Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2yay_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 6.A N PRO 3.A O no hydrogen 2.964 N/A LEU 7.A N PRO 3.A O no hydrogen 3.123 N/A HIS 8.A N GLY 4.A O no hydrogen 2.916 N/A SER 9.A N ALA 5.A O no hydrogen 3.135 N/A SER 9.A OG ALA 5.A O no hydrogen 3.185 N/A SER 9.A OG TYR 220.A OH no hydrogen 3.046 N/A LEU 10.A N ILE 6.A O no hydrogen 2.921 N/A ALA 11.A N LEU 7.A O no hydrogen 2.989 N/A GLU 12.A N HIS 8.A O no hydrogen 3.115 N/A LEU 13.A N SER 9.A O no hydrogen 3.148 N/A GLN 14.A N LEU 10.A O no hydrogen 2.888 N/A GLN 14.A NE2 ASN 18.A OD1 no hydrogen 2.880 N/A ASP 15.A N ALA 11.A O no hydrogen 2.850 N/A GLY 16.A N GLU 12.A O no hydrogen 3.092 N/A LEU 17.A N LEU 13.A O no hydrogen 3.001 N/A ASN 18.A N GLN 14.A O no hydrogen 2.892 N/A ASN 18.A ND2 SER 79.A OG no hydrogen 2.988 N/A ALA 19.A N ASP 15.A O no hydrogen 2.973 N/A MET 20.A N GLY 16.A O no hydrogen 2.998 N/A ILE 21.A N LEU 17.A O no hydrogen 3.251 N/A ASP 22.A N ASN 18.A O no hydrogen 2.959 N/A TRP 25.A NE1 ASP 15.A OD1 no hydrogen 2.809 N/A ARG 26.A NE SER 86.A OG no hydrogen 2.946 N/A ARG 26.A NH1 ASP 15.A OD1 no hydrogen 3.054 N/A ARG 26.A NH1 ASP 15.A OD2 no hydrogen 3.225 N/A ARG 26.A NH2 ASP 15.A OD2 no hydrogen 3.244 N/A VAL 28.A N SER 24.A O no hydrogen 3.137 N/A ARG 29.A N TRP 25.A O no hydrogen 2.741 N/A ARG 29.A NE ASN 33.A OD1 no hydrogen 2.873 N/A ARG 29.A NH2 ASN 33.A OD1 no hydrogen 3.313 N/A SER 30.A N ASN 33.A OD1 no hydrogen 3.048 N/A ASN 33.A N SER 30.A OG no hydrogen 2.999 N/A TRP 34.A NE1 GLN 83.A OE1 no hydrogen 2.940 N/A ALA 35.A N LEU 31.A O no hydrogen 3.001 N/A LEU 36.A N ASP 32.A O no hydrogen 2.813 N/A ALA 37.A N ASN 33.A O no hydrogen 2.948 N/A ILE 38.A N TRP 34.A O no hydrogen 3.032 N/A THR 39.A N ALA 35.A O no hydrogen 3.037 N/A THR 39.A OG1 ALA 35.A O no hydrogen 2.831 N/A MET 40.A N LEU 36.A O no hydrogen 2.975 N/A GLU 41.A N ALA 37.A O no hydrogen 2.949 N/A SER 42.A N ILE 38.A O no hydrogen 2.894 N/A SER 42.A N THR 39.A O no hydrogen 3.208 N/A SER 42.A OG ILE 38.A O no hydrogen 2.685 N/A THR 43.A N THR 39.A O no hydrogen 3.300 N/A THR 43.A OG1 MET 40.A O no hydrogen 2.956 N/A GLU 44.A N MET 40.A O no hydrogen 3.341 N/A LEU 45.A N GLU 41.A O no hydrogen 2.974 N/A LEU 46.A N SER 42.A O no hydrogen 3.022 N/A ASP 47.A N THR 43.A O no hydrogen 2.922 N/A SER 48.A N LEU 45.A O no hydrogen 2.956 N/A SER 48.A OG GLU 44.A O no hydrogen 3.486 N/A SER 48.A OG LEU 45.A O no hydrogen 3.116 N/A TYR 49.A N LEU 46.A O no hydrogen 3.011 N/A TYR 49.A OH LEU 125.A O no hydrogen 2.575 N/A TRP 51.A NE1 ASP 47.A OD1 no hydrogen 3.019 N/A ALA 59.A N ASN 56.A O no hydrogen 3.224 N/A ASP 62.A N SER 48.A O no hydrogen 2.739 N/A ASN 65.A N ASP 62.A OD1 no hydrogen 2.986 N/A ASN 65.A ND2 SER 48.A OG no hydrogen 2.762 N/A ASN 65.A ND2 GLU 69.A OE2 no hydrogen 2.821 N/A VAL 66.A N ASP 62.A O no hydrogen 3.128 N/A ARG 67.A N LEU 63.A O no hydrogen 3.403 N/A ARG 67.A N ALA 64.A O no hydrogen 3.192 N/A ARG 67.A NH1 TYR 168.A OH no hydrogen 2.912 N/A GLU 69.A N ASN 65.A O no hydrogen 3.058 N/A LEU 70.A N VAL 66.A O no hydrogen 2.872 N/A VAL 71.A N ARG 67.A O no hydrogen 3.209 N/A ASP 72.A N ILE 68.A O no hydrogen 2.891 N/A ILE 73.A N GLU 69.A O no hydrogen 3.078 N/A PHE 74.A N LEU 70.A O no hydrogen 3.019 N/A HIS 75.A N VAL 71.A O no hydrogen 2.968 N/A HIS 75.A ND1 VAL 71.A O no hydrogen 2.823 N/A PHE 76.A N ASP 72.A O no hydrogen 3.184 N/A SER 77.A N ILE 73.A O no hydrogen 2.828 N/A SER 77.A OG ILE 73.A O no hydrogen 2.787 N/A LEU 78.A N PHE 74.A O no hydrogen 2.858 N/A SER 79.A N HIS 75.A O no hydrogen 3.141 N/A SER 79.A OG HIS 75.A O no hydrogen 2.776 N/A GLY 80.A N PHE 76.A O no hydrogen 2.851 N/A ALA 81.A N SER 77.A O no hydrogen 2.929 N/A MET 82.A N LEU 78.A O no hydrogen 3.095 N/A GLN 83.A N SER 79.A O no hydrogen 2.814 N/A GLN 83.A NE2 ARG 26.A O no hydrogen 3.010 N/A MET 84.A N GLY 80.A O no hydrogen 2.880 N/A ARG 85.A N ALA 81.A O no hydrogen 2.935 N/A SER 86.A N MET 82.A O no hydrogen 3.026 N/A SER 86.A OG MET 82.A O no hydrogen 2.881 N/A THR 87.A N MET 84.A O no hydrogen 2.941 N/A THR 87.A OG1 GLN 83.A O no hydrogen 2.669 N/A GLU 91.A N PRO 88.A O no hydrogen 2.891 N/A ILE 92.A N ASP 89.A O no hydrogen 3.313 N/A SER 96.A N PRO 93.A O no hydrogen 3.066 N/A SER 96.A OG PRO 93.A O no hydrogen 2.937 N/A LEU 97.A N ALA 94.A O no hydrogen 2.922 N/A LYS 98.A N ALA 94.A O no hydrogen 2.999 N/A GLU 102.A N PRO 99.A O no hydrogen 2.909 N/A VAL 103.A N LEU 100.A O no hydrogen 3.065 N/A THR 105.A N GLN 140.A OE1 no hydrogen 2.964 N/A PHE 107.A N ASN 137.A OD1 no hydrogen 2.786 N/A CYS 113.A SG LYS 111.A O no hydrogen 3.971 N/A CYS 113.A SG THR 114.A O no hydrogen 3.583 N/A CYS 113.A SG ASN 130.A OD1 no hydrogen 3.808 N/A ASP 116.A N VAL 121.A O no hydrogen 2.945 N/A PHE 120.A N ASP 116.A OD1 no hydrogen 3.154 N/A VAL 121.A N ASP 116.A OD1 no hydrogen 3.084 N/A PHE 122.A N SER 134.A OG no hydrogen 2.986 N/A PHE 123.A N THR 114.A O no hydrogen 3.054 N/A LEU 125.A N ASP 160.A OD2 no hydrogen 2.803 N/A ASP 127.A N PRO 124.A O no hydrogen 3.179 N/A ASN 130.A N ASP 127.A OD1 no hydrogen 3.040 N/A ASN 130.A ND2 PRO 124.A O no hydrogen 2.932 N/A ALA 131.A N ASP 127.A O no hydrogen 3.077 N/A ILE 132.A N THR 128.A O no hydrogen 2.928 N/A ALA 133.A N GLN 129.A O no hydrogen 3.313 N/A SER 134.A N ASN 130.A O no hydrogen 2.889 N/A SER 134.A OG ASN 130.A O no hydrogen 2.600 N/A PHE 135.A N ALA 131.A O no hydrogen 2.927 N/A ARG 136.A N ILE 132.A O no hydrogen 3.065 N/A ASN 137.A N ALA 133.A O no hydrogen 3.192 N/A ASN 137.A ND2 PHE 107.A O no hydrogen 2.877 N/A ASN 137.A ND2 PHE 120.A O no hydrogen 3.143 N/A ILE 138.A N SER 134.A O no hydrogen 3.043 N/A ILE 139.A N PHE 135.A O no hydrogen 3.089 N/A GLN 140.A N ARG 136.A O no hydrogen 3.327 N/A GLN 140.A NE2 THR 105.A O no hydrogen 2.519 N/A GLN 140.A NE2 ARG 136.A O no hydrogen 3.563 N/A LEU 141.A N ASN 137.A O no hydrogen 2.808 N/A ALA 142.A N ILE 138.A O no hydrogen 2.863 N/A ASN 143.A N ILE 139.A O no hydrogen 2.910 N/A ALA 144.A N GLN 140.A O no hydrogen 3.004 N/A TYR 145.A N ALA 142.A O no hydrogen 2.946 N/A TYR 145.A OH ASP 32.A OD1 no hydrogen 2.649 N/A ARG 146.A N LEU 141.A O no hydrogen 3.108 N/A ARG 146.A NE ALA 144.A O no hydrogen 2.725 N/A ARG 146.A NH2 ALA 95.A O no hydrogen 2.527 N/A ARG 146.A NH2 LYS 98.A O no hydrogen 2.845 N/A ILE 150.A N ARG 146.A O no hydrogen 2.949 N/A ILE 151.A N PHE 147.A O no hydrogen 2.866 N/A GLU 152.A N ASP 148.A O no hydrogen 3.221 N/A CYS 153.A N VAL 149.A O no hydrogen 3.121 N/A CYS 153.A SG ASP 116.A OD2 no hydrogen 3.864 N/A CYS 153.A SG VAL 149.A O no hydrogen 3.216 N/A ILE 154.A N ILE 150.A O no hydrogen 3.003 N/A ILE 155.A N ILE 151.A O no hydrogen 3.249 N/A TYR 156.A N GLU 152.A O no hydrogen 3.206 N/A ALA 157.A N CYS 153.A O no hydrogen 2.907 N/A ALA 158.A N ILE 154.A O no hydrogen 2.887 N/A GLU 159.A N ILE 155.A O no hydrogen 2.990 N/A ASP 160.A N TYR 156.A O no hydrogen 3.019 N/A LEU 161.A N ALA 157.A O no hydrogen 2.889 N/A GLY 162.A N GLU 159.A O no hydrogen 3.231 N/A PHE 163.A N ALA 158.A O no hydrogen 3.140 N/A ASN 164.A ND2 SER 210.A O no hydrogen 3.369 N/A ALA 167.A N ASN 164.A OD1 no hydrogen 3.232 N/A TYR 168.A N ASN 164.A O no hydrogen 3.148 N/A TYR 168.A OH HIS 203.A ND1 no hydrogen 2.614 N/A TYR 169.A N LEU 165.A O no hydrogen 2.807 N/A TYR 169.A OH GLN 14.A OE1 no hydrogen 2.674 N/A ILE 170.A N VAL 166.A O no hydrogen 2.965 N/A ALA 171.A N ALA 167.A O no hydrogen 3.104 N/A LYS 172.A N TYR 168.A O no hydrogen 2.994 N/A LYS 172.A NZ ASP 72.A OD1 no hydrogen 2.644 N/A LYS 172.A NZ ASP 72.A OD2 no hydrogen 3.200 N/A LYS 172.A NZ ASN 199.A OD1 no hydrogen 2.841 N/A HIS 173.A N TYR 169.A O no hydrogen 2.745 N/A HIS 173.A NE2 LEU 13.A O no hydrogen 2.857 N/A THR 174.A N ILE 170.A O no hydrogen 2.894 N/A THR 174.A OG1 ILE 170.A O no hydrogen 2.649 N/A LEU 175.A N ALA 171.A O no hydrogen 2.941 N/A ASN 176.A N LYS 172.A O no hydrogen 2.677 N/A ASN 176.A ND2 HIS 75.A NE2 no hydrogen 3.147 N/A CYS 177.A N HIS 173.A O no hydrogen 3.002 N/A CYS 177.A SG HIS 173.A O no hydrogen 3.317 N/A ILE 178.A N THR 174.A O no hydrogen 2.938 N/A ARG 179.A N LEU 175.A O no hydrogen 2.851 N/A ARG 179.A NE ASP 198.A OD2 no hydrogen 2.856 N/A ARG 179.A NH2 ASP 198.A OD1 no hydrogen 2.936 N/A ARG 179.A NH2 ASP 198.A OD2 no hydrogen 3.222 N/A GLN 180.A N ASN 176.A O no hydrogen 3.260 N/A LEU 181.A N CYS 177.A O no hydrogen 3.099 N/A SER 182.A N ARG 179.A O no hydrogen 2.981 N/A SER 182.A OG ILE 178.A O no hydrogen 2.654 N/A TYR 184.A N ARG 179.A O no hydrogen 3.086 N/A LYS 185.A NZ ILE 21.A O no hydrogen 2.347 N/A GLY 187.A N GLY 183.A O no hydrogen 2.958 N/A SER 188.A N GLY 183.A O no hydrogen 3.127 N/A SER 188.A OG ASP 186.A OD1 no hydrogen 2.704 N/A TYR 189.A OH ASP 198.A OD2 no hydrogen 2.576 N/A LYS 191.A NZ GLU 197.A OE2 no hydrogen 3.075 N/A LYS 191.A NZ ASP 198.A OD1 no hydrogen 3.388 N/A ASN 193.A N VAL 196.A O no hydrogen 3.052 N/A ASP 198.A N LYS 191.A O no hydrogen 3.093 N/A ASN 199.A N ASP 198.A OD1 no hydrogen 2.801 N/A ASN 199.A ND2 GLU 197.A OE2 no hydrogen 2.965 N/A SER 200.A N GLU 197.A O no hydrogen 2.901 N/A SER 200.A OG GLU 197.A O no hydrogen 2.661 N/A LEU 201.A N ASP 198.A O no hydrogen 3.092 N/A LEU 202.A N ASN 199.A O no hydrogen 3.085 N/A HIS 203.A ND1 TYR 168.A OH no hydrogen 2.614 N/A CYS 205.A SG LEU 201.A O no hydrogen 3.641 N/A ILE 206.A N HIS 203.A O no hydrogen 3.125 N/A VAL 209.A N ILE 206.A O no hydrogen 3.284 N/A GLU 213.A N SER 210.A OG no hydrogen 3.057 N/A VAL 214.A N SER 210.A O no hydrogen 3.283 N/A LEU 215.A N ASP 212.A O no hydrogen 3.336 N/A TYR 220.A N ASP 216.A O no hydrogen 2.824 N/A TYR 220.A OH SER 9.A OG no hydrogen 3.046 N/A ALA 223.A N LYS 219.A O no hydrogen 3.160 N/A TRP 224.A N TYR 220.A O no hydrogen 2.813 N/A TRP 224.A NE1 VAL 214.A O no hydrogen 2.907 N/A ASN 225.A N VAL 221.A O no hydrogen 2.964 N/A ASN 225.A ND2 GLU 246.A OE1 no hydrogen 3.075 N/A SER 226.A N GLN 222.A O no hydrogen 3.041 N/A SER 226.A OG GLN 222.A O no hydrogen 3.402 N/A SER 226.A OG ALA 223.A O no hydrogen 2.716 N/A ILE 227.A N ALA 223.A O no hydrogen 3.173 N/A MET 228.A N TRP 224.A O no hydrogen 2.926 N/A ALA 229.A N ASN 225.A O no hydrogen 2.893 N/A ASN 230.A N SER 226.A O no hydrogen 2.962 N/A ASN 230.A ND2 CYS 205.A O no hydrogen 3.063 N/A VAL 231.A N ILE 227.A O no hydrogen 2.905 N/A TYR 232.A N MET 228.A O no hydrogen 2.862 N/A GLU 233.A N ALA 229.A O no hydrogen 2.735 N/A ALA 234.A N ASN 230.A O no hydrogen 2.905 N/A PHE 235.A N VAL 231.A O no hydrogen 3.221 N/A PHE 235.A N TYR 232.A O no hydrogen 3.299 N/A GLN 236.A N GLU 233.A O no hydrogen 3.227 N/A GLN 236.A NE2 GLU 233.A O no hydrogen 3.642 N/A GLN 236.A NE2 ALA 234.A O no hydrogen 3.037 N/A ILE 237.A N TYR 232.A O no hydrogen 2.934 N/A SER 240.A OG ASP 241.A OD1 no hydrogen 3.445 N/A ASP 241.A N LYS 238.A O no hydrogen 3.077 N/A ARG 242.A N GLU 239.A O no hydrogen 3.205 N/A ARG 242.A NE ILE 237.A O no hydrogen 2.917 N/A ARG 242.A NH2 ILE 237.A O no hydrogen 2.872 N/A LYS 243.A N TYR 232.A OH no hydrogen 3.148 N/A ALA 245.A N ASN 225.A OD1 no hydrogen 2.945 N/A GLU 246.A N GLU 246.A OE1 no hydrogen 3.013 N/A ARG 247.A N ASP 244.A OD1 no hydrogen 2.920 N/A TRP 248.A N ASP 244.A O no hydrogen 3.066 N/A PHE 249.A N ALA 245.A O no hydrogen 2.751 N/A ALA 250.A N GLU 246.A O no hydrogen 2.770 N/A LEU 251.A N ARG 247.A O no hydrogen 2.943 N/A ALA 252.A N TRP 248.A O no hydrogen 3.030 N/A LYS 253.A N PHE 249.A O no hydrogen 2.881 N/A GLU 254.A N ALA 250.A O no hydrogen 3.154 N/A ASN 255.A N LEU 251.A O no hydrogen 2.989 N/A ARG 256.A N ALA 252.A O no hydrogen 2.854 N/A ARG 256.A NH1 GLU 12.A OE2 no hydrogen 2.593 N/A LEU 257.A N GLU 254.A O no hydrogen 3.208 N/A