Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xg8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N TYR 23.A OH no hydrogen 3.350 N/A ARG 2.A NH1 ARG 2.A O no hydrogen 3.185 N/A ARG 2.A NH2 GLU 68.A OE1 no hydrogen 2.936 N/A LEU 4.A N ASP 1.A O no hydrogen 2.877 N/A LEU 5.A N ARG 2.A O no hydrogen 2.824 N/A THR 6.A N TYR 22.A O no hydrogen 2.981 N/A GLU 8.A N LYS 20.A O no hydrogen 3.359 N/A LYS 10.A N ASP 9.A OD1 no hydrogen 2.825 N/A GLY 15.A N GLY 16.A O no hydrogen 3.022 N/A THR 17.A N ILE 34.A O no hydrogen 3.275 N/A VAL 18.A N GLY 13.A O no hydrogen 3.444 N/A LYS 19.A N VAL 32.A O no hydrogen 2.917 N/A GLY 21.A N VAL 30.A O no hydrogen 2.733 N/A TYR 22.A N THR 6.A O no hydrogen 3.079 N/A TYR 23.A N LYS 28.A O no hydrogen 2.948 N/A GLN 24.A N LEU 4.A O no hydrogen 3.303 N/A LYS 28.A N TYR 23.A O no hydrogen 3.066 N/A VAL 30.A N GLY 21.A O no hydrogen 2.769 N/A ALA 31.A N MET 74.A O no hydrogen 3.051 N/A VAL 32.A N LYS 19.A O no hydrogen 2.740 N/A LYS 33.A N LEU 72.A O no hydrogen 2.659 N/A ILE 34.A N THR 17.A O no hydrogen 2.798 N/A LEU 35.A N TRP 70.A O no hydrogen 2.930 N/A GLU 42.A N ALA 38.A O no hydrogen 3.291 N/A LEU 43.A N LEU 39.A O no hydrogen 3.045 N/A LEU 44.A N LYS 40.A O no hydrogen 2.699 N/A ALA 45.A N ASP 41.A O no hydrogen 2.794 N/A GLU 46.A N GLU 42.A O no hydrogen 2.563 N/A ALA 47.A N LEU 43.A O no hydrogen 2.973 N/A ASN 48.A N LEU 44.A O no hydrogen 3.101 N/A VAL 49.A N ALA 45.A O no hydrogen 3.264 N/A GLN 51.A N ALA 47.A O no hydrogen 3.236 N/A GLN 52.A N VAL 49.A O no hydrogen 2.988 N/A GLN 52.A NE2 ASN 48.A O no hydrogen 3.613 N/A LEU 53.A N MET 50.A O no hydrogen 2.892 N/A ASP 54.A N TYR 110.A OH no hydrogen 2.836 N/A TYR 57.A N ASN 55.A OD1 no hydrogen 2.676 N/A ILE 58.A N ASN 55.A O no hydrogen 3.266 N/A VAL 59.A N ILE 136.A O no hydrogen 3.235 N/A ARG 60.A NH2 ASP 54.A OD1 no hydrogen 2.596 N/A ILE 62.A N VAL 73.A O no hydrogen 2.757 N/A GLY 63.A N VAL 73.A O no hydrogen 3.200 N/A CYS 65.A N MET 71.A O no hydrogen 2.766 N/A ALA 67.A N SER 69.A O no hydrogen 3.323 N/A MET 71.A N CYS 65.A O no hydrogen 3.074 N/A LEU 72.A N LYS 33.A O no hydrogen 2.907 N/A VAL 73.A N GLY 63.A O no hydrogen 2.999 N/A MET 74.A N ALA 31.A O no hydrogen 2.731 N/A GLU 75.A N ARG 60.A O no hydrogen 2.546 N/A GLY 80.A N ALA 77.A O no hydrogen 3.270 N/A LEU 82.A N VAL 126.A O no hydrogen 2.801 N/A TYR 85.A N PRO 81.A O no hydrogen 3.238 N/A LEU 86.A N LEU 82.A O no hydrogen 2.928 N/A GLN 87.A N ASN 83.A O no hydrogen 2.996 N/A GLN 87.A NE2 GLY 192.A O no hydrogen 3.048 N/A GLN 88.A N LYS 84.A O no hydrogen 3.251 N/A GLN 88.A N TYR 85.A O no hydrogen 2.674 N/A ASN 89.A N LEU 86.A O no hydrogen 2.977 N/A ASN 89.A ND2 TYR 85.A O no hydrogen 3.010 N/A VAL 92.A N ASN 89.A O no hydrogen 3.319 N/A ASN 96.A N LYS 93.A O no hydrogen 2.734 N/A ASN 96.A ND2 GLN 131.A O no hydrogen 3.227 N/A ILE 97.A N LYS 93.A O no hydrogen 3.106 N/A ILE 98.A N ASP 94.A O no hydrogen 2.734 N/A GLU 99.A N LYS 95.A O no hydrogen 3.347 N/A LEU 100.A N ASN 96.A O no hydrogen 2.917 N/A VAL 101.A N ILE 97.A O no hydrogen 2.974 N/A HIS 102.A N ILE 98.A O no hydrogen 2.840 N/A HIS 102.A NE2 GLU 246.A OE2 no hydrogen 2.461 N/A GLN 103.A N GLU 99.A O no hydrogen 3.078 N/A GLN 103.A NE2 HIS 132.A O no hydrogen 2.912 N/A VAL 104.A N LEU 100.A O no hydrogen 3.053 N/A SER 105.A N VAL 101.A O no hydrogen 2.896 N/A SER 105.A OG HIS 102.A O no hydrogen 2.956 N/A MET 106.A N HIS 102.A O no hydrogen 2.848 N/A GLY 107.A N GLN 103.A O no hydrogen 2.735 N/A MET 108.A N VAL 104.A O no hydrogen 2.668 N/A LYS 109.A N SER 105.A O no hydrogen 2.825 N/A LYS 109.A NZ GLU 113.A OE1 no hydrogen 2.934 N/A TYR 110.A N MET 106.A O no hydrogen 3.166 N/A LEU 111.A N GLY 107.A O no hydrogen 3.262 N/A GLU 112.A N MET 108.A O no hydrogen 2.814 N/A GLU 113.A N LYS 109.A O no hydrogen 2.934 N/A SER 114.A N TYR 110.A O no hydrogen 2.849 N/A SER 114.A OG TYR 110.A O no hydrogen 2.615 N/A ASN 115.A N GLU 112.A O no hydrogen 2.580 N/A PHE 116.A N LEU 111.A O no hydrogen 3.041 N/A VAL 117.A N LYS 143.A O no hydrogen 2.808 N/A HIS 118.A N ASP 177.A OD2 no hydrogen 2.723 N/A HIS 118.A NE2 SER 137.A O no hydrogen 2.834 N/A ARG 119.A N ASP 177.A OD1 no hydrogen 3.097 N/A ARG 119.A NH1 LEU 141.A O no hydrogen 2.873 N/A ASP 120.A N HIS 118.A ND1 no hydrogen 3.143 N/A ALA 123.A N GLU 187.A OE1 no hydrogen 3.238 N/A ARG 124.A NH2 ASP 120.A OD1 no hydrogen 3.106 N/A ASN 125.A N ALA 122.A O no hydrogen 3.160 N/A ASN 125.A ND2 ASP 120.A O no hydrogen 2.827 N/A LEU 127.A N LYS 135.A O no hydrogen 2.642 N/A LEU 128.A N GLY 80.A O no hydrogen 2.841 N/A VAL 129.A N TYR 133.A O no hydrogen 2.875 N/A THR 130.A N TYR 133.A O no hydrogen 3.383 N/A GLN 131.A NE2 HIS 132.A NE2 no hydrogen 3.210 N/A HIS 132.A N THR 130.A OG1 no hydrogen 3.221 N/A HIS 132.A ND1 GLU 99.A OE1 no hydrogen 2.997 N/A TYR 133.A N THR 130.A O no hydrogen 3.070 N/A TYR 133.A OH PRO 56.A O no hydrogen 2.634 N/A ALA 134.A N GLN 103.A OE1 no hydrogen 2.900 N/A LYS 135.A N LEU 127.A O no hydrogen 2.771 N/A LYS 135.A NZ PRO 56.A O no hydrogen 2.949 N/A LYS 135.A NZ ILE 58.A O no hydrogen 3.280 N/A LYS 135.A NZ GLU 75.A OE2 no hydrogen 3.295 N/A ILE 136.A N TYR 57.A O no hydrogen 2.991 N/A SER 137.A N ASN 125.A O no hydrogen 2.918 N/A SER 142.A N PHE 139.A O no hydrogen 2.946 N/A SER 142.A OG HIS 118.A O no hydrogen 3.100 N/A SER 142.A OG PHE 139.A O no hydrogen 3.373 N/A LYS 143.A N VAL 117.A O no hydrogen 2.996 N/A LEU 145.A N ASN 115.A O no hydrogen 2.858 N/A GLU 149.A N ARG 146.A O no hydrogen 3.407 N/A TYR 152.A N PHE 172.A O no hydrogen 2.867 N/A LYS 153.A NZ TYR 169.A O no hydrogen 2.727 N/A ALA 154.A N TYR 170.A O no hydrogen 3.159 N/A LYS 160.A NZ TYR 196.A O no hydrogen 3.035 N/A LYS 160.A NZ MET 199.A O no hydrogen 2.761 N/A TRP 161.A N PRO 158.A O no hydrogen 3.192 N/A TRP 161.A NE1 GLU 187.A OE1 no hydrogen 2.700 N/A TYR 162.A N VAL 159.A O no hydrogen 3.092 N/A TYR 162.A OH ARG 119.A O no hydrogen 2.599 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.929 N/A CYS 166.A N ALA 163.A O no hydrogen 3.126 N/A CYS 166.A SG LYS 171.A O no hydrogen 3.320 N/A ILE 167.A N ALA 163.A O no hydrogen 3.311 N/A ASN 168.A N PRO 164.A O no hydrogen 2.945 N/A TYR 169.A N GLU 165.A O no hydrogen 2.969 N/A TYR 170.A N CYS 166.A O no hydrogen 3.124 N/A PHE 172.A N TYR 152.A O no hydrogen 2.832 N/A SER 173.A N SER 176.A OG no hydrogen 2.678 N/A LYS 175.A NZ VAL 236.A O no hydrogen 3.188 N/A LYS 175.A NZ ARG 239.A O no hydrogen 2.454 N/A SER 176.A N SER 173.A O no hydrogen 2.883 N/A SER 176.A N SER 173.A OG no hydrogen 3.164 N/A SER 176.A OG SER 173.A O no hydrogen 2.714 N/A ASP 177.A N SER 173.A O no hydrogen 3.070 N/A VAL 178.A N SER 174.A O no hydrogen 3.022 N/A TRP 179.A N LYS 175.A O no hydrogen 3.264 N/A SER 180.A N SER 176.A O no hydrogen 3.192 N/A SER 180.A OG TRP 161.A O no hydrogen 2.543 N/A SER 180.A OG SER 176.A O no hydrogen 3.511 N/A PHE 181.A N ASP 177.A O no hydrogen 2.909 N/A GLY 182.A N VAL 178.A O no hydrogen 3.027 N/A VAL 183.A N TRP 179.A O no hydrogen 3.204 N/A LEU 184.A N SER 180.A O no hydrogen 2.741 N/A MET 185.A N PHE 181.A O no hydrogen 2.651 N/A TRP 186.A N GLY 182.A O no hydrogen 2.959 N/A TRP 186.A NE1 GLY 215.A O no hydrogen 2.948 N/A GLU 187.A N VAL 183.A O no hydrogen 2.889 N/A ALA 188.A N LEU 184.A O no hydrogen 3.062 N/A PHE 189.A N MET 185.A O no hydrogen 3.178 N/A SER 190.A N TRP 186.A O no hydrogen 2.977 N/A SER 190.A OG TRP 186.A O no hydrogen 3.067 N/A TYR 191.A N ALA 188.A O no hydrogen 3.071 N/A TYR 191.A OH VAL 92.A O no hydrogen 2.577 N/A GLY 192.A N GLU 187.A O no hydrogen 2.949 N/A GLN 193.A N SER 190.A O no hydrogen 2.732 N/A MET 199.A N TYR 196.A O no hydrogen 3.360 N/A LYS 200.A N GLU 203.A OE1 no hydrogen 2.672 N/A GLU 203.A N LYS 200.A O no hydrogen 2.562 N/A VAL 204.A N LYS 200.A O no hydrogen 3.091 N/A THR 205.A N GLY 201.A O no hydrogen 3.058 N/A THR 205.A OG1 GLY 201.A O no hydrogen 3.258 N/A ALA 206.A N SER 202.A O no hydrogen 3.035 N/A MET 207.A N GLU 203.A O no hydrogen 2.753 N/A LEU 208.A N VAL 204.A O no hydrogen 3.054 N/A GLU 209.A N THR 205.A O no hydrogen 3.314 N/A LYS 210.A N ALA 206.A O no hydrogen 3.184 N/A LYS 210.A N MET 207.A O no hydrogen 3.084 N/A GLY 211.A N LEU 208.A O no hydrogen 2.862 N/A GLU 212.A N MET 207.A O no hydrogen 3.139 N/A ARG 213.A NE TRP 232.A O no hydrogen 3.003 N/A ARG 213.A NH1 LEU 208.A O no hydrogen 3.139 N/A ARG 213.A NH1 GLU 212.A O no hydrogen 2.959 N/A ARG 213.A NH2 TRP 232.A O no hydrogen 2.698 N/A CYS 216.A SG PRO 217.A O no hydrogen 3.757 N/A CYS 216.A SG CYS 220.A O no hydrogen 3.858 N/A CYS 220.A N PRO 217.A O no hydrogen 2.995 N/A CYS 220.A SG PRO 221.A O no hydrogen 3.803 N/A GLU 223.A N GLU 223.A OE1 no hydrogen 2.886 N/A MET 224.A N PRO 221.A O no hydrogen 2.859 N/A TYR 225.A N PRO 221.A O no hydrogen 3.195 N/A TYR 225.A OH MET 214.A O no hydrogen 2.711 N/A ASP 226.A N ARG 222.A O no hydrogen 2.760 N/A LEU 227.A N GLU 223.A O no hydrogen 3.146 N/A MET 228.A N MET 224.A O no hydrogen 3.015 N/A ASN 229.A N TYR 225.A O no hydrogen 3.180 N/A LEU 230.A N ASP 226.A O no hydrogen 2.935 N/A CYS 231.A N LEU 227.A O no hydrogen 2.715 N/A CYS 231.A SG LEU 227.A O no hydrogen 3.480 N/A TRP 232.A N MET 228.A O no hydrogen 2.904 N/A THR 233.A N LEU 230.A O no hydrogen 3.233 N/A THR 233.A OG1 LEU 230.A O no hydrogen 2.598 N/A ASN 238.A N ASP 235.A O no hydrogen 3.134 N/A ARG 239.A N ASP 235.A O no hydrogen 3.114 N/A ARG 239.A NE THR 233.A O no hydrogen 2.727 N/A ARG 239.A NH1 GLU 165.A OE1 no hydrogen 3.318 N/A ARG 239.A NH1 GLU 165.A OE2 no hydrogen 2.773 N/A ARG 239.A NH1 LYS 175.A O no hydrogen 3.033 N/A ARG 239.A NH2 GLU 165.A OE1 no hydrogen 2.774 N/A ARG 239.A NH2 THR 233.A O no hydrogen 3.174 N/A ARG 239.A NH2 TYR 234.A O no hydrogen 3.241 N/A PHE 242.A N GLU 112.A OE1 no hydrogen 2.859 N/A VAL 245.A N GLY 241.A O no hydrogen 3.045 N/A GLU 246.A N PHE 242.A O no hydrogen 2.988 N/A LEU 247.A N ALA 243.A O no hydrogen 3.077 N/A ARG 248.A N ALA 244.A O no hydrogen 3.337 N/A LEU 249.A N VAL 245.A O no hydrogen 2.946 N/A ARG 250.A N GLU 246.A O no hydrogen 2.746 N/A ASN 251.A N LEU 247.A O no hydrogen 3.008 N/A TYR 252.A N ARG 248.A O no hydrogen 3.235 N/A TYR 252.A OH GLU 223.A OE1 no hydrogen 3.237 N/A TYR 253.A N LEU 249.A O no hydrogen 2.776 N/A TYR 254.A N ARG 250.A O no hydrogen 3.215 N/A VAL 256.A N TYR 253.A O no hydrogen 3.048 N/A VAL 257.A N TYR 254.A O no hydrogen 3.145 N/A