Rontalizumab / 4z5r

A4DAB228_4z5r_M_L | Source PDB: 4z5r | Chains: M, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7196
Max Score
1.4915
Min Score
-3.8099
Total Score
-309.43
Score CDR
-0.1318
Score non-CDR
-0.7935

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCATSGYTFTEYIIHWVRQAPGKGLEWVASINPDYDITNYNQRFKGRFTISLDKSKRTAYLQMNSLRAEDTAVYYCASWISDFFDYWGQGTLVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCRASQSVSTSSYSYMHWYQQKPGKAPKVLISYASNLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQHSWGIPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) M (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 -3.8099
Maximum Score 1.4915
Average Score -0.7196
Total Score -309.4318

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

Index Residue Chain A4D Score Classification
1 E M -2.1038 Soluble
2 V M -1.2680 Soluble
3 Q M -1.3542 Soluble
4 L M 0.0000 Buried
5 V M 0.4346 Aggregation-prone
6 E M 0.0000 Buried
7 S M -0.4732 Soluble
8 G M -0.8712 Soluble
9 G M -0.4027 Soluble
11 G M -0.2369 Soluble
12 L M 0.0474 Aggregation-prone
13 V M -0.5748 Soluble
14 Q M -1.5845 Soluble
15 P M -1.7375 Soluble
16 G M -1.4946 Soluble
17 G M -1.1529 Soluble
18 S M -1.4828 Soluble
19 L M -1.2321 Soluble
20 R M -2.3445 Soluble
21 L M 0.0000 Buried
22 S M -0.5066 Soluble
23 C M 0.0000 Buried
24 A M -0.3107 Soluble
25 T M 0.0000 Buried
26 S M -1.0124 Soluble
27 G M -1.3047 Soluble
28 Y M -0.8892 Soluble
29 T M -0.6573 Soluble
30 F M 0.0000 Buried
35 T M -1.4451 Soluble
36 E M -1.6899 Soluble
37 Y M -0.2824 Soluble
38 I M 0.4438 Aggregation-prone
39 I M 0.0000 Buried
40 H M 0.0000 Buried
41 W M 0.0000 Buried
42 V M 0.0000 Buried
43 R M 0.0000 Buried
44 Q M -0.6729 Soluble
45 A M -1.1490 Soluble
46 P M -0.9692 Soluble
47 G M -1.4686 Soluble
48 K M -2.2870 Soluble
49 G M -1.4911 Soluble
50 L M 0.0000 Buried
51 E M -0.6947 Soluble
52 W M 0.0000 Buried
53 V M 0.0000 Buried
54 A M 0.0000 Buried
55 S M 0.0000 Buried
56 I M 0.0000 Buried
57 N M -0.3479 Soluble
58 P M 0.0000 Buried
59 D M -1.9361 Soluble
62 Y M -0.0071 Soluble
63 D M -0.8583 Soluble
64 I M 0.7193 Aggregation-prone
65 T M 0.3097 Aggregation-prone
66 N M -0.2105 Soluble
67 Y M -1.1107 Soluble
68 N M -1.6022 Soluble
69 Q M -2.9001 Soluble
70 R M -3.0387 Soluble
71 F M 0.0000 Buried
72 K M -2.9903 Soluble
74 G M -2.0206 Soluble
75 R M -1.6903 Soluble
76 F M 0.0000 Buried
77 T M -1.1266 Soluble
78 I M 0.0000 Buried
79 S M -0.4401 Soluble
80 L M -0.9904 Soluble
81 D M -1.9020 Soluble
82 K M -2.6738 Soluble
83 S M -2.0162 Soluble
84 K M -2.6387 Soluble
85 R M -2.0140 Soluble
86 T M 0.0000 Buried
87 A M 0.0000 Buried
88 Y M -0.6486 Soluble
89 L M 0.0000 Buried
90 Q M -1.8325 Soluble
91 M M 0.0000 Buried
92 N M -1.7709 Soluble
93 S M -1.3981 Soluble
94 L M 0.0000 Buried
95 R M -2.4908 Soluble
96 A M -1.8214 Soluble
97 E M -2.2729 Soluble
98 D M 0.0000 Buried
99 T M -0.7267 Soluble
100 A M 0.0000 Buried
101 V M 0.2082 Aggregation-prone
102 Y M 0.0000 Buried
103 Y M 0.0000 Buried
104 C M 0.0000 Buried
105 A M 0.0000 Buried
106 S M 0.0000 Buried
107 W M 0.0000 Buried
108 I M 1.4915 Aggregation-prone
109 S M 0.7160 Aggregation-prone
113 D M 0.1762 Aggregation-prone
114 F M 0.3705 Aggregation-prone
115 F M 0.0000 Buried
116 D M -0.2310 Soluble
117 Y M 0.1357 Aggregation-prone
118 W M -0.4529 Soluble
119 G M 0.0000 Buried
120 Q M -1.4638 Soluble
121 G M 0.0000 Buried
122 T M -0.0869 Soluble
123 L M 0.0478 Aggregation-prone
124 V M 0.0000 Buried
125 T M -0.3954 Soluble
126 V M 0.0000 Buried
127 S M -0.7547 Soluble
128 S M -0.6872 Soluble
129 A M -0.4420 Soluble
130 S M -0.6040 Soluble
131 T M -0.7204 Soluble
132 K M -1.5657 Soluble
133 G M -1.6390 Soluble
134 P M -0.8273 Soluble
135 S M -0.3646 Soluble
136 V M 0.0000 Buried
137 F M 0.0000 Buried
138 P M -1.1753 Soluble
139 L M 0.0000 Buried
140 A M -0.9025 Soluble
141 P M 0.0000 Buried
142 S M -0.5361 Soluble
143 S M -0.5450 Soluble
144 G M -0.8356 Soluble
145 G M -0.8584 Soluble
146 T M -0.5676 Soluble
147 A M 0.0000 Buried
148 A M 0.0000 Buried
149 L M 0.0000 Buried
150 G M 0.0000 Buried
151 C M 0.0000 Buried
152 L M 0.0000 Buried
153 V M 0.0000 Buried
154 K M 0.0000 Buried
155 D M -0.5142 Soluble
156 Y M 0.0000 Buried
157 F M -0.3714 Soluble
158 P M 0.0000 Buried
159 E M -0.5659 Soluble
160 P M -0.8052 Soluble
161 V M 0.0000 Buried
162 T M -0.9325 Soluble
163 V M -0.6502 Soluble
164 S M -0.4968 Soluble
165 W M 0.0000 Buried
166 N M -0.7225 Soluble
167 S M -0.6245 Soluble
168 G M -0.4354 Soluble
169 A M -0.2131 Soluble
170 L M 0.0001 Aggregation-prone
171 T M -0.1644 Soluble
172 S M -0.2147 Soluble
173 G M -0.1478 Soluble
174 V M 0.1739 Aggregation-prone
175 H M -0.2030 Soluble
176 T M -0.0009 Soluble
177 F M 0.0000 Buried
178 P M -0.3671 Soluble
179 A M 0.1457 Aggregation-prone
180 V M 0.3687 Aggregation-prone
181 L M 1.1261 Aggregation-prone
182 Q M 0.2086 Aggregation-prone
183 S M -0.2219 Soluble
184 S M -0.2410 Soluble
185 G M 0.0535 Aggregation-prone
186 L M 0.1123 Aggregation-prone
187 Y M 0.3578 Aggregation-prone
188 S M 0.1988 Aggregation-prone
189 L M 0.0000 Buried
190 S M 0.0000 Buried
191 S M 0.0000 Buried
192 V M 0.0000 Buried
193 V M 0.0000 Buried
194 T M -0.1136 Soluble
195 V M 0.0000 Buried
196 P M -0.6474 Soluble
197 S M -0.6649 Soluble
198 S M -0.7466 Soluble
199 S M -0.7145 Soluble
200 L M -0.9765 Soluble
201 G M -1.1379 Soluble
202 T M -0.8789 Soluble
203 Q M -1.3195 Soluble
204 T M -1.1881 Soluble
205 Y M 0.0000 Buried
206 I M -1.1013 Soluble
207 C M 0.0000 Buried
208 N M -1.6542 Soluble
209 V M 0.0000 Buried
210 N M -2.8328 Soluble
211 H M 0.0000 Buried
212 K M -3.0038 Soluble
213 P M -1.7153 Soluble
214 S M -2.0142 Soluble
215 N M -2.8067 Soluble
216 T M -2.4064 Soluble
217 K M -3.1135 Soluble
218 V M -1.8100 Soluble
219 D M -2.5490 Soluble
220 K M -2.0972 Soluble
221 K M -2.2972 Soluble
222 V M 0.0000 Buried
223 E M -2.3452 Soluble
224 P M -1.2636 Soluble
1 D L -2.2046 Soluble
2 I L 0.0000 Buried
3 Q L -2.1754 Soluble
4 M L 0.0000 Buried
5 T L -1.2112 Soluble
6 Q L 0.0000 Buried
7 S L -0.7088 Soluble
8 P L -0.4765 Soluble
9 S L -0.7924 Soluble
10 S L -0.8013 Soluble
11 L L -0.5974 Soluble
12 S L -0.8360 Soluble
13 A L -1.0316 Soluble
14 S L -0.9687 Soluble
15 V L -0.2701 Soluble
16 G L -0.8365 Soluble
17 D L -1.8667 Soluble
18 R L -2.3274 Soluble
19 V L 0.0000 Buried
20 T L -0.6112 Soluble
21 I L 0.0000 Buried
22 T L -0.7575 Soluble
23 C L 0.0000 Buried
24 R L -2.1696 Soluble
25 A L 0.0000 Buried
26 S L -1.7669 Soluble
27 Q L -1.7980 Soluble
28 S L -0.9028 Soluble
29 V L 0.0000 Buried
30 S L 0.1455 Aggregation-prone
31 T L 0.2531 Aggregation-prone
34 S L -0.0280 Soluble
35 S L 0.2718 Aggregation-prone
36 Y L 1.2086 Aggregation-prone
37 S L 0.0000 Buried
38 Y L 0.6716 Aggregation-prone
39 M L 0.0000 Buried
40 H 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 K L -1.7895 Soluble
46 P L -1.4887 Soluble
47 G L -1.7969 Soluble
48 K L -2.5185 Soluble
49 A L -1.5430 Soluble
50 P L 0.0000 Buried
51 K L -1.6631 Soluble
52 V L -0.5396 Soluble
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 S L 0.0000 Buried
56 Y L 0.2470 Aggregation-prone
57 A L 0.0000 Buried
65 S L -0.6310 Soluble
66 N L -1.1332 Soluble
67 L L -0.2758 Soluble
68 E L -0.7213 Soluble
69 S L -0.5622 Soluble
70 G L -0.5293 Soluble
71 V L -0.3432 Soluble
72 P L -0.3403 Soluble
74 S L -0.4152 Soluble
75 R L -0.7925 Soluble
76 F L 0.0000 Buried
77 S L -0.5141 Soluble
78 G L -0.4751 Soluble
79 S L -0.8305 Soluble
80 G L -1.0485 Soluble
83 S L -0.6481 Soluble
84 G L -0.8471 Soluble
85 T L -1.5550 Soluble
86 D L -2.1882 Soluble
87 F L 0.0000 Buried
88 T L -0.7457 Soluble
89 L L 0.0000 Buried
90 T L -0.6073 Soluble
91 I L 0.0000 Buried
92 S L -1.3839 Soluble
93 S L -1.1556 Soluble
94 L L 0.0000 Buried
95 Q L -1.0147 Soluble
96 P L -1.8451 Soluble
97 E L -2.1335 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.7693 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 H L 0.0000 Buried
107 S L 0.0000 Buried
108 W L 0.2176 Aggregation-prone
109 G L 0.0401 Aggregation-prone
114 I L 0.2986 Aggregation-prone
115 P L 0.0000 Buried
116 R L -0.3488 Soluble
117 T L -0.6871 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.5732 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.4176 Soluble
124 V L 0.0000 Buried
125 E L -1.4520 Soluble
126 I L 0.0000 Buried
127 K L -1.3265 Soluble
128 R L -0.8917 Soluble
129 T L -0.0695 Soluble
130 V L 0.3404 Aggregation-prone
131 A L -0.0649 Soluble
132 A L -0.1516 Soluble
133 P L 0.0000 Buried
134 S L -0.1363 Soluble
135 V L 0.0000 Buried
136 F L -0.0044 Soluble
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.8558 Soluble
140 P L -0.9787 Soluble
141 S L -1.7538 Soluble
142 D L -3.0826 Soluble
143 E L -3.2406 Soluble
144 Q L 0.0000 Buried
145 L L -2.3994 Soluble
146 K L -2.9765 Soluble
147 S L -1.8976 Soluble
148 G L -1.1734 Soluble
149 T L -1.2711 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 -0.9633 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.7145 Soluble
162 R L -2.9977 Soluble
163 E L -3.1963 Soluble
164 A L -2.3686 Soluble
165 K L -2.4153 Soluble
166 V L -1.0623 Soluble
167 Q L -0.7896 Soluble
168 W L 0.0000 Buried
169 K L -0.5729 Soluble
170 V L 0.0000 Buried
171 D L -2.0625 Soluble
172 N L -1.5627 Soluble
173 A L -0.2462 Soluble
174 L L 0.7118 Aggregation-prone
175 Q L -0.2092 Soluble
176 S L -0.6107 Soluble
177 G L -1.0830 Soluble
178 N L -1.2193 Soluble
179 S L -1.3558 Soluble
180 Q L -1.5544 Soluble
181 E L -1.9680 Soluble
182 S L -1.0803 Soluble
183 V L -0.9209 Soluble
184 T L -1.2251 Soluble
185 E L -2.3442 Soluble
186 Q L 0.0000 Buried
187 D L -2.3596 Soluble
188 S L -2.4911 Soluble
189 K L -2.9174 Soluble
190 D L -2.5135 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 -0.7549 Soluble
199 L L 0.0000 Buried
200 T L -0.5056 Soluble
201 L L -0.8606 Soluble
202 S L -1.3122 Soluble
203 K L -2.4000 Soluble
204 A L -2.1675 Soluble
205 D L -3.1017 Soluble
206 Y L 0.0000 Buried
207 E L -3.6038 Soluble
208 K L -3.8099 Soluble
209 H L -3.2363 Soluble
210 K L -3.4498 Soluble
211 V L -1.7341 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.8223 Soluble
216 V L 0.0000 Buried
217 T L -1.1936 Soluble
218 H L 0.0000 Buried
219 Q L -1.7620 Soluble
220 G L -0.4631 Soluble
221 L L -0.2279 Soluble
222 S L -0.4688 Soluble
223 S L -0.4121 Soluble
224 P L -0.4925 Soluble
225 V L 0.1836 Aggregation-prone
226 T L -0.4232 Soluble
227 K L -0.7988 Soluble
228 S L -0.7900 Soluble
229 F L 0.0000 Buried
230 N L -2.3578 Soluble
231 R L -2.7635 Soluble
232 G L -2.2176 Soluble
233 E L -2.6298 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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
Load structure at specific pH condition
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 -0.7434 2.6426 CSV PDB
4.5 -0.792 2.4489 CSV PDB
5.0 -0.849 2.3105 CSV PDB
5.5 -0.9039 2.1622 CSV PDB
6.0 -0.9447 2.0217 CSV PDB
6.5 -0.962 1.9053 CSV PDB
7.0 -0.955 1.8199 CSV PDB
7.5 -0.9319 1.757 CSV PDB
8.0 -0.8998 1.706 CSV PDB
8.5 -0.8603 1.6634 CSV PDB
9.0 -0.8134 1.6309 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH