buried
207 N H -1.6930 Soluble
208 V H 0.0000 Buried
209 D H -1.8646 Soluble
210 H H 0.0000 Buried
211 K H -2.9721 Soluble
212 P H -1.9483 Soluble
213 S H -1.9523 Soluble
214 N H -2.4558 Soluble
215 T H -2.2234 Soluble
216 K H -2.7535 Soluble
217 V H -1.9595 Soluble
218 D H -2.8524 Soluble
219 K H -2.4034 Soluble
220 R H -2.9651 Soluble
221 V H 0.0000 Buried
222 E H -2.2518 Soluble
3 Q L -1.4863 Soluble
4 M L -1.3643 Soluble
5 T L -1.0313 Soluble
6 Q L 0.0000 Buried
7 S L -0.5762 Soluble
8 P L -0.6495 Soluble
9 S L -0.9598 Soluble
10 S L -1.1320 Soluble
11 L L -0.7775 Soluble
12 S L -1.1866 Soluble
13 A L -1.1455 Soluble
14 S L -1.0391 Soluble
15 V L -0.2769 Soluble
16 G L -1.0679 Soluble
17 D L -2.1239 Soluble
18 R L -2.5029 Soluble
19 V L 0.0000 Buried
20 T L -0.6667 Soluble
21 I L 0.0000 Buried
22 T L -0.5884 Soluble
23 C L 0.0000 Buried
24 K L -2.7529 Soluble
25 T L 0.0000 Buried
26 S L -2.3380 Soluble
27 Q L -3.3308 Soluble
28 D L -4.0977 Soluble
29 I L 0.0000 Buried
36 N L -2.8775 Soluble
37 K L -2.3655 Soluble
38 Y L -1.0183 Soluble
39 M 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 T L -1.1046 Soluble
46 P L -1.2791 Soluble
47 G L -1.5391 Soluble
48 K L -2.3095 Soluble
49 A L -1.4392 Soluble
50 P L 0.0000 Buried
51 R L -1.0150 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 H L 0.0000 Buried
56 Y L 0.1586 Aggregation-prone
57 T L 0.0000 Buried
65 S L -0.2508 Soluble
66 A L 0.0000 Buried
67 L L 0.2885 Aggregation-prone
68 Q L 0.0000 Buried
69 P L -0.3383 Soluble
70 G L -0.4723 Soluble
71 I L -0.2629 Soluble
72 P L -0.2980 Soluble
74 S L -0.4221 Soluble
75 R L -0.7910 Soluble
76 F L 0.0000 Buried
77 S L -0.3192 Soluble
78 G L -0.2402 Soluble
79 S L -0.6909 Soluble
80 G L -1.3798 Soluble
83 S L -2.1113 Soluble
84 G L -3.0947 Soluble
85 R L -4.0713 Soluble
86 D L -2.7948 Soluble
87 Y L 0.0000 Buried
88 T L -0.5864 Soluble
89 F L 0.0000 Buried
90 T L -0.5886 Soluble
91 I L 0.0000 Buried
92 S L -1.3343 Soluble
93 S L -1.2351 Soluble
94 L L 0.0000 Buried
95 Q L -0.7868 Soluble
96 P L -1.7355 Soluble
97 E L -1.5481 Soluble
98 D L 0.0000 Buried
99 I L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -1.0289 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 L L 0.0000 Buried
106 Q L 0.0000 Buried
107 Y L 0.0000 Buried
108 D L -1.4946 Soluble
114 N L -1.3679 Soluble
115 L L -0.0429 Soluble
116 W L 0.0000 Buried
117 T L -0.3195 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.5307 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -2.1250 Soluble
124 V L 0.0000 Buried
125 E L -1.8498 Soluble
126 I L 0.0000 Buried
127 K L -1.1554 Soluble
128 R L -0.8650 Soluble
129 T L 0.2501 Aggregation-prone
130 V L 1.1745 Aggregation-prone
131 A L 0.4281 Aggregation-prone
132 A L 0.0018 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.1758 Soluble
135 V L 0.0000 Buried
136 F L -0.0031 Soluble
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.6795 Soluble
140 P L -1.0283 Soluble
141 S L -1.6033 Soluble
142 D L -2.9729 Soluble
143 E L -3.0037 Soluble
144 Q L 0.0000 Buried
145 L L -2.1738 Soluble
146 K L -3.0350 Soluble
147 S L -1.8815 Soluble
148 G L -1.3820 Soluble
149 T L -1.1903 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 -1.2795 Soluble
159 F L 0.0000 Buried
160 Y L -0.6776 Soluble
161 P L -1.0663 Soluble
162 R L -2.2676 Soluble
163 E L -2.7481 Soluble
164 A L -2.1072 Soluble
165 K L -2.2658 Soluble
166 V L -0.9845 Soluble
167 Q L -0.5419 Soluble
168 W L 0.0000 Buried
169 K L -0.6392 Soluble
170 V L 0.0000 Buried
171 D L -1.8070 Soluble
172 N L -1.3229 Soluble
173 A L -0.2812 Soluble
174 L L 0.7266 Aggregation-prone
175 Q L -0.1597 Soluble
176 S L -0.5599 Soluble
177 G L -0.9532 Soluble
178 N L -0.8858 Soluble
179 S L -1.2412 Soluble
180 Q L -1.6151 Soluble
181 E L -1.9911 Soluble
182 S L -0.9590 Soluble
183 V L -0.7782 Soluble
184 T L -0.8767 Soluble
185 E L -1.9809 Soluble
186 Q L 0.0000 Buried
187 D L -2.4240 Soluble
188 S L -2.2272 Soluble
189 K L -3.0543 Soluble
190 D L -3.0527 Soluble
191 S L 0.0000 Buried
192 T L -1.7443 Soluble
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 -0.7688 Soluble
199 L L 0.0000 Buried
200 T L -0.3306 Soluble
201 L L -0.5131 Soluble
202 S L -1.2178 Soluble
203 K L -2.3051 Soluble
204 A L -2.1637 Soluble
205 D L -2.9797 Soluble
206 Y L 0.0000 Buried
207 E L -3.3292 Soluble
208 K L -3.5019 Soluble
209 H L -3.0780 Soluble
210 K L -3.3538 Soluble
211 V L -2.1724 Soluble
212 Y L 0.0000 Buried
213 A L -0.8636 Soluble
214 C L 0.0000 Buried
215 E L -0.4055 Soluble
216 V L 0.0000 Buried
217 T L -0.8934 Soluble
218 H L 0.0000 Buried
219 Q L -1.5488 Soluble
220 G L -0.3085 Soluble
221 L L -0.0739 Soluble
222 S L -0.3380 Soluble
223 S L -0.1985 Soluble
224 P L 0.0504 Aggregation-prone
225 V L 0.6781 Aggregation-prone
226 T L -0.1874 Soluble
227 K L -0.6963 Soluble
228 S L -0.8023 Soluble
229 F L 0.0000 Buried
230 N L -2.5850 Soluble
231 R L -3.0908 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 -0.828 1.9579 CSV PDB
4.5 -0.8725 1.9579 CSV PDB
5.0 -0.9237 1.9579 CSV PDB
5.5 -0.9712 1.9579 CSV PDB
6.0 -1.0035 1.9579 CSV PDB
6.5 -1.0112 1.9579 CSV PDB
7.0 -0.9942 1.9579 CSV PDB
7.5 -0.9613 1.9579 CSV PDB
8.0 -0.9199 1.9579 CSV PDB
8.5 -0.872 1.9579 CSV PDB
9.0 -0.817 1.9579 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH