| Compound | Hydrogen bonds | Range (Å) | Hydrophobic contacts | Range (Å) |
| Boronate | Lys1074 | 3.11 | Lys1074, Thr1118, Ile1123, Ala1125, Val1126, Tyr1150, Gly1151, Asn1152, Gly1153 | 3.1–3.93 | CD11575 | Asn1152, Gly1153 | 2.33–2.82 | His1051, Il31123, Ala1125, Val1126, Leu1128, Asp1129, Tyr1130, Pro1131, Ser1135, Leu1149, Tyr1150, Gly1151, Asn1152, Gly1153 | 2.42–3.90 | CD03173 | Gly1133, Thr1134, Ser1135, | 2.56–3.26 | Met 1049, His1051, Ala1125, Val1126, Leu1128, Tyr1130, Pro1131, Ala1132, Gly1133, Thr1134, Ser1135, Tyr1150, Gly1151, Asn1152, Gly1153 | 2.40–3.86 | HTS03171 | His1051, Gly1133, Ser1135, Gly1151 | 2.36–3.08 | His1051, Ala1125, Val1126, Ala1127, Leu1128, Tyr1130, Pro1131, Ala1132, Gly1133, Thr1134, Ser1135, Tyr1150, Gly1151, Asn1152, Gly1153 | 2.34–3.89 | HTS07252 | His1051, Thr1134, Ser1135, Gly1151 | 2.60–3.14 | Gln1035, Val1036, His1051, Ala1125, Val1126, Leu1128, Asp1129, Tyr1130, Pro1131, Ala1132, Gly1133, Thr1134, Ser1135, Ile1139, Tyr1150, Gly1151, Asn1152, Gly1153 | 2.27–3.87 | JFD01698 | His1051, Ser1135, | 2.66–2.91 | His1051, Leu1128, Asp1129, Tyr1130, Pro1131, Ala1132, Gly1133, Thr1134, Ser1135, Tyr1150 | 2.41–3.85 | KM10383 | His1051, Ser1135 | 2.55–3.09 | His1051, Val1126, Leu1128, Asp1129, Tyr1130, Pro1131, Ala1132, Ser1135, Tyr1150, Gly1151, Asn1152, Gly1153 | 2.67–3.88 | HTS04601 | Val1126, Gly1151 | 2.72–2.88 | His1051, Ala1125, Val1126, Leu1128, Asp1129, Tyr1130, Pro1131, Ala1132, Ser1135, Tyr1150, Gly1151, Asn1152, Gly1153 | 2.35–3.67 |
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