Natalizumab / 6fg1

A4DAB174_6fg1_H_L | Source PDB: 6fg1 | Chains: H, L | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.752
Max Score
1.3896
Min Score
-3.8046
Total Score
-322.61
Score CDR
-0.5659
Score non-CDR
-0.776

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGFNIKDTYIHWVRQAPGQRLEWMGRIDPANGYTKYDPKFQGRVTITADTSASTAYMELSSLRSEDEAVYYCAREGYYGNYGVYAMDYWGQGTLVTVSSASTKGPSVFPLAPCSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVEDIQMTQSPSSLSASVGDRVTITCKTSQDINKYMAWYQQTPGKAPRLLIHYTSALQPGIPSRFSGSGSGRDYTFTISSLQPEDIATYYCLQYDNLWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.8046
Maximum Score 1.3896
Average Score -0.752
Total Score -322.6064

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

Index Residue Chain A4D Score Classification
1 Q H -1.2622 Soluble
2 V H -0.5863 Soluble
3 Q H -1.3553 Soluble
4 L H 0.0000 Buried
5 V H -0.6580 Soluble
6 Q H 0.0000 Buried
7 S H -0.7426 Soluble
8 G H -0.9577 Soluble
9 A H -0.6134 Soluble
11 E H -0.9420 Soluble
12 V H -0.6173 Soluble
13 K H -1.7752 Soluble
14 K H -2.3784 Soluble
15 P H -2.0940 Soluble
16 G H -1.5339 Soluble
17 A H -1.2437 Soluble
18 S H -1.2945 Soluble
19 V H 0.0000 Buried
20 K H -1.7273 Soluble
21 V H 0.0000 Buried
22 S H -0.8499 Soluble
23 C H 0.0000 Buried
24 K H -1.5529 Soluble
25 A H 0.0000 Buried
26 S H -1.0688 Soluble
27 G H -0.8976 Soluble
28 F H -1.2060 Soluble
29 N H -2.2374 Soluble
30 I H 0.0000 Buried
35 K H -3.1943 Soluble
36 D H -2.7601 Soluble
37 T H 0.0000 Buried
38 Y H -0.3644 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 -0.6119 Soluble
44 Q H 0.0000 Buried
45 A H -1.2395 Soluble
46 P H -1.0753 Soluble
47 G H -1.5089 Soluble
48 Q H -2.0576 Soluble
49 R H -1.8134 Soluble
50 L H 0.0000 Buried
51 E H -0.9891 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 R H -0.6440 Soluble
56 I H 0.0000 Buried
57 D H -1.1632 Soluble
58 P H 0.0000 Buried
59 A H -1.6932 Soluble
62 N H -1.3660 Soluble
63 G H -0.7792 Soluble
64 Y H 0.2637 Aggregation-prone
65 T H -0.5002 Soluble
66 K H -1.4705 Soluble
67 Y H -1.4123 Soluble
68 D H -1.5351 Soluble
69 P H -1.8785 Soluble
70 K H -2.3337 Soluble
71 F H 0.0000 Buried
72 Q H -2.3286 Soluble
74 G H -1.4921 Soluble
75 R H -1.3268 Soluble
76 V H 0.0000 Buried
77 T H -0.9715 Soluble
78 I H 0.0000 Buried
79 T H -0.3181 Soluble
80 A H -0.8122 Soluble
81 D H -1.3158 Soluble
82 T H -1.3426 Soluble
83 S H -0.7207 Soluble
84 A H -0.6609 Soluble
85 S H -1.2363 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.6999 Soluble
89 M H 0.0000 Buried
90 E H -1.3951 Soluble
91 L H 0.0000 Buried
92 S H -1.0479 Soluble
93 S H -1.0519 Soluble
94 L H 0.0000 Buried
95 R H -3.0338 Soluble
96 S H -2.5153 Soluble
97 E H -2.8153 Soluble
98 D H 0.0000 Buried
99 E H -1.9489 Soluble
100 A H 0.0000 Buried
101 V H -0.0116 Soluble
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H -0.0317 Soluble
107 E H 0.0000 Buried
108 G H 0.0000 Buried
109 Y H 1.2108 Aggregation-prone
110 Y H 0.5916 Aggregation-prone
111 G H -0.3934 Soluble
111A N H -0.9106 Soluble
112B Y H 0.4306 Aggregation-prone
112A G H -0.0097 Soluble
112 V H 0.0000 Buried
113 Y H 1.3896 Aggregation-prone
114 A H 0.0000 Buried
115 M H 0.0000 Buried
116 D H 0.0000 Buried
117 Y H 0.1437 Aggregation-prone
118 W H -0.2763 Soluble
119 G H 0.0000 Buried
120 Q H -1.5203 Soluble
121 G H -0.6719 Soluble
122 T H 0.0000 Buried
123 L H 0.0716 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.6899 Soluble
126 V H -1.6657 Soluble
127 S H -1.2375 Soluble
128 S H -0.8982 Soluble
129 A H -0.5380 Soluble
130 S H -0.4414 Soluble
131 T H -0.5858 Soluble
132 K H -1.2501 Soluble
133 G H -1.4183 Soluble
134 P H -0.5805 Soluble
135 S H -0.4263 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.2446 Soluble
139 L H 0.0000 Buried
140 A H -0.4371 Soluble
141 P H -0.1856 Soluble
142 C H -0.0869 Soluble
143 S H -0.0847 Soluble
144 E H -2.0108 Soluble
145 S H -1.2463 Soluble
146 T H -0.8012 Soluble
147 A H -0.4207 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 -0.3970 Soluble
156 Y H 0.0000 Buried
157 F H -0.3739 Soluble
158 P H 0.0000 Buried
159 E H -0.5597 Soluble
160 P H -0.5166 Soluble
161 V H -0.5963 Soluble
162 T H -0.5674 Soluble
163 V H -0.1804 Soluble
164 S H -0.4783 Soluble
165 W H 0.0000 Buried
166 N H -0.9064 Soluble
167 S H -0.7583 Soluble
168 G H -0.5936 Soluble
169 A H -0.2507 Soluble
170 L H -0.0858 Soluble
171 T H -0.1938 Soluble
172 S H -0.2043 Soluble
173 G H -0.2367 Soluble
174 V H 0.1320 Aggregation-prone
175 H H -0.3013 Soluble
176 T H 0.0186 Aggregation-prone
177 F H 0.0000 Buried
178 P H -0.3556 Soluble
179 A H 0.1918 Aggregation-prone
180 V H 0.4351 Aggregation-prone
181 L H 1.2324 Aggregation-prone
182 Q H 0.3589 Aggregation-prone
183 S H -0.0402 Soluble
184 S H -0.2139 Soluble
185 G H 0.0574 Aggregation-prone
186 L H 0.1839 Aggregation-prone
187 Y H 0.4829 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 -0.1580 Soluble
195 V H 0.0000 Buried
196 P H -0.5193 Soluble
197 S H -0.6097 Soluble
198 S H -0.6114 Soluble
199 S H -0.4500 Soluble
200 L H -0.2628 Soluble
201 G H -0.8837 Soluble
202 T H -0.8006 Soluble
203 K H -1.4296 Soluble
204 T H -1.3901 Soluble
205 Y H 0.0000 Buried
206 T H 0.0000 Buried
207 C H 0.0000 Buried
208 N H -1.6553 Soluble
209 V H 0.0000 Buried
210 D H -1.8730 Soluble
211 H H 0.0000 Buried
212 K H -2.8801 Soluble
213 P H -1.6660 Soluble
214 S H -1.8075 Soluble
215 N H -2.5021 Soluble
216 T H -2.0575 Soluble
217 K H -2.6723 Soluble
218 V H -1.6497 Soluble
219 D H -2.5578 Soluble
220 K H -2.2995 Soluble
221 R H -2.8383 Soluble
222 V H 0.0000 Buried
223 E H -2.2390 Soluble
1 D L -2.0361 Soluble
2 I L -1.5633 Soluble
3 Q L -1.6953 Soluble
4 M L -1.1275 Soluble
5 T L -0.9666 Soluble
6 Q L 0.0000 Buried
7 S L -0.4967 Soluble
8 P L -0.6500 Soluble
9 S L -0.9289 Soluble
10 S L -1.1254 Soluble
11 L L -0.8522 Soluble
12 S L -1.1993 Soluble
13 A L -1.3026 Soluble
14 S L -1.2671 Soluble
15 V L -0.4356 Soluble
16 G L -1.0423 Soluble
17 D L -1.9608 Soluble
18 R L -2.4600 Soluble
19 V L 0.0000 Buried
20 T L -0.6284 Soluble
21 I L 0.0000 Buried
22 T L -0.6822 Soluble
23 C L 0.0000 Buried
24 K L -2.4869 Soluble
25 T L 0.0000 Buried
26 S L -1.9729 Soluble
27 Q L -2.6114 Soluble
28 D L -3.0730 Soluble
29 I L 0.0000 Buried
36 N L -2.3358 Soluble
37 K L -2.1691 Soluble
38 Y L -0.7134 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 -1.1750 Soluble
45 T L -1.5453 Soluble
46 P L -1.4442 Soluble
47 G L -1.7384 Soluble
48 K L -2.4255 Soluble
49 A L -1.5040 Soluble
50 P L 0.0000 Buried
51 R L -1.2696 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 0.1566 Aggregation-prone
57 T L 0.0000 Buried
65 S L -0.2509 Soluble
66 A L 0.1599 Aggregation-prone
67 L L 0.2934 Aggregation-prone
68 Q L 0.0000 Buried
69 P L -0.3332 Soluble
70 G L -0.4728 Soluble
71 I L -0.2747 Soluble
72 P L -0.2957 Soluble
74 S L -0.4331 Soluble
75 R L -0.8263 Soluble
76 F L 0.0000 Buried
77 S L -0.3122 Soluble
78 G L -0.2415 Soluble
79 S L -0.8263 Soluble
80 G L -1.6745 Soluble
83 S L -2.0713 Soluble
84 G L -2.7537 Soluble
85 R L -3.8046 Soluble
86 D L -3.4412 Soluble
87 Y L 0.0000 Buried
88 T L -0.7491 Soluble
89 F L 0.0000 Buried
90 T L -0.6365 Soluble
91 I L 0.0000 Buried
92 S L -1.5187 Soluble
93 S L -1.3966 Soluble
94 L L 0.0000 Buried
95 Q L -1.1737 Soluble
96 P L -1.8557 Soluble
97 E L -2.0994 Soluble
98 D L 0.0000 Buried
99 I L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -1.3540 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 -0.2589 Soluble
108 D L -1.2683 Soluble
114 N L -0.9890 Soluble
115 L L -0.3463 Soluble
116 W L 0.0000 Buried
117 T L -0.3903 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.5138 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -2.1901 Soluble
124 V L 0.0000 Buried
125 E L -2.0008 Soluble
126 I L 0.0000 Buried
127 K L -1.8807 Soluble
128 R L -1.1081 Soluble
129 T L -0.0405 Soluble
130 V L 0.6567 Aggregation-prone
131 A L 0.1655 Aggregation-prone
132 A L 0.0689 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.1193 Soluble
135 V L 0.0000 Buried
136 F L -0.0528 Soluble
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.4555 Soluble
140 P L 0.0000 Buried
141 S L -1.5568 Soluble
142 D L -2.8784 Soluble
143 E L -2.8744 Soluble
144 Q L 0.0000 Buried
145 L L -2.1592 Soluble
146 K L -2.7436 Soluble
147 S L -1.6765 Soluble
148 G L -1.1326 Soluble
149 T L -0.8931 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 -0.3185 Soluble
158 N L -0.7585 Soluble
159 F L 0.0000 Buried
160 Y L -1.0099 Soluble
161 P L -1.6776 Soluble
162 R L -3.0149 Soluble
163 E L -3.2027 Soluble
164 A L -2.2986 Soluble
165 K L -2.3974 Soluble
166 V L -1.0351 Soluble
167 Q L -0.4620 Soluble
168 W L 0.0000 Buried
169 K L -0.4103 Soluble
170 V L 0.0000 Buried
171 D L -1.3288 Soluble
172 N L -1.1414 Soluble
173 A L -0.1805 Soluble
174 L L 0.8181 Aggregation-prone
175 Q L -0.1926 Soluble
176 S L -0.5679 Soluble
177 G L -1.1831 Soluble
178 N L -1.3999 Soluble
179 S L -1.4352 Soluble
180 Q L -1.5259 Soluble
181 E L -1.8555 Soluble
182 S L -1.0628 Soluble
183 V L -1.0865 Soluble
184 T L 0.0000 Buried
185 E L -2.2074 Soluble
186 Q L 0.0000 Buried
187 D L -1.9117 Soluble
188 S L -2.2120 Soluble
189 K L -2.5872 Soluble
190 D L -1.7644 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 -0.8037 Soluble
199 L L 0.0000 Buried
200 T L -0.5922 Soluble
201 L L -0.7229 Soluble
202 S L -0.9613 Soluble
203 K L -1.9997 Soluble
204 A L -1.7741 Soluble
205 D L -2.2517 Soluble
206 Y L 0.0000 Buried
207 E L -3.5718 Soluble
208 K L -3.5208 Soluble
209 H L -2.9705 Soluble
210 K L -3.1133 Soluble
211 V L -1.5122 Soluble
212 Y L 0.0000 Buried
213 A L -0.8512 Soluble
214 C L 0.0000 Buried
215 E L -0.5898 Soluble
216 V L 0.0000 Buried
217 T L -1.1074 Soluble
218 H L 0.0000 Buried
219 Q L -1.6551 Soluble
220 G L -0.2958 Soluble
221 L L -0.1662 Soluble
222 S L -0.4245 Soluble
223 S L -0.3721 Soluble
224 P L -0.4309 Soluble
225 V L 0.1789 Aggregation-prone
226 T L -0.3712 Soluble
227 K L -0.6557 Soluble
228 S L -0.7480 Soluble
229 F L 0.0000 Buried
230 N L -2.0771 Soluble
231 R L -2.3377 Soluble
232 G L -1.2672 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 -0.8272 2.0094 CSV PDB
4.5 -0.8722 2.0094 CSV PDB
5.0 -0.9254 2.0094 CSV PDB
5.5 -0.9756 2.0094 CSV PDB
6.0 -1.0102 2.0094 CSV PDB
6.5 -1.0188 2.0094 CSV PDB
7.0 -1.0006 2.0094 CSV PDB
7.5 -0.9645 2.0094 CSV PDB
8.0 -0.919 2.0094 CSV PDB
8.5 -0.8671 2.0094 CSV PDB
9.0 -0.8085 2.0094 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH