Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ira_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A N ALA 18.A O no hydrogen 2.759 N/A ASN 4.A ND2 HIS 17.A O no hydrogen 3.134 N/A ASN 4.A ND2 ASN 20.A O no hydrogen 3.418 N/A ASN 4.A ND2 VAL 22.A O no hydrogen 3.036 N/A LEU 6.A N ASN 4.A OD1 no hydrogen 3.076 N/A ILE 7.A N ASN 4.A O no hydrogen 3.061 N/A LYS 8.A N ARG 5.A O no hydrogen 3.019 N/A GLU 9.A N LEU 6.A O no hydrogen 3.012 N/A SER 11.A OG ASP 81.A OD2 no hydrogen 2.688 N/A LEU 14.A N SER 11.A OG no hydrogen 2.947 N/A LEU 15.A N SER 11.A O no hydrogen 2.792 N/A GLN 16.A N PRO 12.A O no hydrogen 2.923 N/A HIS 17.A N LEU 14.A O no hydrogen 2.882 N/A ALA 18.A N LEU 15.A O no hydrogen 2.944 N/A ASN 20.A N HIS 17.A O no hydrogen 3.070 N/A ASN 20.A ND2 HIS 17.A ND1 no hydrogen 3.272 N/A ASP 23.A N ASN 72.A OD1 no hydrogen 3.002 N/A TRP 24.A N VAL 22.A O no hydrogen 2.867 N/A TYR 25.A N SER 77.A O no hydrogen 2.827 N/A GLU 33.A N GLU 29.A O no hydrogen 2.713 N/A LYS 34.A N GLU 30.A O no hydrogen 2.867 N/A LYS 34.A NZ TYR 25.A OH no hydrogen 2.723 N/A ALA 35.A N ALA 31.A O no hydrogen 2.919 N/A ARG 36.A N PHE 32.A O no hydrogen 2.969 N/A LYS 37.A N GLU 33.A O no hydrogen 2.858 N/A GLU 38.A N LYS 34.A O no hydrogen 2.945 N/A ASN 39.A N ARG 36.A O no hydrogen 3.090 N/A LYS 40.A N ALA 35.A O no hydrogen 2.942 N/A VAL 42.A N MET 111.A O no hydrogen 2.701 N/A PHE 43.A N VAL 76.A O no hydrogen 2.892 N/A LEU 44.A N ILE 109.A O no hydrogen 2.727 N/A SER 45.A N ILE 78.A O no hydrogen 2.848 N/A SER 45.A OG ASN 108.A OD1 no hydrogen 3.130 N/A ILE 46.A N LEU 107.A O no hydrogen 2.733 N/A GLY 47.A N VAL 80.A O no hydrogen 3.023 N/A CYS 51.A N TYR 48.A O no hydrogen 3.166 N/A HIS 55.A N CYS 51.A O no hydrogen 3.115 N/A MET 56.A N HIS 52.A O no hydrogen 3.001 N/A MET 57.A N TRP 53.A O no hydrogen 3.075 N/A ALA 58.A N CYS 54.A O no hydrogen 3.005 N/A HIS 59.A N HIS 55.A O no hydrogen 2.893 N/A GLU 60.A N MET 56.A O no hydrogen 2.868 N/A SER 61.A N MET 57.A O no hydrogen 2.807 N/A PHE 62.A N MET 57.A O no hydrogen 3.101 N/A GLU 63.A N ALA 58.A O no hydrogen 2.936 N/A ASP 64.A N SER 61.A O no hydrogen 3.042 N/A VAL 67.A N ASP 64.A OD2 no hydrogen 2.854 N/A ALA 68.A N ASP 64.A O no hydrogen 3.001 N/A GLY 69.A N GLU 65.A O no hydrogen 2.890 N/A LEU 70.A N GLU 66.A O no hydrogen 3.047 N/A MET 71.A N VAL 67.A O no hydrogen 2.821 N/A ASN 72.A N ALA 68.A O no hydrogen 2.779 N/A ASN 72.A ND2 PRO 21.A O no hydrogen 2.908 N/A GLU 73.A N GLY 69.A O no hydrogen 3.087 N/A ALA 74.A N LEU 70.A O no hydrogen 2.992 N/A PHE 75.A N MET 71.A O no hydrogen 2.860 N/A VAL 76.A N PRO 41.A O no hydrogen 3.064 N/A ILE 78.A N PHE 43.A O no hydrogen 2.816 N/A LYS 79.A N TYR 25.A O no hydrogen 2.984 N/A LYS 79.A NZ TYR 13.A OH no hydrogen 2.456 N/A LYS 79.A NZ SER 45.A O no hydrogen 3.468 N/A VAL 80.A N SER 45.A O no hydrogen 2.895 N/A ARG 82.A N GLY 47.A O no hydrogen 2.768 N/A GLU 83.A N ASP 81.A OD1 no hydrogen 3.002 N/A GLU 84.A N ASP 81.A O no hydrogen 2.961 N/A ARG 85.A N ASP 81.A O no hydrogen 2.946 N/A ARG 85.A NE ASP 87.A OD1 no hydrogen 2.982 N/A ARG 85.A NH2 ASP 87.A OD2 no hydrogen 2.776 N/A ASP 89.A N ARG 85.A O no hydrogen 3.094 N/A ASN 90.A N PRO 86.A O no hydrogen 2.929 N/A ILE 91.A N ASP 87.A O no hydrogen 3.083 N/A TYR 92.A N ILE 88.A O no hydrogen 3.051 N/A MET 93.A N ASP 89.A O no hydrogen 2.800 N/A THR 94.A N ASN 90.A O no hydrogen 3.125 N/A THR 94.A OG1 ASN 90.A O no hydrogen 2.940 N/A VAL 95.A N ILE 91.A O no hydrogen 3.285 N/A CYS 96.A N TYR 92.A O no hydrogen 2.946 N/A CYS 96.A SG ARG 102.A O no hydrogen 3.506 N/A GLN 97.A N MET 93.A O no hydrogen 2.930 N/A ILE 98.A N THR 94.A O no hydrogen 2.930 N/A ILE 99.A N VAL 95.A O no hydrogen 3.039 N/A LEU 100.A N CYS 96.A O no hydrogen 2.712 N/A GLY 101.A N GLN 97.A O no hydrogen 2.841 N/A ARG 102.A NH2 THR 122.A OG1 no hydrogen 2.753 N/A TRP 105.A NE1 ASP 89.A OD1 no hydrogen 2.732 N/A LEU 107.A N ILE 46.A O no hydrogen 2.962 N/A ASN 108.A N GLY 121.A O no hydrogen 2.741 N/A ASN 108.A ND2 THR 122.A O no hydrogen 2.848 N/A ILE 109.A N LEU 44.A O no hydrogen 2.851 N/A ILE 110.A N PHE 119.A O no hydrogen 2.883 N/A MET 111.A N VAL 42.A O no hydrogen 2.894 N/A THR 112.A N LYS 116.A O no hydrogen 2.920 N/A THR 112.A OG1 LYS 116.A O no hydrogen 2.981 N/A LYS 115.A N THR 112.A O no hydrogen 2.779 N/A LYS 116.A NZ GLU 158.A OE1 no hydrogen 2.476 N/A PHE 118.A N ILE 110.A O no hydrogen 2.949 N/A PHE 119.A N ILE 110.A O no hydrogen 3.329 N/A ALA 120.A N GLN 165.A OE1 no hydrogen 2.915 N/A GLY 121.A N ASN 108.A O no hydrogen 2.722 N/A LYS 126.A NZ ASP 64.A OD1 no hydrogen 3.397 N/A ARG 129.A N GLN 132.A O no hydrogen 2.843 N/A GLN 132.A N ARG 129.A O no hydrogen 2.869 N/A GLY 134.A N THR 128.A OG1 no hydrogen 2.893 N/A MET 135.A N PRO 125.A O no hydrogen 2.852 N/A LEU 136.A N LYS 126.A O no hydrogen 3.038 N/A GLU 137.A N GLY 134.A O no hydrogen 3.244 N/A LEU 138.A N GLY 134.A O no hydrogen 2.836 N/A VAL 139.A N MET 135.A O no hydrogen 3.231 N/A ARG 141.A N GLU 137.A O no hydrogen 3.365 N/A ILE 142.A N LEU 138.A O no hydrogen 2.874 N/A LYS 143.A N VAL 139.A O no hydrogen 3.009 N/A LYS 143.A NZ GLU 147.A OE2 no hydrogen 2.776 N/A GLU 144.A N PRO 140.A O no hydrogen 2.969 N/A ILE 145.A N ARG 141.A O no hydrogen 2.953 N/A TRP 146.A N ILE 142.A O no hydrogen 2.936 N/A TRP 146.A NE1 ASN 39.A O no hydrogen 2.836 N/A GLU 147.A N LYS 143.A O no hydrogen 3.011 N/A GLN 148.A N GLU 144.A O no hydrogen 2.731 N/A GLN 149.A N ILE 145.A O no hydrogen 2.594 N/A VAL 153.A N GLN 149.A O no hydrogen 3.036 N/A LEU 154.A N HIS 150.A O no hydrogen 2.927 N/A ASP 155.A N GLU 151.A O no hydrogen 2.949 N/A SER 156.A N GLU 152.A O no hydrogen 2.904 N/A SER 156.A OG THR 161.A O no hydrogen 3.209 N/A SER 156.A OG THR 161.A OG1 no hydrogen 3.032 N/A ALA 157.A N VAL 153.A O no hydrogen 2.873 N/A GLU 158.A N LEU 154.A O no hydrogen 2.895 N/A LYS 159.A N ASP 155.A O no hydrogen 3.074 N/A THR 161.A N SER 156.A O no hydrogen 3.069 N/A THR 161.A OG1 SER 156.A OG no hydrogen 3.032 N/A THR 161.A OG1 THR 163.A OG1 no hydrogen 3.213 N/A THR 163.A OG1 THR 161.A OG1 no hydrogen 3.213 N/A GLN 165.A NE2 ALA 120.A O no hydrogen 2.873 N/A GLU 166.A N SER 162.A O no hydrogen 2.806 N/A MET 167.A N THR 163.A O no hydrogen 2.938 N/A ILE 168.A N ILE 164.A O no hydrogen 3.086 N/A LYS 169.A N GLN 165.A O no hydrogen 2.899 N/A GLU 170.A N GLU 166.A O no hydrogen 2.884 N/A SER 171.A N MET 167.A O no hydrogen 3.027 N/A SER 171.A OG MET 167.A O no hydrogen 3.421 N/A SER 172.A OG GLU 170.A O no hydrogen 3.447 N/A SER 172.A OG SER 171.A O no hydrogen 2.765 N/A