Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8cai_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH PRO 6.A O no hydrogen 2.799 N/A LYS 7.A NZ GLY 5.A O no hydrogen 3.293 N/A LEU 10.A N LYS 7.A O no hydrogen 3.049 N/A SER 11.A OG LEU 8.A O no hydrogen 2.679 N/A ARG 12.A N LEU 8.A O no hydrogen 2.789 N/A ARG 12.A NE LYS 32.A O no hydrogen 3.184 N/A ARG 12.A NE GLN 35.A O no hydrogen 3.155 N/A ARG 13.A N LYS 9.A O no hydrogen 2.838 N/A GLU 14.A N LEU 10.A O no hydrogen 3.047 N/A GLY 15.A N SER 11.A O no hydrogen 2.789 N/A THR 16.A N SER 11.A O no hydrogen 3.205 N/A PHE 19.A N ASP 17.A OD1 no hydrogen 3.434 N/A ARG 25.A NE THR 29.A OG1 no hydrogen 3.123 N/A ARG 25.A NH2 THR 29.A OG1 no hydrogen 3.306 N/A THR 29.A N ALA 26.A O no hydrogen 3.033 N/A THR 29.A OG1 ALA 26.A O no hydrogen 2.599 N/A LYS 30.A N ILE 27.A O no hydrogen 3.075 N/A CYS 31.A N ILE 27.A O no hydrogen 3.079 N/A CYS 31.A SG ILE 27.A O no hydrogen 3.656 N/A GLN 35.A N LYS 32.A O no hydrogen 3.142 N/A GLY 41.A N GLY 38.A O no hydrogen 3.130 N/A LYS 44.A NZ GLY 41.A O no hydrogen 3.344 N/A LYS 44.A NZ ALA 42.A O no hydrogen 3.020 N/A GLY 51.A N SER 48.A OG no hydrogen 2.973 N/A VAL 52.A N SER 48.A O no hydrogen 2.786 N/A GLN 53.A N ASP 49.A O no hydrogen 3.267 N/A GLN 53.A NE2 ASP 49.A O no hydrogen 3.197 N/A LEU 54.A N TYR 50.A O no hydrogen 2.870 N/A ARG 55.A N GLY 51.A O no hydrogen 3.038 N/A ARG 55.A NE GLU 14.A OE1 no hydrogen 3.246 N/A ARG 55.A NE GLU 14.A OE2 no hydrogen 3.358 N/A ARG 55.A NH2 GLU 14.A OE2 no hydrogen 2.832 N/A GLU 56.A N VAL 52.A O no hydrogen 3.127 N/A LYS 57.A N GLN 53.A O no hydrogen 3.182 N/A LYS 57.A NZ GLN 58.A OE1 no hydrogen 2.838 N/A LYS 57.A NZ GLU 68.A OE1 no hydrogen 2.718 N/A GLN 58.A N LEU 54.A O no hydrogen 2.854 N/A LYS 59.A N ARG 55.A O no hydrogen 2.827 N/A LYS 59.A NZ GLU 56.A OE1 no hydrogen 3.054 N/A LYS 59.A NZ ASP 193.A O no hydrogen 3.286 N/A LYS 59.A NZ ASP 193.A OD2 no hydrogen 3.392 N/A VAL 60.A N GLU 56.A O no hydrogen 3.317 N/A ARG 61.A N LYS 57.A O no hydrogen 3.039 N/A ARG 61.A NE VAL 66.A O no hydrogen 2.778 N/A ARG 61.A NH1 GLU 68.A OE1 no hydrogen 3.538 N/A ARG 62.A N GLN 58.A O no hydrogen 2.923 N/A ILE 63.A N LYS 59.A O no hydrogen 2.959 N/A TYR 64.A N VAL 60.A O no hydrogen 3.323 N/A TYR 64.A OH GLU 94.A OE1 no hydrogen 2.618 N/A GLY 65.A N ARG 61.A O no hydrogen 2.755 N/A VAL 66.A N ARG 61.A O no hydrogen 3.143 N/A PHE 71.A N LEU 67.A O no hydrogen 2.925 N/A ARG 72.A N GLU 68.A O no hydrogen 2.718 N/A ARG 72.A NE ASN 73.A OD1 no hydrogen 3.387 N/A ARG 72.A NH1 ASN 73.A OD1 no hydrogen 3.015 N/A ASN 73.A N ARG 69.A O no hydrogen 3.071 N/A TYR 74.A N GLN 70.A O no hydrogen 3.069 N/A TYR 75.A N PHE 71.A O no hydrogen 3.003 N/A LYS 76.A N ARG 72.A O no hydrogen 3.079 N/A GLU 77.A N ASN 73.A O no hydrogen 3.116 N/A ALA 78.A N TYR 74.A O no hydrogen 2.902 N/A ALA 79.A N TYR 75.A O no hydrogen 2.865 N/A ARG 80.A N LYS 76.A O no hydrogen 3.043 N/A ARG 80.A NE GLU 77.A OE1 no hydrogen 3.208 N/A ARG 80.A NH1 GLU 77.A OE2 no hydrogen 2.734 N/A LEU 81.A N GLU 77.A O no hydrogen 2.889 N/A GLU 87.A N ASN 84.A OD1 no hydrogen 3.005 N/A ASN 88.A N ASN 84.A O no hydrogen 2.999 N/A ASN 88.A ND2 ALA 78.A O no hydrogen 3.185 N/A ASN 88.A ND2 LYS 82.A O no hydrogen 3.140 N/A LEU 89.A N THR 85.A O no hydrogen 3.053 N/A LEU 90.A N GLY 86.A O no hydrogen 3.486 N/A ALA 91.A N GLU 87.A O no hydrogen 3.152 N/A LEU 92.A N ASN 88.A O no hydrogen 3.012 N/A LEU 93.A N LEU 89.A O no hydrogen 3.223 N/A GLU 94.A N LEU 90.A O no hydrogen 2.822 N/A GLY 95.A N ALA 91.A O no hydrogen 2.716 N/A ARG 96.A NE ASP 98.A OD1 no hydrogen 2.951 N/A ARG 96.A NH1 TYR 74.A OH no hydrogen 2.689 N/A ARG 96.A NH2 ASP 98.A OD1 no hydrogen 3.529 N/A ARG 96.A NH2 ASP 98.A OD2 no hydrogen 2.940 N/A ASP 98.A N ALA 132.A O no hydrogen 3.325 N/A VAL 100.A N ARG 96.A O no hydrogen 2.961 N/A VAL 101.A N LEU 97.A O no hydrogen 2.838 N/A TYR 102.A N ASP 98.A O no hydrogen 3.474 N/A ARG 103.A N ASN 99.A O no hydrogen 2.748 N/A ARG 103.A NE GLU 94.A OE2 no hydrogen 3.088 N/A ARG 103.A NH2 GLU 94.A OE1 no hydrogen 2.757 N/A ARG 103.A NH2 GLU 94.A OE2 no hydrogen 3.551 N/A MET 104.A N VAL 100.A O no hydrogen 2.845 N/A GLY 105.A N VAL 101.A O no hydrogen 2.957 N/A PHE 106.A N VAL 101.A O no hydrogen 2.979 N/A ALA 108.A N GLU 112.A OE1 no hydrogen 2.860 N/A GLU 112.A N THR 109.A OG1 no hydrogen 3.045 N/A ALA 113.A N THR 109.A O no hydrogen 3.181 N/A ARG 114.A N ARG 110.A O no hydrogen 2.899 N/A GLN 115.A N ALA 111.A O no hydrogen 3.020 N/A LEU 116.A N GLU 112.A O no hydrogen 2.842 N/A VAL 117.A N ALA 113.A O no hydrogen 3.015 N/A SER 118.A N ARG 114.A O no hydrogen 2.834 N/A HIS 119.A N GLN 115.A O no hydrogen 2.917 N/A LYS 120.A N VAL 117.A O no hydrogen 2.974 N/A ALA 121.A N LEU 116.A O no hydrogen 3.029 N/A MET 123.A N SER 143.A O no hydrogen 2.938 N/A VAL 124.A N ARG 127.A O no hydrogen 2.759 N/A ASN 125.A N VAL 141.A O no hydrogen 2.794 N/A ARG 127.A N VAL 124.A O no hydrogen 3.291 N/A VAL 129.A N ILE 122.A O no hydrogen 3.420 N/A TYR 134.A N ILE 131.A O no hydrogen 3.145 N/A GLN 135.A NE2 LEU 92.A O no hydrogen 3.420 N/A VAL 136.A N GLY 95.A O no hydrogen 2.836 N/A SER 137.A N ASP 140.A OD2 no hydrogen 2.896 N/A SER 137.A OG PRO 138.A O no hydrogen 3.437 N/A SER 137.A OG ASP 140.A OD1 no hydrogen 2.765 N/A SER 137.A OG ASP 140.A OD2 no hydrogen 2.982 N/A ASN 139.A N PHE 181.A O no hydrogen 2.633 N/A ASP 140.A N SER 137.A O no hydrogen 3.326 N/A VAL 141.A N ASN 125.A OD1 no hydrogen 3.028 N/A VAL 142.A N GLY 179.A O no hydrogen 2.792 N/A SER 143.A N MET 123.A O no hydrogen 2.995 N/A ILE 144.A N MET 177.A O no hydrogen 2.951 N/A ARG 145.A N ALA 121.A O no hydrogen 2.798 N/A ARG 145.A NH1 LYS 120.A O no hydrogen 3.318 N/A ALA 148.A N ARG 145.A O no hydrogen 3.012 N/A LYS 149.A NZ GLU 146.A OE2 no hydrogen 3.064 N/A GLN 151.A N ALA 148.A O no hydrogen 3.485 N/A ARG 153.A NH1 GLN 115.A OE1 no hydrogen 2.751 N/A ALA 156.A N SER 152.A O no hydrogen 2.935 N/A ALA 157.A N ARG 153.A O no hydrogen 3.048 N/A LEU 158.A N VAL 154.A O no hydrogen 3.292 N/A GLU 159.A N LYS 155.A O no hydrogen 3.414 N/A LEU 160.A N ALA 156.A O no hydrogen 3.159 N/A ALA 161.A N ALA 157.A O no hydrogen 2.774 N/A GLU 162.A N LEU 158.A O no hydrogen 3.207 N/A GLN 163.A N LEU 160.A O no hydrogen 3.161 N/A ARG 164.A N LEU 160.A O no hydrogen 3.286 N/A ARG 164.A NH2 TYR 102.A O no hydrogen 2.819 N/A GLU 171.A N THR 180.A O no hydrogen 2.922 N/A ASP 173.A N GLU 178.A O no hydrogen 2.912 N/A MET 177.A N ASP 173.A O no hydrogen 3.102 N/A GLY 179.A N VAL 142.A O no hydrogen 2.699 N/A THR 180.A N GLU 171.A O no hydrogen 3.061 N/A PHE 181.A N ASP 140.A O no hydrogen 3.020 N/A LYS 182.A NZ THR 168.A O no hydrogen 2.768 N/A LYS 182.A NZ LEU 170.A O no hydrogen 2.922 N/A ARG 183.A N TRP 169.A O no hydrogen 3.429 N/A ARG 183.A NH1 LYS 184.A O no hydrogen 3.113 N/A ARG 183.A NH1 ASP 189.A OD2 no hydrogen 3.024 N/A ARG 183.A NH2 ASP 189.A OD2 no hydrogen 3.378 N/A GLU 186.A N ASP 189.A OD2 no hydrogen 2.844 N/A ARG 187.A NE GLU 196.A OE2 no hydrogen 2.950 N/A ARG 187.A NH1 ARG 187.A O no hydrogen 2.835 N/A ARG 187.A NH1 SER 191.A O no hydrogen 2.857 N/A ARG 187.A NH2 SER 191.A O no hydrogen 2.845 N/A ARG 187.A NH2 GLU 196.A OE1 no hydrogen 2.953 N/A LEU 190.A N ARG 187.A O no hydrogen 3.073 N/A ASN 195.A N GLU 56.A OE1 no hydrogen 3.434 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.752 N/A HIS 197.A ND1 GLU 201.A OE2 no hydrogen 3.092 N/A LEU 198.A N ASN 195.A O no hydrogen 3.052 N/A ILE 199.A N GLU 196.A O no hydrogen 2.958 N/A VAL 200.A N GLU 196.A O no hydrogen 3.077 N/A GLU 201.A N HIS 197.A O no hydrogen 2.977 N/A LEU 202.A N LEU 198.A O no hydrogen 2.813 N/A TYR 203.A N ILE 199.A O no hydrogen 3.146 N/A TYR 203.A OH GLU 68.A OE1 no hydrogen 3.131 N/A TYR 203.A OH GLU 68.A OE2 no hydrogen 2.680 N/A SER 204.A N GLU 201.A O no hydrogen 2.908 N/A SER 204.A OG VAL 200.A O no hydrogen 3.342 N/A LYS 205.A N LEU 202.A O no hydrogen 3.232 N/A