Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4py1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N CYS 77.A O no hydrogen 2.971 N/A HIS 5.A N TYR 28.A OH no hydrogen 2.806 N/A TYR 8.A N HIS 5.A O no hydrogen 3.199 N/A LEU 9.A N LYS 6.A O no hydrogen 3.258 N/A LYS 10.A N CYS 27.A O no hydrogen 2.885 N/A LYS 11.A NZ ASP 14.A OD2 no hydrogen 3.175 N/A ILE 12.A N LEU 25.A O no hydrogen 2.812 N/A ARG 13.A N LEU 25.A O no hydrogen 3.437 N/A LEU 15.A N VAL 23.A O no hydrogen 2.751 N/A GLY 16.A N VAL 23.A O no hydrogen 3.088 N/A GLY 18.A N GLY 21.A O no hydrogen 2.791 N/A LYS 22.A N ALA 43.A O no hydrogen 3.101 N/A LYS 22.A NZ ASP 14.A OD2 no hydrogen 3.439 N/A VAL 23.A N GLY 16.A O no hydrogen 2.799 N/A SER 24.A N VAL 41.A O no hydrogen 2.967 N/A SER 24.A OG ASP 14.A OD2 no hydrogen 3.056 N/A LEU 25.A N ARG 13.A O no hydrogen 2.689 N/A TYR 26.A N VAL 39.A O no hydrogen 2.763 N/A CYS 27.A N LYS 10.A O no hydrogen 2.783 N/A CYS 27.A SG GLU 37.A O no hydrogen 3.988 N/A TYR 28.A N GLU 37.A O no hydrogen 2.863 N/A ASP 29.A N TYR 8.A O no hydrogen 2.940 N/A THR 31.A N ASP 29.A O no hydrogen 2.778 N/A ASN 32.A N ASP 29.A O no hydrogen 3.112 N/A THR 35.A OG1 ASP 33.A OD2 no hydrogen 3.231 N/A GLU 37.A N TYR 28.A O no hydrogen 3.159 N/A VAL 39.A N TYR 26.A O no hydrogen 2.840 N/A ALA 40.A N MET 90.A O no hydrogen 2.859 N/A VAL 41.A N SER 24.A O no hydrogen 2.850 N/A LYS 42.A N LEU 88.A O no hydrogen 2.768 N/A LYS 42.A NZ GLU 59.A OE1 no hydrogen 3.523 N/A LYS 42.A NZ GLU 59.A OE2 no hydrogen 2.741 N/A LYS 42.A NZ ASP 153.A OD1 no hydrogen 2.773 N/A ALA 43.A N LYS 22.A O no hydrogen 2.841 N/A LYS 45.A N PHE 20.A O no hydrogen 2.830 N/A LYS 45.A NZ GLY 18.A O no hydrogen 2.804 N/A ALA 48.A N LYS 45.A O no hydrogen 3.001 N/A ARG 53.A N GLY 49.A O no hydrogen 2.976 N/A ARG 53.A NH1 ALA 83.A O no hydrogen 3.329 N/A ARG 53.A NH1 ALA 84.A O no hydrogen 3.259 N/A ARG 53.A NH2 ALA 46.A O no hydrogen 3.292 N/A ARG 53.A NH2 ALA 83.A O no hydrogen 2.730 N/A SER 54.A N PRO 50.A O no hydrogen 2.946 N/A SER 54.A OG PRO 50.A O no hydrogen 3.496 N/A SER 54.A OG GLN 51.A O no hydrogen 3.196 N/A GLY 55.A N GLN 51.A O no hydrogen 3.013 N/A TRP 56.A N HIS 52.A O no hydrogen 2.807 N/A TRP 56.A NE1 LEU 86.A O no hydrogen 2.844 N/A LYS 57.A N ARG 53.A O no hydrogen 3.349 N/A GLN 58.A N SER 54.A O no hydrogen 3.168 N/A GLU 59.A N GLY 55.A O no hydrogen 3.017 N/A ILE 60.A N TRP 56.A O no hydrogen 3.036 N/A ASP 61.A N LYS 57.A O no hydrogen 3.104 N/A ILE 62.A N GLN 58.A O no hydrogen 3.051 N/A LEU 63.A N GLU 59.A O no hydrogen 3.135 N/A ARG 64.A N ILE 60.A O no hydrogen 2.803 N/A THR 65.A N ILE 62.A O no hydrogen 3.219 N/A THR 65.A OG1 ASP 61.A O no hydrogen 3.225 N/A THR 65.A OG1 ILE 62.A O no hydrogen 2.953 N/A LEU 66.A N ILE 62.A O no hydrogen 3.024 N/A TYR 67.A N TYR 125.A OH no hydrogen 3.003 N/A HIS 70.A N HIS 68.A ND1 no hydrogen 3.041 N/A HIS 70.A ND1 VAL 149.A O no hydrogen 2.752 N/A ILE 71.A N HIS 68.A O no hydrogen 3.303 N/A ILE 72.A N ILE 151.A O no hydrogen 2.972 N/A LYS 73.A NZ TYR 67.A OH no hydrogen 2.786 N/A LYS 75.A N VAL 89.A O no hydrogen 2.844 N/A GLY 76.A N VAL 89.A O no hydrogen 3.344 N/A CYS 77.A N THR 2.A O no hydrogen 2.988 N/A CYS 77.A SG TYR 74.A OH no hydrogen 3.466 N/A CYS 77.A SG GLY 76.A O no hydrogen 3.633 N/A CYS 77.A SG GLN 87.A O no hydrogen 3.234 N/A CYS 78.A N GLN 87.A O no hydrogen 3.237 N/A CYS 78.A SG GLN 87.A OE1 no hydrogen 3.392 N/A ASP 80.A N SER 85.A O no hydrogen 3.166 N/A ALA 83.A N ASP 80.A O no hydrogen 3.123 N/A ALA 84.A N ALA 81.A O no hydrogen 3.394 N/A SER 85.A N ASP 80.A O no hydrogen 3.274 N/A SER 85.A OG ALA 83.A O no hydrogen 3.536 N/A GLN 87.A N CYS 78.A O no hydrogen 2.886 N/A LEU 88.A N LYS 42.A O no hydrogen 2.793 N/A VAL 89.A N GLY 76.A O no hydrogen 3.008 N/A MET 90.A N ALA 40.A O no hydrogen 2.731 N/A GLU 91.A N LYS 73.A O no hydrogen 3.025 N/A GLY 96.A N VAL 93.A O no hydrogen 3.378 N/A LEU 98.A N VAL 141.A O no hydrogen 2.844 N/A ASP 100.A N SER 97.A O no hydrogen 3.124 N/A ASP 100.A N SER 97.A OG no hydrogen 3.209 N/A TYR 101.A N SER 97.A O no hydrogen 2.888 N/A LEU 102.A N LEU 98.A O no hydrogen 2.920 N/A ARG 104.A N TYR 101.A O no hydrogen 3.132 N/A ARG 104.A NH1 ASP 100.A O no hydrogen 2.799 N/A HIS 105.A N LEU 102.A O no hydrogen 3.376 N/A HIS 105.A ND1 TYR 101.A O no hydrogen 2.782 N/A LEU 112.A N GLY 108.A O no hydrogen 3.221 N/A LEU 113.A N LEU 109.A O no hydrogen 2.996 N/A LEU 114.A N ALA 110.A O no hydrogen 3.159 N/A PHE 115.A N GLN 111.A O no hydrogen 2.959 N/A ALA 116.A N LEU 112.A O no hydrogen 3.019 N/A GLN 117.A N LEU 113.A O no hydrogen 2.893 N/A GLN 118.A N LEU 114.A O no hydrogen 2.961 N/A GLN 118.A NE2 ARG 147.A O no hydrogen 2.960 N/A ILE 119.A N PHE 115.A O no hydrogen 2.821 N/A CYS 120.A N ALA 116.A O no hydrogen 3.110 N/A CYS 120.A SG ALA 116.A O no hydrogen 3.611 N/A GLU 121.A N GLN 117.A O no hydrogen 3.092 N/A GLY 122.A N GLN 118.A O no hydrogen 3.065 N/A MET 123.A N ILE 119.A O no hydrogen 2.903 N/A ALA 124.A N CYS 120.A O no hydrogen 2.819 N/A TYR 125.A N GLU 121.A O no hydrogen 3.210 N/A LEU 126.A N GLY 122.A O no hydrogen 3.105 N/A HIS 127.A N MET 123.A O no hydrogen 2.930 N/A HIS 127.A NE2 ASP 194.A OD2 no hydrogen 2.830 N/A SER 128.A N ALA 124.A O no hydrogen 2.867 N/A SER 128.A OG ALA 124.A O no hydrogen 3.539 N/A SER 128.A OG TYR 125.A O no hydrogen 2.647 N/A GLN 129.A N TYR 125.A O no hydrogen 3.138 N/A HIS 130.A N HIS 127.A O no hydrogen 3.012 N/A TYR 131.A N LEU 126.A O no hydrogen 2.978 N/A ILE 132.A N LYS 158.A O no hydrogen 2.796 N/A HIS 133.A N ASP 194.A OD2 no hydrogen 2.773 N/A ARG 134.A N ASP 194.A OD1 no hydrogen 2.976 N/A ARG 134.A NH1 LEU 156.A O no hydrogen 3.030 N/A ASP 135.A N HIS 133.A ND1 no hydrogen 3.048 N/A ALA 138.A N GLU 204.A OE2 no hydrogen 2.813 N/A ARG 139.A NH1 ASP 135.A OD1 no hydrogen 3.277 N/A ASN 140.A N ALA 137.A O no hydrogen 2.829 N/A ASN 140.A ND2 ASP 135.A O no hydrogen 2.770 N/A ASN 140.A ND2 ASP 135.A OD2 no hydrogen 3.076 N/A VAL 141.A N ALA 138.A O no hydrogen 3.205 N/A LEU 142.A N LYS 150.A O no hydrogen 2.800 N/A LEU 143.A N GLY 96.A O no hydrogen 2.782 N/A ASP 144.A N LEU 148.A O no hydrogen 2.843 N/A ARG 147.A N ASN 145.A OD1 no hydrogen 3.093 N/A LEU 148.A N ASN 145.A O no hydrogen 2.965 N/A VAL 149.A N GLN 118.A OE1 no hydrogen 2.833 N/A LYS 150.A N LEU 142.A O no hydrogen 2.793 N/A LYS 150.A NZ GLU 91.A OE1 no hydrogen 2.790 N/A ILE 151.A N HIS 70.A O no hydrogen 2.814 N/A GLY 152.A N ASN 140.A O no hydrogen 2.760 N/A GLY 155.A N ASP 153.A OD1 no hydrogen 2.740 N/A ALA 157.A N PHE 154.A O no hydrogen 3.173 N/A LYS 158.A N ILE 132.A O no hydrogen 2.938 N/A VAL 160.A N HIS 130.A O no hydrogen 2.779 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 2.772 N/A HIS 164.A N PRO 161.A O no hydrogen 3.118 N/A VAL 168.A N TYR 187.A O no hydrogen 2.799 N/A ASP 171.A N SER 174.A OG no hydrogen 3.393 N/A SER 174.A N ASP 171.A O no hydrogen 3.489 N/A SER 174.A OG ASP 171.A O no hydrogen 3.114 N/A VAL 176.A N SER 174.A O no hydrogen 2.781 N/A TRP 178.A N PRO 175.A O no hydrogen 2.907 N/A TRP 178.A NE1 GLU 204.A OE2 no hydrogen 2.718 N/A TYR 179.A N VAL 176.A O no hydrogen 3.182 N/A TYR 179.A OH ARG 134.A O no hydrogen 2.756 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.936 N/A CYS 183.A N ALA 180.A O no hydrogen 3.081 N/A CYS 183.A SG LYS 188.A O no hydrogen 3.727 N/A LEU 184.A N ALA 180.A O no hydrogen 3.423 N/A LYS 185.A N PRO 181.A O no hydrogen 2.963 N/A GLU 186.A N GLU 182.A O no hydrogen 3.039 N/A PHE 189.A N TYR 166.A O no hydrogen 2.777 N/A TYR 190.A N SER 193.A OG no hydrogen 2.994 N/A SER 193.A N TYR 190.A O no hydrogen 3.088 N/A SER 193.A OG GLU 182.A OE2 no hydrogen 2.673 N/A ASP 194.A N TYR 191.A O no hydrogen 3.095 N/A TRP 196.A N ALA 192.A O no hydrogen 3.176 N/A SER 197.A N SER 193.A O no hydrogen 3.206 N/A SER 197.A OG TRP 178.A O no hydrogen 2.808 N/A SER 197.A OG SER 193.A O no hydrogen 3.282 N/A PHE 198.A N ASP 194.A O no hydrogen 2.943 N/A GLY 199.A N VAL 195.A O no hydrogen 3.075 N/A VAL 200.A N TRP 196.A O no hydrogen 3.238 N/A THR 201.A N SER 197.A O no hydrogen 2.883 N/A THR 201.A OG1 SER 197.A O no hydrogen 3.125 N/A LEU 202.A N PHE 198.A O no hydrogen 2.758 N/A TYR 203.A N GLY 199.A O no hydrogen 3.061 N/A TYR 203.A OH GLN 213.A O no hydrogen 2.648 N/A GLU 204.A N VAL 200.A O no hydrogen 2.913 N/A LEU 205.A N THR 201.A O no hydrogen 2.952 N/A LEU 206.A N LEU 202.A O no hydrogen 3.122 N/A THR 207.A N TYR 203.A O no hydrogen 3.078 N/A THR 207.A N GLU 204.A O no hydrogen 3.155 N/A THR 207.A OG1 TYR 203.A O no hydrogen 3.333 N/A THR 207.A OG1 GLU 204.A O no hydrogen 2.664 N/A HIS 208.A N LEU 205.A O no hydrogen 2.952 N/A CYS 209.A N GLU 204.A O no hydrogen 2.896 N/A CYS 209.A SG LEU 98.A O no hydrogen 3.716 N/A CYS 209.A SG GLU 204.A O no hydrogen 3.864 N/A ASP 210.A N THR 207.A O no hydrogen 3.162 N/A SER 212.A N ASP 210.A OD2 no hydrogen 3.355 N/A SER 212.A OG ASP 210.A OD1 no hydrogen 2.973 N/A SER 212.A OG ASP 210.A OD2 no hydrogen 3.198 N/A GLN 213.A N ASP 210.A O no hydrogen 2.903 N/A SER 214.A N SER 211.A O no hydrogen 3.209 N/A SER 214.A OG SER 211.A O no hydrogen 2.964 N/A SER 214.A OG THR 217.A OG1 no hydrogen 3.045 N/A THR 217.A N SER 214.A OG no hydrogen 3.344 N/A THR 217.A OG1 SER 211.A O no hydrogen 3.061 N/A THR 217.A OG1 SER 214.A OG no hydrogen 3.045 N/A LYS 218.A N SER 214.A O no hydrogen 2.934 N/A LYS 218.A NZ GLN 213.A OE1 no hydrogen 2.918 N/A PHE 219.A N PRO 215.A O no hydrogen 2.897 N/A LEU 220.A N PRO 216.A O no hydrogen 2.833 N/A GLU 221.A N THR 217.A O no hydrogen 3.025 N/A LEU 222.A N LYS 218.A O no hydrogen 3.365 N/A ILE 223.A N PHE 219.A O no hydrogen 2.988 N/A GLY 224.A N LEU 220.A O no hydrogen 2.805 N/A MET 230.A N GLN 227.A O no hydrogen 2.803 N/A ARG 234.A N MET 230.A O no hydrogen 2.961 N/A ARG 234.A NE GLN 227.A OE1 no hydrogen 3.368 N/A LEU 235.A N THR 231.A O no hydrogen 2.984 N/A THR 236.A N VAL 232.A O no hydrogen 2.844 N/A THR 236.A OG1 VAL 232.A O no hydrogen 2.766 N/A GLU 237.A N LEU 233.A O no hydrogen 3.081 N/A LEU 238.A N ARG 234.A O no hydrogen 3.127 N/A LEU 239.A N LEU 235.A O no hydrogen 3.078 N/A GLU 240.A N THR 236.A O no hydrogen 3.046 N/A ARG 241.A N GLU 237.A O no hydrogen 3.039 N/A ARG 241.A NE GLU 243.A OE1 no hydrogen 3.065 N/A ARG 241.A NH2 GLU 243.A OE1 no hydrogen 2.932 N/A GLY 242.A N LEU 239.A O no hydrogen 3.091 N/A GLU 243.A N LEU 238.A O no hydrogen 2.963 N/A ARG 244.A NE TRP 263.A O no hydrogen 2.984 N/A ARG 244.A NH1 LEU 239.A O no hydrogen 2.812 N/A ARG 244.A NH1 GLU 243.A O no hydrogen 2.841 N/A ARG 244.A NH2 TRP 263.A O no hydrogen 2.757 N/A ARG 244.A NH2 THR 265.A OG1 no hydrogen 2.848 N/A ARG 247.A NE CYS 251.A O no hydrogen 2.817 N/A ARG 247.A NH2 CYS 251.A O no hydrogen 3.100 N/A CYS 251.A N PRO 248.A O no hydrogen 2.979 N/A CYS 251.A SG PRO 252.A O no hydrogen 3.296 N/A TYR 256.A N PRO 252.A O no hydrogen 3.106 N/A TYR 256.A OH LEU 245.A O no hydrogen 2.711 N/A HIS 257.A N ALA 253.A O no hydrogen 2.863 N/A LEU 258.A N GLU 254.A O no hydrogen 2.938 N/A MET 259.A N VAL 255.A O no hydrogen 2.960 N/A LYS 260.A N TYR 256.A O no hydrogen 2.914 N/A ASN 261.A N HIS 257.A O no hydrogen 2.880 N/A ASN 261.A ND2 PHE 269.A O no hydrogen 3.570 N/A CYS 262.A N LEU 258.A O no hydrogen 3.130 N/A CYS 262.A SG LEU 258.A O no hydrogen 3.417 N/A TRP 263.A N MET 259.A O no hydrogen 3.124 N/A TRP 263.A N LYS 260.A O no hydrogen 3.097 N/A SER 268.A N GLU 266.A OE2 no hydrogen 3.244 N/A SER 268.A OG GLU 266.A OE2 no hydrogen 3.024 N/A PHE 269.A N GLU 266.A O no hydrogen 3.045 N/A ARG 270.A N ALA 267.A O no hydrogen 3.199 N/A ARG 270.A NE GLU 264.A O no hydrogen 2.740 N/A ARG 270.A NH1 GLU 182.A OE2 no hydrogen 2.757 N/A ARG 270.A NH1 ALA 192.A O no hydrogen 2.918 N/A ARG 270.A NH2 GLU 182.A OE1 no hydrogen 2.880 N/A ARG 270.A NH2 GLU 182.A OE2 no hydrogen 3.552 N/A ARG 270.A NH2 GLU 264.A O no hydrogen 2.946 N/A THR 272.A N ASN 275.A OD1 no hydrogen 2.952 N/A ASN 275.A N THR 272.A OG1 no hydrogen 3.107 N/A LEU 276.A N THR 272.A O no hydrogen 3.080 N/A ILE 277.A N PHE 273.A O no hydrogen 3.136 N/A LEU 280.A N LEU 276.A O no hydrogen 2.860 N/A LYS 281.A N ILE 277.A O no hydrogen 3.018 N/A LYS 281.A NZ GLU 121.A OE2 no hydrogen 3.202 N/A THR 282.A N PRO 278.A O no hydrogen 3.082 N/A THR 282.A OG1 PRO 278.A O no hydrogen 2.986 N/A VAL 283.A N ILE 279.A O no hydrogen 2.898 N/A HIS 284.A N LEU 280.A O no hydrogen 2.795 N/A HIS 284.A ND1 ALA 110.A O no hydrogen 2.857 N/A GLU 285.A N LYS 281.A O no hydrogen 3.085 N/A LYS 286.A N THR 282.A O no hydrogen 3.169 N/A LYS 286.A NZ GLU 254.A OE2 no hydrogen 3.096 N/A TYR 287.A N VAL 283.A O no hydrogen 3.327 N/A GLN 288.A N HIS 284.A O no hydrogen 2.933 N/A GLY 289.A N LYS 286.A O no hydrogen 3.223 N/A