Rontalizumab / 4z5r

A4DAB228_4z5r_B_A | Source PDB: 4z5r | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6797
Max Score
1.3891
Min Score
-3.3128
Total Score
-292.28
Score CDR
-0.1563
Score non-CDR
-0.7455

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCATSGYTFTEYIIHWVRQAPGKGLEWVASINPDYDITNYNQRFKGRFTISLDKSKRTAYLQMNSLRAEDTAVYYCASWISDFFDYWGQGTLVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCRASQSVSTSSYSYMHWYQQKPGKAPKVLISYASNLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQHSWGIPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) B (Heavy), A (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 -3.3128
Maximum Score 1.3891
Average Score -0.6797
Total Score -292.2777

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

Index Residue Chain A4D Score Classification
1 E B -2.1089 Soluble
2 V B -1.2672 Soluble
3 Q B -1.3499 Soluble
4 L B 0.0000 Buried
5 V B 0.4791 Aggregation-prone
6 E B 0.0000 Buried
7 S B -0.5297 Soluble
8 G B -0.9611 Soluble
9 G B -0.5832 Soluble
11 G B -0.3837 Soluble
12 L B -0.1258 Soluble
13 V B -0.7010 Soluble
14 Q B -1.6379 Soluble
15 P B -1.8916 Soluble
16 G B -1.6533 Soluble
17 G B -1.3566 Soluble
18 S B -1.6955 Soluble
19 L B -1.4513 Soluble
20 R B -2.3475 Soluble
21 L B 0.0000 Buried
22 S B -0.5169 Soluble
23 C B 0.0000 Buried
24 A B -0.3091 Soluble
25 T B 0.0000 Buried
26 S B -0.8365 Soluble
27 G B -1.3050 Soluble
28 Y B -0.8934 Soluble
29 T B -0.6579 Soluble
30 F B 0.0000 Buried
35 T B -1.4692 Soluble
36 E B -1.7491 Soluble
37 Y B -0.3575 Soluble
38 I B 0.3891 Aggregation-prone
39 I B 0.0000 Buried
40 H B 0.0000 Buried
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 R B 0.0000 Buried
44 Q B -0.6760 Soluble
45 A B -1.1253 Soluble
46 P B -0.9602 Soluble
47 G B -1.4418 Soluble
48 K B -2.2855 Soluble
49 G B -1.5190 Soluble
50 L B 0.0000 Buried
51 E B -0.7079 Soluble
52 W B 0.0000 Buried
53 V B 0.0000 Buried
54 A B 0.0000 Buried
55 S B 0.0000 Buried
56 I B 0.0000 Buried
57 N B -0.3435 Soluble
58 P B 0.0000 Buried
59 D B -1.9282 Soluble
62 Y B 0.0078 Aggregation-prone
63 D B -0.8238 Soluble
64 I B 0.7814 Aggregation-prone
65 T B 0.3506 Aggregation-prone
66 N B -0.1766 Soluble
67 Y B -1.0982 Soluble
68 N B -1.5964 Soluble
69 Q B -2.7129 Soluble
70 R B -3.0429 Soluble
71 F B 0.0000 Buried
72 K B -3.0019 Soluble
74 G B -2.1100 Soluble
75 R B -1.8549 Soluble
76 F B 0.0000 Buried
77 T B -1.0981 Soluble
78 I B 0.0000 Buried
79 S B -0.3501 Soluble
80 L B -0.9913 Soluble
81 D B -1.9132 Soluble
82 K B -2.6666 Soluble
83 S B -2.0220 Soluble
84 K B -2.6398 Soluble
85 R B -2.0260 Soluble
86 T B 0.0000 Buried
87 A B 0.0000 Buried
88 Y B 0.0000 Buried
89 L B 0.0000 Buried
90 Q B -1.6517 Soluble
91 M B 0.0000 Buried
92 N B -2.2585 Soluble
93 S B -1.6721 Soluble
94 L B 0.0000 Buried
95 R B -2.5781 Soluble
96 A B -1.8339 Soluble
97 E B -2.2809 Soluble
98 D B 0.0000 Buried
99 T B -0.7263 Soluble
100 A B 0.0000 Buried
101 V B 0.1788 Aggregation-prone
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 A B 0.0000 Buried
106 S B 0.0000 Buried
107 W B 0.0000 Buried
108 I B 1.2554 Aggregation-prone
109 S B 0.6198 Aggregation-prone
113 D B 0.1483 Aggregation-prone
114 F B 0.3551 Aggregation-prone
115 F B 0.0000 Buried
116 D B -0.1270 Soluble
117 Y B 0.1603 Aggregation-prone
118 W B -0.4127 Soluble
119 G B 0.0000 Buried
120 Q B -1.4598 Soluble
121 G B -0.6813 Soluble
122 T B -0.1665 Soluble
123 L B -0.0455 Soluble
124 V B 0.0000 Buried
125 T B -0.5044 Soluble
126 V B 0.0000 Buried
127 S B -0.9882 Soluble
128 S B -0.7333 Soluble
129 A B -0.4838 Soluble
130 S B -0.6050 Soluble
131 T B -0.6612 Soluble
132 K B -1.3284 Soluble
133 G B -1.4237 Soluble
134 P B -0.6294 Soluble
135 S B -0.2503 Soluble
136 V B 0.0000 Buried
137 F B -0.6260 Soluble
138 P B -0.9841 Soluble
139 L B 0.0000 Buried
140 A B -0.5513 Soluble
141 P B -0.5282 Soluble
142 S B -0.5312 Soluble
143 S B -0.5101 Soluble
144 G B -0.9060 Soluble
145 G B -0.8635 Soluble
146 T B -0.5425 Soluble
147 A B -0.3758 Soluble
148 A B 0.0000 Buried
149 L B 0.0000 Buried
150 G B 0.0000 Buried
151 C B 0.0000 Buried
152 L B 0.0000 Buried
153 V B 0.0000 Buried
154 K B 0.0000 Buried
155 D B -0.5213 Soluble
156 Y B 0.0000 Buried
157 F B 0.0000 Buried
158 P B 0.0000 Buried
159 E B -0.7709 Soluble
160 P B -0.7625 Soluble
161 V B -0.6832 Soluble
162 T B -0.6327 Soluble
163 V B 0.0000 Buried
164 S B -0.5590 Soluble
165 W B 0.0000 Buried
166 N B -0.7552 Soluble
167 S B -0.6688 Soluble
168 G B -0.5862 Soluble
169 A B -0.2154 Soluble
170 L B 0.0259 Aggregation-prone
171 T B -0.2139 Soluble
172 S B -0.2498 Soluble
173 G B -0.2099 Soluble
174 V B 0.0479 Aggregation-prone
175 H B -0.1640 Soluble
176 T B -0.0309 Soluble
177 F B 0.0000 Buried
178 P B -0.1561 Soluble
179 A B 0.3130 Aggregation-prone
180 V B 0.6276 Aggregation-prone
181 L B 1.3891 Aggregation-prone
182 Q B 0.2656 Aggregation-prone
183 S B -0.2989 Soluble
184 S B -0.2189 Soluble
185 G B 0.0378 Aggregation-prone
186 L B 0.1424 Aggregation-prone
187 Y B 0.5344 Aggregation-prone
188 S B 0.3265 Aggregation-prone
189 L B 0.1906 Aggregation-prone
190 S B 0.0000 Buried
191 S B 0.0000 Buried
192 V B 0.0000 Buried
193 V B 0.0000 Buried
194 T B -0.0552 Soluble
195 V B 0.0516 Aggregation-prone
196 P B -0.3102 Soluble
197 S B -0.3683 Soluble
198 S B -0.1550 Soluble
199 S B 0.1968 Aggregation-prone
200 L B 0.6799 Aggregation-prone
201 G B -0.1255 Soluble
202 T B -0.5618 Soluble
203 Q B -1.0976 Soluble
204 T B -0.8685 Soluble
205 Y B -0.6263 Soluble
206 I B -1.2366 Soluble
207 C B 0.0000 Buried
208 N B -1.5469 Soluble
209 V B 0.0000 Buried
210 N B -1.9131 Soluble
211 H B 0.0000 Buried
212 K B -2.7054 Soluble
213 P B -1.6196 Soluble
214 S B -1.8438 Soluble
215 N B -2.5305 Soluble
216 T B -2.0273 Soluble
217 K B -2.7119 Soluble
218 V B -1.8704 Soluble
219 D B -2.6531 Soluble
220 K B -2.0653 Soluble
221 K B -2.3703 Soluble
222 V B 0.0000 Buried
223 E B -2.0288 Soluble
224 P B -0.9162 Soluble
1 D A -2.0557 Soluble
2 I A 0.0000 Buried
3 Q A -2.1777 Soluble
4 M A 0.0000 Buried
5 T A -1.2322 Soluble
6 Q A 0.0000 Buried
7 S A -0.6954 Soluble
8 P A -0.4558 Soluble
9 S A -0.7740 Soluble
10 S A -0.6772 Soluble
11 L A -0.4808 Soluble
12 S A -0.8735 Soluble
13 A A -1.0955 Soluble
14 S A -1.1082 Soluble
15 V A -0.3791 Soluble
16 G A -0.9212 Soluble
17 D A -2.0063 Soluble
18 R A -2.3821 Soluble
19 V A 0.0000 Buried
20 T A -0.6118 Soluble
21 I A 0.0000 Buried
22 T A -0.7792 Soluble
23 C A 0.0000 Buried
24 R A -2.1620 Soluble
25 A A 0.0000 Buried
26 S A -1.7700 Soluble
27 Q A -1.8015 Soluble
28 S A -0.9199 Soluble
29 V A 0.0000 Buried
30 S A 0.0629 Aggregation-prone
31 T A 0.1593 Aggregation-prone
34 S A -0.1041 Soluble
35 S A 0.1383 Aggregation-prone
36 Y A 0.9068 Aggregation-prone
37 S A 0.0000 Buried
38 Y A 0.6041 Aggregation-prone
39 M A 0.0000 Buried
40 H A 0.0000 Buried
41 W A 0.0000 Buried
42 Y A 0.0000 Buried
43 Q A 0.0000 Buried
44 Q A 0.0000 Buried
45 K A -1.6720 Soluble
46 P A -1.4421 Soluble
47 G A -1.7054 Soluble
48 K A -2.3617 Soluble
49 A A -1.4813 Soluble
50 P A 0.0000 Buried
51 K A -1.4785 Soluble
52 V A -0.4874 Soluble
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 S A 0.0000 Buried
56 Y A 0.0709 Aggregation-prone
57 A A 0.0000 Buried
65 S A -0.7391 Soluble
66 N A -1.2595 Soluble
67 L A -0.5204 Soluble
68 E A -0.7351 Soluble
69 S A -0.6381 Soluble
70 G A -0.5774 Soluble
71 V A -0.4020 Soluble
72 P A -0.3606 Soluble
74 S A -0.4406 Soluble
75 R A -0.7282 Soluble
76 F A 0.0000 Buried
77 S A -0.5568 Soluble
78 G A -0.5128 Soluble
79 S A -0.8646 Soluble
80 G A -1.0986 Soluble
83 S A -0.7530 Soluble
84 G A -0.9243 Soluble
85 T A -1.6287 Soluble
86 D A -2.3624 Soluble
87 F A 0.0000 Buried
88 T A -0.7735 Soluble
89 L A 0.0000 Buried
90 T A -0.6015 Soluble
91 I A 0.0000 Buried
92 S A -1.4025 Soluble
93 S A -1.1917 Soluble
94 L A 0.0000 Buried
95 Q A -0.8708 Soluble
96 P A -1.6970 Soluble
97 E A -1.9262 Soluble
98 D A 0.0000 Buried
99 F A 0.0000 Buried
100 A A 0.0000 Buried
101 T A -0.6905 Soluble
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 Q A 0.0000 Buried
106 H A 0.0000 Buried
107 S A 0.0000 Buried
108 W A 0.2748 Aggregation-prone
109 G A 0.1422 Aggregation-prone
114 I A 0.4946 Aggregation-prone
115 P A -0.2398 Soluble
116 R A -0.2934 Soluble
117 T A -0.6736 Soluble
118 F A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.6448 Soluble
121 G A 0.0000 Buried
122 T A 0.0000 Buried
123 K A -1.1963 Soluble
124 V A 0.0000 Buried
125 E A -1.1358 Soluble
126 I A 0.0000 Buried
127 K A -1.3877 Soluble
128 R A -0.7886 Soluble
129 T A 0.2352 Aggregation-prone
130 V A 1.1927 Aggregation-prone
131 A A 0.4493 Aggregation-prone
132 A A 0.0009 Aggregation-prone
133 P A 0.0000 Buried
134 S A -0.1240 Soluble
135 V A 0.1735 Aggregation-prone
136 F A 0.2999 Aggregation-prone
137 I A 0.2405 Aggregation-prone
138 F A 0.0000 Buried
139 P A -0.7088 Soluble
140 P A -0.8031 Soluble
141 S A -1.6024 Soluble
142 D A -3.0253 Soluble
143 E A -3.2227 Soluble
144 Q A 0.0000 Buried
145 L A -2.3462 Soluble
146 K A -3.0184 Soluble
147 S A -1.9078 Soluble
148 G A -1.0860 Soluble
149 T A -1.1419 Soluble
150 A A 0.0000 Buried
151 S A 0.0000 Buried
152 V A 0.0000 Buried
153 V A 0.0000 Buried
154 C A 0.0000 Buried
155 L A 0.0000 Buried
156 L A 0.0000 Buried
157 N A 0.0000 Buried
158 N A -0.9105 Soluble
159 F A 0.0000 Buried
160 Y A 0.0000 Buried
161 P A -1.1466 Soluble
162 R A -2.0074 Soluble
163 E A -2.7469 Soluble
164 A A -2.0949 Soluble
165 K A -2.2141 Soluble
166 V A -1.0776 Soluble
167 Q A -0.7296 Soluble
168 W A 0.0000 Buried
169 K A -0.4730 Soluble
170 V A 0.0000 Buried
171 D A -1.5303 Soluble
172 N A -1.2849 Soluble
173 A A -0.2309 Soluble
174 L A 0.7134 Aggregation-prone
175 Q A -0.4342 Soluble
176 S A -0.9524 Soluble
177 G A -1.4515 Soluble
178 N A -1.8351 Soluble
179 S A -1.7799 Soluble
180 Q A -1.8365 Soluble
181 E A -1.7545 Soluble
182 S A -0.8030 Soluble
183 V A -0.3448 Soluble
184 T A -0.8387 Soluble
185 E A -1.7812 Soluble
186 Q A 0.0000 Buried
187 D A -2.3052 Soluble
188 S A -2.3686 Soluble
189 K A -2.7868 Soluble
190 D A -2.3202 Soluble
191 S A 0.0000 Buried
192 T A 0.0000 Buried
193 Y A 0.0000 Buried
194 S A 0.0000 Buried
195 L A 0.0000 Buried
196 S A 0.0000 Buried
197 S A 0.0000 Buried
198 T A -0.9089 Soluble
199 L A 0.0000 Buried
200 T A -0.7005 Soluble
201 L A -0.5530 Soluble
202 S A -1.0708 Soluble
203 K A -2.0639 Soluble
204 A A -1.9664 Soluble
205 D A -2.7842 Soluble
206 Y A 0.0000 Buried
207 E A -2.8920 Soluble
208 K A -3.3128 Soluble
209 H A -2.8743 Soluble
210 K A -2.5738 Soluble
211 V A -1.1547 Soluble
212 Y A 0.0000 Buried
213 A A 0.0000 Buried
214 C A 0.0000 Buried
215 E A -0.8085 Soluble
216 V A 0.0000 Buried
217 T A -1.1881 Soluble
218 H A -1.5034 Soluble
219 Q A -1.3366 Soluble
220 G A -0.3361 Soluble
221 L A -0.4119 Soluble
222 S A -0.5047 Soluble
223 S A -0.4067 Soluble
224 P A -0.4476 Soluble
225 V A 0.2494 Aggregation-prone
226 T A -0.3004 Soluble
227 K A -0.5267 Soluble
228 S A -0.4397 Soluble
229 F A -0.9478 Soluble
230 N A -1.8245 Soluble
231 R A -2.2449 Soluble
232 G A -1.9795 Soluble
233 E A -2.3686 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 -0.6779 2.7617 CSV PDB
4.5 -0.7244 2.5373 CSV PDB
5.0 -0.7791 2.2801 CSV PDB
5.5 -0.8319 2.0087 CSV PDB
6.0 -0.8709 1.7323 CSV PDB
6.5 -0.8874 1.6184 CSV PDB
7.0 -0.8812 1.6184 CSV PDB
7.5 -0.86 1.6184 CSV PDB
8.0 -0.8302 1.6184 CSV PDB
8.5 -0.7935 1.6184 CSV PDB
9.0 -0.7492 1.6184 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH