Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4iap_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE ASP 188.A OD1 no hydrogen 2.601 N/A ARG 2.A NH2 ASP 188.A OD2 no hydrogen 3.363 N/A LEU 4.A N LEU 187.A O no hydrogen 3.068 N/A GLY 6.A N PHE 185.A O no hydrogen 2.996 N/A LEU 8.A N ARG 183.A O no hydrogen 2.994 N/A LEU 9.A N LYS 237.A O no hydrogen 3.044 N/A LYS 10.A N LYS 181.A O no hydrogen 2.843 N/A LYS 10.A NZ TYR 196.A OH no hydrogen 3.310 N/A LYS 11.A N VAL 235.A O no hydrogen 3.085 N/A LYS 11.A NZ TYR 175.A O no hydrogen 3.078 N/A LYS 11.A NZ VAL 176.A O no hydrogen 2.744 N/A LYS 11.A NZ GLN 178.A O no hydrogen 2.875 N/A GLU 19.A N ASN 16.A OD1 no hydrogen 2.964 N/A MET 20.A N ASN 16.A O no hydrogen 3.145 N/A LEU 21.A N ILE 17.A O no hydrogen 3.037 N/A ARG 22.A N PHE 18.A O no hydrogen 2.886 N/A ILE 23.A N GLU 19.A O no hydrogen 3.068 N/A ASP 24.A N MET 20.A O no hydrogen 2.766 N/A GLU 25.A N LEU 21.A O no hydrogen 2.624 N/A GLY 26.A N LEU 21.A O no hydrogen 3.044 N/A ARG 28.A N GLY 42.A O no hydrogen 2.956 N/A ILE 31.A N GLY 70.A O no hydrogen 2.988 N/A TYR 32.A N THR 40.A O no hydrogen 2.939 N/A ASN 34.A N TYR 38.A O no hydrogen 3.021 N/A THR 35.A OG1 GLU 36.A OE2 no hydrogen 2.683 N/A GLY 37.A N ASN 34.A O no hydrogen 2.957 N/A TYR 38.A N ASN 34.A OD1 no hydrogen 2.903 N/A TYR 39.A OH PRO 51.A O no hydrogen 2.900 N/A THR 40.A N TYR 32.A O no hydrogen 2.818 N/A THR 40.A OG1 TYR 38.A O no hydrogen 2.868 N/A ILE 41.A N HIS 45.A O no hydrogen 3.013 N/A GLY 42.A N ARG 28.A O no hydrogen 2.747 N/A HIS 45.A N ILE 41.A O no hydrogen 2.926 N/A HIS 45.A ND1 ASP 84.A OD1 no hydrogen 3.077 N/A HIS 45.A ND1 ASP 84.A OD2 no hydrogen 2.632 N/A LEU 47.A N TYR 39.A O no hydrogen 2.988 N/A LYS 49.A N THR 48.A OG1 no hydrogen 2.520 N/A ALA 55.A N SER 52.A O no hydrogen 2.838 N/A ALA 55.A N SER 52.A OG no hydrogen 3.360 N/A ALA 56.A N SER 52.A O no hydrogen 2.971 N/A LYS 57.A N LEU 53.A O no hydrogen 2.799 N/A SER 58.A N ASN 54.A O no hydrogen 2.952 N/A SER 58.A N ALA 55.A O no hydrogen 3.078 N/A SER 58.A OG ASN 54.A O no hydrogen 2.979 N/A GLU 59.A N ALA 55.A O no hydrogen 2.709 N/A LEU 60.A N ALA 56.A O no hydrogen 2.731 N/A LYS 62.A N SER 58.A O no hydrogen 2.544 N/A ALA 63.A N GLU 59.A O no hydrogen 3.028 N/A ILE 64.A N LEU 60.A O no hydrogen 3.012 N/A ARG 66.A N ILE 64.A O no hydrogen 2.730 N/A ARG 66.A NH2 VAL 71.A O no hydrogen 3.424 N/A THR 68.A N ASP 61.A OD2 no hydrogen 2.594 N/A THR 68.A OG1 ASP 61.A OD2 no hydrogen 3.208 N/A GLY 70.A N THR 68.A OG1 no hydrogen 3.286 N/A ILE 72.A N LEU 29.A O no hydrogen 2.928 N/A THR 73.A N GLU 76.A OE1 no hydrogen 2.809 N/A ALA 77.A N THR 73.A O no hydrogen 2.813 N/A GLU 78.A N LYS 74.A O no hydrogen 2.993 N/A LYS 79.A N ASP 75.A O no hydrogen 3.305 N/A LEU 80.A N GLU 76.A O no hydrogen 3.100 N/A PHE 81.A N ALA 77.A O no hydrogen 2.776 N/A ASN 82.A N GLU 78.A O no hydrogen 2.677 N/A GLN 83.A N LYS 79.A O no hydrogen 3.202 N/A ASP 84.A N LEU 80.A O no hydrogen 2.949 N/A VAL 85.A N PHE 81.A O no hydrogen 2.822 N/A ASP 86.A N ASN 82.A O no hydrogen 3.155 N/A ALA 87.A N GLN 83.A O no hydrogen 3.007 N/A ALA 88.A N ASP 84.A O no hydrogen 2.887 N/A VAL 89.A N VAL 85.A O no hydrogen 2.748 N/A ARG 90.A N ASP 86.A O no hydrogen 3.001 N/A ARG 90.A NH1 ASP 86.A O no hydrogen 3.150 N/A ARG 90.A NH1 ASP 86.A OD1 no hydrogen 3.026 N/A GLY 91.A N ALA 87.A O no hydrogen 2.897 N/A ILE 92.A N ALA 88.A O no hydrogen 2.935 N/A LEU 93.A N VAL 89.A O no hydrogen 2.862 N/A ARG 94.A N ARG 90.A O no hydrogen 3.006 N/A ARG 94.A N GLY 91.A O no hydrogen 3.164 N/A ASN 95.A N ILE 92.A O no hydrogen 3.129 N/A ASN 95.A ND2 GLU 122.A OE1 no hydrogen 2.675 N/A LYS 97.A N ASN 95.A OD1 no hydrogen 3.051 N/A LEU 98.A N ASN 95.A O no hydrogen 3.026 N/A LYS 99.A N ASN 95.A O no hydrogen 2.924 N/A LYS 99.A NZ ASP 103.A OD2 no hydrogen 2.500 N/A TYR 102.A N LEU 98.A O no hydrogen 2.951 N/A ASP 103.A N LYS 99.A O no hydrogen 2.804 N/A SER 104.A N PRO 100.A O no hydrogen 3.210 N/A SER 104.A N VAL 101.A O no hydrogen 3.136 N/A SER 104.A OG VAL 101.A O no hydrogen 2.827 N/A LEU 105.A N VAL 101.A O no hydrogen 3.069 N/A ARG 109.A N ASP 106.A OD1 no hydrogen 3.035 N/A ARG 109.A NE PHE 167.A O no hydrogen 2.643 N/A ARG 109.A NH1 ASP 106.A OD2 no hydrogen 2.760 N/A ARG 109.A NH2 PHE 167.A O no hydrogen 3.485 N/A ARG 109.A NH2 ARG 168.A O no hydrogen 3.051 N/A ARG 110.A N ASP 106.A O no hydrogen 2.830 N/A ARG 110.A NE TYR 102.A O no hydrogen 2.764 N/A ARG 110.A NH2 TYR 102.A O no hydrogen 3.164 N/A ALA 111.A N ALA 107.A O no hydrogen 3.122 N/A ALA 111.A N VAL 108.A O no hydrogen 3.231 N/A ALA 112.A N VAL 108.A O no hydrogen 3.296 N/A LEU 113.A N ARG 109.A O no hydrogen 3.081 N/A ILE 114.A N ARG 110.A O no hydrogen 3.057 N/A ASN 115.A N ALA 111.A O no hydrogen 2.890 N/A ASN 115.A ND2 ASP 24.A OD2 no hydrogen 2.870 N/A MET 116.A N ALA 112.A O no hydrogen 3.135 N/A VAL 117.A N LEU 113.A O no hydrogen 2.958 N/A PHE 118.A N ILE 114.A O no hydrogen 2.856 N/A GLN 119.A N ASN 115.A O no hydrogen 3.126 N/A GLN 119.A NE2 THR 156.A OG1 no hydrogen 3.025 N/A MET 120.A N MET 116.A O no hydrogen 2.940 N/A GLY 121.A N VAL 117.A O no hydrogen 2.620 N/A VAL 125.A N GLY 121.A O no hydrogen 3.066 N/A ALA 126.A N GLU 122.A O no hydrogen 3.047 N/A GLY 127.A N GLY 124.A O no hydrogen 3.082 N/A PHE 128.A N VAL 125.A O no hydrogen 3.158 N/A LEU 132.A N PHE 128.A O no hydrogen 2.863 N/A ARG 133.A N THR 129.A O no hydrogen 2.947 N/A MET 134.A N ASN 130.A O no hydrogen 3.142 N/A LEU 135.A N SER 131.A O no hydrogen 2.875 N/A GLN 136.A N LEU 132.A O no hydrogen 2.910 N/A GLN 137.A N ARG 133.A O no hydrogen 2.966 N/A LYS 138.A N LEU 135.A O no hydrogen 2.940 N/A LYS 138.A NZ SER 104.A O no hydrogen 3.138 N/A ARG 139.A N MET 134.A O no hydrogen 2.840 N/A ARG 139.A NE GLN 137.A OE1 no hydrogen 3.023 N/A ARG 139.A NH2 GLN 137.A OE1 no hydrogen 2.862 N/A ALA 143.A N ARG 139.A O no hydrogen 2.895 N/A ALA 144.A N TRP 140.A O no hydrogen 3.062 N/A VAL 145.A N ASP 141.A O no hydrogen 3.283 N/A ASN 146.A N GLU 142.A O no hydrogen 3.190 N/A LEU 147.A N ALA 143.A O no hydrogen 2.845 N/A ALA 148.A N ALA 144.A O no hydrogen 3.364 N/A LYS 149.A N ASN 146.A O no hydrogen 2.748 N/A SER 150.A OG LEU 147.A O no hydrogen 2.879 N/A ARG 151.A NH1 GLN 155.A OE1 no hydrogen 2.655 N/A TRP 152.A NE1 GLN 119.A OE1 no hydrogen 2.724 N/A ASN 154.A N ARG 151.A O no hydrogen 2.655 N/A GLN 155.A N ARG 151.A O no hydrogen 2.677 N/A THR 156.A N TRP 152.A O no hydrogen 2.878 N/A THR 156.A OG1 TRP 152.A O no hydrogen 3.195 N/A ARG 159.A NE ASN 115.A OD1 no hydrogen 3.145 N/A ARG 159.A NH1 GLU 25.A OE1 no hydrogen 3.262 N/A ARG 159.A NH2 GLU 25.A OE1 no hydrogen 3.358 N/A ARG 159.A NH2 ASN 115.A OD1 no hydrogen 2.854 N/A ALA 160.A N THR 156.A O no hydrogen 2.928 N/A LYS 161.A N PRO 157.A O no hydrogen 2.761 N/A ARG 162.A N ASN 158.A O no hydrogen 3.195 N/A ARG 162.A NE ASP 24.A OD1 no hydrogen 2.865 N/A ARG 162.A NH2 ASP 24.A OD1 no hydrogen 2.686 N/A VAL 163.A N ARG 159.A O no hydrogen 3.019 N/A ILE 164.A N ALA 160.A O no hydrogen 2.926 N/A THR 165.A N LYS 161.A O no hydrogen 2.934 N/A THR 165.A OG1 LYS 161.A O no hydrogen 2.914 N/A THR 166.A N ARG 162.A O no hydrogen 3.118 N/A THR 166.A OG1 ARG 162.A O no hydrogen 2.685 N/A PHE 167.A N VAL 163.A O no hydrogen 2.954 N/A ARG 168.A N ILE 164.A O no hydrogen 2.840 N/A THR 169.A N THR 165.A O no hydrogen 2.988 N/A THR 169.A OG1 THR 165.A O no hydrogen 3.062 N/A THR 169.A OG1 THR 171.A OG1 no hydrogen 2.780 N/A GLY 170.A N THR 166.A O no hydrogen 2.844 N/A THR 171.A N THR 169.A OG1 no hydrogen 3.043 N/A THR 171.A OG1 THR 169.A OG1 no hydrogen 2.780 N/A ASP 173.A N THR 171.A OG1 no hydrogen 3.274 N/A TYR 175.A N TRP 172.A O no hydrogen 3.083 N/A TYR 175.A OH ASP 24.A OD2 no hydrogen 2.512 N/A VAL 176.A N ASP 173.A O no hydrogen 3.311 N/A GLN 178.A N TYR 175.A O no hydrogen 3.044 N/A GLN 178.A NE2 ASP 177.A OD2 no hydrogen 2.817 N/A LYS 181.A N LYS 10.A O no hydrogen 2.862 N/A ARG 183.A N LEU 8.A O no hydrogen 2.950 N/A ARG 183.A NH1 LYS 182.A O no hydrogen 2.643 N/A PHE 184.A N TYR 197.A O no hydrogen 2.798 N/A PHE 185.A N GLY 6.A O no hydrogen 2.759 N/A THR 186.A N SER 195.A O no hydrogen 2.785 N/A LEU 187.A N LEU 4.A O no hydrogen 2.823 N/A ASP 188.A N THR 193.A O no hydrogen 2.995 N/A PHE 189.A N ARG 2.A O no hydrogen 3.001 N/A ARG 190.A N ASP 188.A OD1 no hydrogen 3.426 N/A TYR 191.A N ASP 188.A OD2 no hydrogen 2.938 N/A GLY 192.A N ASP 188.A O no hydrogen 2.639 N/A LEU 194.A N ILE 209.A O no hydrogen 2.737 N/A SER 195.A N THR 186.A O no hydrogen 2.852 N/A SER 195.A OG GLU 208.A OE1 no hydrogen 2.922 N/A TYR 196.A N GLY 207.A O no hydrogen 3.282 N/A TYR 197.A N PHE 184.A O no hydrogen 2.661 N/A ASP 200.A N TYR 7.A OH no hydrogen 2.712 N/A HIS 201.A N ASN 199.A OD1 no hydrogen 2.693 N/A ASN 202.A N ASN 199.A OD1 no hydrogen 2.826 N/A CYS 205.A SG GLY 207.A O no hydrogen 3.226 N/A ARG 206.A N TYR 196.A O no hydrogen 2.973 N/A ILE 209.A N LEU 194.A O no hydrogen 2.797 N/A ILE 211.A N GLY 192.A O no hydrogen 2.789 N/A LEU 213.A N VAL 210.A O no hydrogen 3.084 N/A SER 214.A N ILE 211.A O no hydrogen 2.997 N/A SER 214.A OG ILE 211.A O no hydrogen 2.772 N/A SER 215.A N ASP 228.A O no hydrogen 2.754 N/A SER 217.A N ILE 226.A O no hydrogen 2.817 N/A ASN 219.A N ILE 224.A O no hydrogen 2.864 N/A ASP 222.A N ASN 219.A OD1 no hydrogen 2.947 N/A LYS 223.A N LYS 220.A O no hydrogen 3.040 N/A ILE 224.A N ASN 219.A O no hydrogen 2.993 N/A ILE 225.A N LEU 236.A O no hydrogen 2.855 N/A ILE 226.A N SER 217.A O no hydrogen 2.593 N/A ILE 227.A N TRP 234.A O no hydrogen 2.860 N/A ASP 228.A N SER 215.A O no hydrogen 2.844 N/A SER 229.A N GLU 232.A O no hydrogen 2.833 N/A SER 229.A OG GLU 232.A O no hydrogen 2.972 N/A GLY 230.A N ASP 228.A OD1 no hydrogen 2.678 N/A TRP 234.A N ILE 227.A O no hydrogen 2.855 N/A TRP 234.A NE1 GLU 232.A OE1 no hydrogen 2.807 N/A VAL 235.A N LYS 11.A O no hydrogen 3.426 N/A LEU 236.A N ILE 225.A O no hydrogen 2.787 N/A LYS 237.A N LEU 9.A O no hydrogen 2.914 N/A LYS 237.A NZ ASP 222.A O no hydrogen 2.670 N/A ALA 238.A N LYS 223.A O no hydrogen 2.925 N/A GLU 242.A N THR 240.A OG1 no hydrogen 2.863 N/A TRP 244.A N THR 240.A O no hydrogen 2.952 N/A TRP 244.A NE1 ILE 224.A O no hydrogen 3.130 N/A GLN 245.A N LYS 241.A O no hydrogen 2.960 N/A SER 246.A N GLU 242.A O no hydrogen 3.016 N/A TRP 247.A N ASN 243.A O no hydrogen 3.253 N/A VAL 248.A N TRP 244.A O no hydrogen 3.077 N/A ASP 249.A N GLN 245.A O no hydrogen 2.953 N/A ALA 250.A N SER 246.A O no hydrogen 3.096 N/A LEU 251.A N TRP 247.A O no hydrogen 2.848 N/A GLN 252.A N VAL 248.A O no hydrogen 2.908 N/A GLN 252.A NE2 ASP 256.A OXT no hydrogen 3.206 N/A THR 253.A N ASP 249.A O no hydrogen 3.246 N/A THR 253.A N ALA 250.A O no hydrogen 3.313 N/A CYS 254.A N LEU 251.A O no hydrogen 3.230 N/A PHE 255.A N GLN 252.A O no hydrogen 3.073 N/A ASP 256.A N THR 253.A O no hydrogen 3.029 N/A