Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ule_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N ASN 51.A OD1 no hydrogen 3.003 N/A HIS 4.A NE2 GLU 58.A O no hydrogen 2.621 N/A SER 5.A N ASP 64.A OD1 no hydrogen 3.154 N/A SER 5.A OG GLU 43.A OE1 no hydrogen 2.564 N/A SER 6.A N GLU 43.A OE2 no hydrogen 3.231 N/A SER 6.A OG GLU 43.A OE2 no hydrogen 3.169 N/A LEU 7.A N SER 5.A OG no hydrogen 3.307 N/A ASP 9.A N THR 12.A OG1 no hydrogen 2.773 N/A THR 12.A N ASP 9.A O no hydrogen 2.936 N/A THR 12.A OG1 ASP 9.A O no hydrogen 3.470 N/A ILE 15.A N MET 18.A O no hydrogen 3.202 N/A ASN 17.A ND2 ILE 115.A O no hydrogen 2.748 N/A ALA 19.A N GLU 62.A O no hydrogen 3.041 N/A LEU 20.A N LYS 13.A O no hydrogen 2.905 N/A LEU 21.A N ALA 19.A O no hydrogen 2.858 N/A ILE 23.A N PRO 32.A O no hydrogen 3.134 N/A ARG 24.A N ASP 39.A OD2 no hydrogen 2.968 N/A SER 25.A OG GLU 138.A OE1 no hydrogen 2.769 N/A PHE 27.A N SER 25.A OG no hydrogen 2.951 N/A ALA 31.A N GLN 134.A OE1 no hydrogen 2.857 N/A LYS 36.A N GLU 34.A OE1 no hydrogen 2.550 N/A ASP 39.A N ASP 42.A OD2 no hydrogen 3.325 N/A VAL 41.A N ASP 39.A OD1 no hydrogen 3.016 N/A ASP 42.A N ASP 39.A OD1 no hydrogen 3.015 N/A GLU 43.A N ASP 39.A O no hydrogen 2.840 N/A ALA 44.A N ILE 40.A O no hydrogen 3.154 N/A ILE 45.A N VAL 41.A O no hydrogen 3.157 N/A TYR 46.A N ASP 42.A O no hydrogen 3.039 N/A TYR 47.A N GLU 43.A O no hydrogen 3.194 N/A LYS 49.A NZ TRP 158.A O no hydrogen 2.625 N/A ALA 50.A N TYR 47.A O no hydrogen 3.061 N/A ASN 51.A N TYR 47.A O no hydrogen 2.876 N/A ASN 51.A ND2 TYR 3.A O no hydrogen 3.371 N/A VAL 52.A N PHE 48.A O no hydrogen 2.858 N/A PHE 53.A N ALA 50.A O no hydrogen 3.391 N/A PHE 54.A N ASN 51.A O no hydrogen 2.919 N/A TYR 57.A OH TYR 3.A O no hydrogen 2.620 N/A TYR 57.A OH ASP 64.A OD1 no hydrogen 3.273 N/A LYS 60.A N ASP 64.A OD2 no hydrogen 2.933 N/A ASN 61.A N ASP 64.A OD2 no hydrogen 3.302 N/A ASP 64.A N ASN 61.A O no hydrogen 3.167 N/A ARG 65.A N GLU 62.A O no hydrogen 3.237 N/A ARG 65.A NE ILE 115.A O no hydrogen 3.053 N/A ARG 65.A NH1 ASN 17.A O no hydrogen 2.966 N/A THR 66.A OG1 ALA 19.A O no hydrogen 2.605 N/A LEU 67.A N ALA 63.A O no hydrogen 2.885 N/A ILE 68.A N ASP 64.A O no hydrogen 2.755 N/A TYR 69.A N ARG 65.A O no hydrogen 3.104 N/A ILE 70.A N THR 66.A O no hydrogen 3.116 N/A THR 71.A N LEU 67.A O no hydrogen 3.035 N/A THR 71.A OG1 LEU 67.A O no hydrogen 2.974 N/A LEU 72.A N ILE 68.A O no hydrogen 2.960 N/A TYR 73.A N TYR 69.A O no hydrogen 2.999 N/A ILE 74.A N ILE 70.A O no hydrogen 2.816 N/A SER 75.A N THR 71.A O no hydrogen 3.329 N/A GLU 76.A N LEU 72.A O no hydrogen 3.375 N/A CYS 77.A N TYR 73.A O no hydrogen 3.074 N/A CYS 77.A SG TYR 73.A O no hydrogen 3.420 N/A LEU 78.A N ILE 74.A O no hydrogen 3.024 N/A LYS 79.A N SER 75.A O no hydrogen 3.097 N/A LYS 80.A N GLU 76.A O no hydrogen 3.284 N/A LEU 81.A N CYS 77.A O no hydrogen 2.561 N/A GLN 82.A N LEU 78.A O no hydrogen 2.826 N/A CYS 84.A N LEU 81.A O no hydrogen 2.760 N/A CYS 84.A SG LYS 80.A O no hydrogen 3.449 N/A CYS 84.A SG GLU 93.A OE2 no hydrogen 3.642 N/A SER 86.A OG SER 88.A OG no hydrogen 3.154 N/A SER 88.A OG SER 86.A OG no hydrogen 3.154 N/A GLN 89.A N SER 86.A OG no hydrogen 3.068 N/A GLN 89.A NE2 ASN 85.A OD1 no hydrogen 3.459 N/A GLN 89.A NE2 GLU 93.A OE2 no hydrogen 3.509 N/A GLY 90.A N SER 86.A O no hydrogen 2.807 N/A GLU 91.A N LYS 87.A O no hydrogen 2.819 N/A LYS 92.A N SER 88.A O no hydrogen 3.018 N/A GLU 93.A N GLN 89.A O no hydrogen 3.166 N/A MET 94.A N GLU 91.A O no hydrogen 3.127 N/A TYR 95.A N GLU 91.A O no hydrogen 3.261 N/A TYR 95.A N LYS 92.A O no hydrogen 3.111 N/A THR 96.A N LYS 92.A O no hydrogen 3.156 N/A THR 96.A OG1 LYS 92.A O no hydrogen 3.469 N/A LEU 97.A N GLU 93.A O no hydrogen 3.018 N/A GLY 98.A N MET 94.A O no hydrogen 2.874 N/A ILE 99.A N TYR 95.A O no hydrogen 2.918 N/A THR 100.A N LEU 97.A O no hydrogen 3.371 N/A THR 100.A OG1 LEU 97.A O no hydrogen 2.464 N/A PHE 102.A N THR 100.A O no hydrogen 2.945 N/A ILE 104.A N GLU 107.A OE1 no hydrogen 3.076 N/A GLY 106.A N ASN 113.A OD1 no hydrogen 2.613 N/A GLU 107.A N ILE 104.A O no hydrogen 2.894 N/A PHE 110.A N GLU 107.A O no hydrogen 3.232 N/A ASN 113.A ND2 GLU 107.A O no hydrogen 2.926 N/A ILE 115.A N LEU 112.A O no hydrogen 2.794 N/A TYR 116.A N LEU 112.A O no hydrogen 3.076 N/A TYR 116.A OH ARG 65.A O no hydrogen 2.724 N/A ALA 117.A N ASN 17.A OD1 no hydrogen 2.514 N/A ALA 120.A N GLU 124.A OE1 no hydrogen 2.786 N/A GLN 123.A N ASN 121.A OD1 no hydrogen 3.150 N/A GLU 124.A N ASN 121.A OD1 no hydrogen 3.074 N/A ASP 125.A N ASN 121.A O no hydrogen 2.974 N/A GLU 126.A N LYS 122.A O no hydrogen 3.261 N/A VAL 127.A N GLN 123.A O no hydrogen 2.922 N/A MET 128.A N GLU 124.A O no hydrogen 2.809 N/A ARG 129.A N ASP 125.A O no hydrogen 2.895 N/A ARG 129.A NH1 ASP 125.A OD1 no hydrogen 2.959 N/A ARG 129.A NH1 ASP 125.A OD2 no hydrogen 3.225 N/A ARG 129.A NH2 GLU 107.A OE1 no hydrogen 3.316 N/A ARG 129.A NH2 GLU 107.A OE2 no hydrogen 3.287 N/A ALA 130.A N GLU 126.A O no hydrogen 2.909 N/A TYR 131.A N VAL 127.A O no hydrogen 2.853 N/A TYR 131.A OH LEU 21.A O no hydrogen 2.799 N/A LEU 132.A N MET 128.A O no hydrogen 2.964 N/A GLN 133.A N ARG 129.A O no hydrogen 3.110 N/A GLN 134.A N ALA 130.A O no hydrogen 3.089 N/A GLN 134.A NE2 PHE 27.A O no hydrogen 2.886 N/A LEU 135.A N TYR 131.A O no hydrogen 2.967 N/A ARG 136.A N LEU 132.A O no hydrogen 2.967 N/A ARG 136.A NE GLY 98.A O no hydrogen 3.293 N/A ARG 136.A NH1 TYR 69.A OH no hydrogen 2.828 N/A GLN 137.A N GLN 133.A O no hydrogen 2.957 N/A GLN 137.A NE2 TYR 95.A O no hydrogen 3.272 N/A GLU 138.A N GLN 134.A O no hydrogen 3.075 N/A THR 139.A N LEU 135.A O no hydrogen 2.809 N/A THR 139.A OG1 LEU 135.A O no hydrogen 2.743 N/A GLY 140.A N ARG 136.A O no hydrogen 2.797 N/A LEU 141.A N GLN 137.A O no hydrogen 3.142 N/A LEU 141.A N GLU 138.A O no hydrogen 3.232 N/A ARG 142.A N GLU 138.A O no hydrogen 3.246 N/A ARG 142.A NE GLU 138.A OE2 no hydrogen 2.837 N/A ARG 142.A NH1 ASP 39.A OD1 no hydrogen 2.936 N/A ARG 142.A NH1 ASP 39.A OD2 no hydrogen 3.509 N/A ARG 142.A NH2 ARG 24.A O no hydrogen 2.817 N/A ARG 142.A NH2 ASP 39.A OD2 no hydrogen 2.876 N/A ARG 142.A NH2 GLU 138.A OE2 no hydrogen 3.413 N/A LEU 143.A N THR 139.A O no hydrogen 3.044 N/A CYS 144.A SG GLY 140.A O no hydrogen 3.492 N/A LYS 146.A N LEU 143.A O no hydrogen 2.757 N/A VAL 147.A N LEU 143.A O no hydrogen 2.568 N/A PHE 148.A N CYS 144.A O no hydrogen 3.029 N/A ASP 149.A N LYS 154.A O no hydrogen 3.062 N/A SER 156.A N VAL 147.A O no hydrogen 2.724 N/A TRP 158.A N SER 156.A OG no hydrogen 3.174 N/A TRP 159.A N SER 156.A O no hydrogen 3.035 N/A THR 160.A N SER 156.A O no hydrogen 3.015 N/A THR 160.A OG1 PRO 155.A O no hydrogen 3.567 N/A THR 160.A OG1 SER 156.A O no hydrogen 3.039 N/A CYS 161.A N LYS 157.A O no hydrogen 3.068 N/A CYS 161.A SG LYS 157.A O no hydrogen 3.271 N/A PHE 162.A N TRP 159.A O no hydrogen 3.009 N/A VAL 163.A N THR 160.A O no hydrogen 2.897 N/A ARG 165.A N PHE 162.A O no hydrogen 2.925 N/A MET 168.A N PHE 54.A O no hydrogen 3.098 N/A ASN 169.A N GLN 166.A O no hydrogen 2.775 N/A LYS 170.A N PHE 167.A O no hydrogen 2.949 N/A SER 173.A N SER 171.A OG no hydrogen 2.967 N/A SER 173.A OG GLU 76.A OE1 no hydrogen 2.499 N/A SER 173.A OG GLU 76.A OE2 no hydrogen 3.090 N/A GLY 174.A N SER 171.A O no hydrogen 3.244 N/A