Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p1y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N LEU 29.A O no hydrogen 2.956 N/A VAL 8.A N ILE 27.A O no hydrogen 3.280 N/A ALA 10.A N ASP 25.A O no hydrogen 2.904 N/A GLU 15.A N LYS 11.A O no hydrogen 3.234 N/A ARG 16.A N LYS 12.A O no hydrogen 2.747 N/A ARG 16.A N SER 13.A O no hydrogen 3.172 N/A ARG 17.A N SER 13.A O no hydrogen 3.394 N/A PHE 19.A N LEU 14.A O no hydrogen 3.050 N/A GLY 20.A N GLU 33.A OE2 no hydrogen 2.595 N/A VAL 21.A N TYR 28.A O no hydrogen 3.110 N/A ARG 23.A N LYS 26.A O no hydrogen 3.032 N/A LYS 26.A N ARG 23.A O no hydrogen 3.122 N/A ILE 27.A N VAL 8.A O no hydrogen 2.849 N/A TYR 28.A N VAL 21.A O no hydrogen 2.857 N/A LEU 29.A N ALA 6.A O no hydrogen 2.897 N/A HIS 30.A N GLU 33.A OE1 no hydrogen 2.749 N/A LEU 32.A N HIS 30.A ND1 no hydrogen 3.026 N/A VAL 34.A N HIS 30.A O no hydrogen 2.870 N/A VAL 35.A N PRO 31.A O no hydrogen 3.079 N/A TYR 36.A N LEU 32.A O no hydrogen 3.071 N/A TYR 36.A OH ASP 74.A OD2 no hydrogen 2.588 N/A LEU 37.A N GLU 33.A O no hydrogen 2.926 N/A GLN 38.A N VAL 34.A O no hydrogen 2.896 N/A ILE 39.A N VAL 35.A O no hydrogen 2.981 N/A LYS 40.A N TYR 36.A O no hydrogen 2.840 N/A LYS 40.A NZ GLU 70.A OE2 no hydrogen 2.877 N/A LYS 40.A NZ ASP 74.A OD1 no hydrogen 3.146 N/A GLY 41.A N GLN 38.A O no hydrogen 2.936 N/A GLU 43.A N LEU 37.A O no hydrogen 3.160 N/A VAL 51.A N GLU 47.A O no hydrogen 3.044 N/A LEU 52.A N LEU 48.A O no hydrogen 2.771 N/A SER 53.A N GLU 49.A O no hydrogen 3.006 N/A TRP 54.A N ASP 50.A O no hydrogen 3.102 N/A TRP 54.A NE1 GLY 2.A O no hydrogen 3.003 N/A TRP 54.A NE1 GLY 3.A O no hydrogen 3.058 N/A ALA 55.A N VAL 51.A O no hydrogen 2.981 N/A GLU 56.A N LEU 52.A O no hydrogen 2.879 N/A SER 57.A N SER 53.A O no hydrogen 3.243 N/A SER 57.A N TRP 54.A O no hydrogen 3.184 N/A SER 57.A OG SER 53.A O no hydrogen 3.088 N/A SER 57.A OG TRP 54.A O no hydrogen 2.734 N/A ARG 58.A N TRP 54.A O no hydrogen 3.083 N/A ARG 58.A N ALA 55.A O no hydrogen 3.201 N/A ARG 58.A NH1 GLY 3.A O no hydrogen 2.720 N/A MET 59.A N ALA 55.A O no hydrogen 3.229 N/A TYR 65.A N ASP 61.A O no hydrogen 3.185 N/A TYR 65.A OH GLU 84.A O no hydrogen 2.498 N/A TYR 66.A N PHE 62.A O no hydrogen 2.749 N/A TYR 66.A OH GLU 70.A OE2 no hydrogen 2.647 N/A PHE 67.A N SER 63.A O no hydrogen 2.985 N/A TYR 69.A N TYR 65.A O no hydrogen 2.822 N/A GLU 70.A N TYR 66.A O no hydrogen 2.705 N/A ASP 71.A N PHE 67.A O no hydrogen 3.040 N/A LEU 72.A N VAL 68.A O no hydrogen 2.994 N/A ARG 73.A N TYR 69.A O no hydrogen 3.007 N/A ARG 73.A NE TYR 69.A OH no hydrogen 2.998 N/A ARG 73.A NH1 ARG 17.A O no hydrogen 2.780 N/A ARG 73.A NH2 ARG 17.A O no hydrogen 2.908 N/A ASP 74.A N GLU 70.A O no hydrogen 2.826 N/A ARG 75.A N LEU 72.A O no hydrogen 3.355 N/A ARG 75.A NE ASP 71.A OD2 no hydrogen 2.788 N/A ARG 75.A NH2 ASP 71.A OD2 no hydrogen 3.236 N/A GLY 76.A N ARG 73.A O no hydrogen 2.852 N/A ASN 77.A ND2 LEU 72.A O no hydrogen 3.047 N/A LYS 80.A N LEU 87.A O no hydrogen 2.779 N/A GLN 82.A N PHE 85.A O no hydrogen 3.105 N/A PHE 85.A N GLN 82.A O no hydrogen 3.084 N/A LEU 86.A N TYR 92.A O no hydrogen 2.979 N/A LEU 87.A N LYS 80.A O no hydrogen 2.682 N/A THR 88.A N LYS 90.A O no hydrogen 2.964 N/A THR 88.A OG1 LYS 90.A O no hydrogen 3.413 N/A LYS 90.A N THR 88.A OG1 no hydrogen 3.152 N/A LYS 90.A NZ GLU 115.A OE1 no hydrogen 3.140 N/A LYS 90.A NZ GLU 115.A OE2 no hydrogen 2.999 N/A TYR 92.A N LEU 86.A O no hydrogen 2.864 N/A TYR 92.A OH VAL 314.A O no hydrogen 2.615 N/A LEU 93.A N ARG 117.A O no hydrogen 2.847 N/A ILE 95.A N ALA 119.A O no hydrogen 2.995 N/A GLU 97.A N VAL 121.A O no hydrogen 3.044 N/A ARG 98.A N SER 96.A OG no hydrogen 3.259 N/A LYS 99.A N SER 96.A O no hydrogen 3.010 N/A THR 100.A OG1 GLU 278.A OE1 no hydrogen 2.787 N/A ILE 101.A N ILE 279.A O no hydrogen 2.843 N/A ILE 106.A N ARG 102.A O no hydrogen 3.050 N/A ALA 107.A N MET 103.A O no hydrogen 2.798 N/A GLU 108.A N GLU 104.A O no hydrogen 3.003 N/A LYS 109.A N GLU 105.A O no hydrogen 3.319 N/A LYS 109.A NZ GLU 84.A OE2 no hydrogen 2.420 N/A ALA 110.A N ILE 106.A O no hydrogen 3.093 N/A ALA 110.A N ALA 107.A O no hydrogen 3.177 N/A ARG 111.A N GLU 108.A O no hydrogen 3.300 N/A PHE 113.A N ALA 110.A O no hydrogen 2.906 N/A LEU 116.A N PHE 113.A O no hydrogen 3.335 N/A ARG 117.A N PRO 91.A O no hydrogen 2.982 N/A ARG 117.A NE GLU 115.A O no hydrogen 2.904 N/A ARG 117.A NH1 VAL 314.A O no hydrogen 3.512 N/A ARG 117.A NH1 VAL 314.A OXT no hydrogen 2.989 N/A ARG 117.A NH2 GLU 115.A O no hydrogen 2.718 N/A LEU 118.A N PHE 130.A O no hydrogen 2.715 N/A ALA 119.A N LEU 93.A O no hydrogen 2.893 N/A VAL 120.A N THR 128.A O no hydrogen 2.887 N/A VAL 121.A N ILE 95.A O no hydrogen 2.934 N/A ASP 122.A N GLU 126.A O no hydrogen 2.572 N/A GLU 123.A N GLU 97.A OE1 no hydrogen 2.608 N/A SER 125.A N ASP 122.A O no hydrogen 2.845 N/A SER 125.A OG GLU 124.A O no hydrogen 2.339 N/A THR 128.A N VAL 120.A O no hydrogen 2.804 N/A TYR 129.A OH ASP 71.A OD2 no hydrogen 2.463 N/A PHE 130.A N LEU 118.A O no hydrogen 2.962 N/A ARG 131.A N GLU 310.A O no hydrogen 2.687 N/A ARG 131.A NH1 GLU 310.A OE2 no hydrogen 2.939 N/A VAL 132.A N LEU 116.A O no hydrogen 2.940 N/A TYR 133.A N CYS 308.A O no hydrogen 3.043 N/A GLY 139.A N ARG 238.A O no hydrogen 2.666 N/A GLU 140.A N ARG 256.A O no hydrogen 2.747 N/A GLN 141.A N GLY 239.A O no hydrogen 2.904 N/A GLN 141.A NE2 VAL 258.A O no hydrogen 3.361 N/A ILE 148.A N LYS 203.A O no hydrogen 2.742 N/A GLY 150.A N ASN 205.A O no hydrogen 3.136 N/A ILE 151.A N ILE 158.A O no hydrogen 2.971 N/A SER 153.A N TYR 156.A O no hydrogen 2.673 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.647 N/A TYR 156.A N SER 153.A O no hydrogen 3.002 N/A VAL 157.A N LEU 190.A O no hydrogen 3.214 N/A ILE 158.A N ILE 151.A O no hydrogen 3.205 N/A THR 159.A N VAL 188.A O no hydrogen 2.975 N/A THR 159.A OG1 ALA 149.A O no hydrogen 2.571 N/A GLN 161.A N THR 159.A OG1 no hydrogen 3.082 N/A THR 162.A N LYS 160.A O no hydrogen 2.852 N/A GLU 163.A N GLU 163.A OE2 no hydrogen 2.535 N/A ILE 164.A N GLN 161.A O no hydrogen 2.996 N/A PHE 165.A N THR 162.A O no hydrogen 2.884 N/A SER 166.A N THR 162.A O no hydrogen 3.057 N/A SER 166.A OG THR 162.A O no hydrogen 3.539 N/A ARG 167.A N GLU 163.A O no hydrogen 2.768 N/A TYR 168.A N GLU 163.A O no hydrogen 3.125 N/A PHE 169.A N PHE 165.A O no hydrogen 2.762 N/A TYR 170.A N ILE 164.A O no hydrogen 2.804 N/A TYR 170.A OH GLU 143.A OE1 no hydrogen 3.102 N/A TYR 170.A OH GLU 143.A OE2 no hydrogen 2.541 N/A GLY 171.A N GLU 194.A OE2 no hydrogen 2.949 N/A SER 172.A N THR 189.A O no hydrogen 2.959 N/A LEU 174.A N PRO 187.A O no hydrogen 3.215 N/A VAL 188.A N THR 159.A O no hydrogen 2.706 N/A THR 189.A N SER 172.A O no hydrogen 2.886 N/A LEU 190.A N VAL 157.A O no hydrogen 2.924 N/A SER 191.A N GLU 194.A OE1 no hydrogen 2.793 N/A GLU 194.A N SER 191.A OG no hydrogen 3.370 N/A SER 195.A N SER 191.A O no hydrogen 2.927 N/A SER 195.A OG SER 191.A O no hydrogen 2.863 N/A LEU 196.A N LEU 192.A O no hydrogen 2.896 N/A TYR 197.A N ILE 193.A O no hydrogen 3.267 N/A LEU 198.A N GLU 194.A O no hydrogen 2.968 N/A LEU 199.A N SER 195.A O no hydrogen 2.838 N/A ASP 200.A N LEU 196.A O no hydrogen 2.802 N/A LEU 201.A N LEU 198.A O no hydrogen 3.209 N/A GLY 202.A N LEU 199.A O no hydrogen 2.976 N/A LYS 203.A N LEU 198.A O no hydrogen 3.023 N/A LYS 203.A NZ LEU 145.A O no hydrogen 2.731 N/A ASN 205.A N ILE 148.A O no hydrogen 2.932 N/A LEU 207.A N GLY 150.A O no hydrogen 2.705 N/A ARG 211.A NH1 ASP 200.A OD1 no hydrogen 3.042 N/A GLU 213.A N ASP 210.A OD1 no hydrogen 2.971 N/A LEU 214.A N ASP 210.A O no hydrogen 3.119 N/A VAL 215.A N ARG 211.A O no hydrogen 2.863 N/A LYS 216.A N GLU 212.A O no hydrogen 2.883 N/A ARG 217.A N GLU 213.A O no hydrogen 2.934 N/A ARG 217.A NH1 GLU 213.A OE2 no hydrogen 2.680 N/A ALA 218.A N LEU 214.A O no hydrogen 2.866 N/A ARG 219.A N VAL 215.A O no hydrogen 2.934 N/A ARG 219.A NE ASP 226.A OD2 no hydrogen 2.982 N/A ARG 219.A NH2 ASP 226.A OD2 no hydrogen 3.144 N/A GLU 220.A N LYS 216.A O no hydrogen 3.027 N/A VAL 221.A N ARG 217.A O no hydrogen 3.134 N/A GLU 222.A N ALA 218.A O no hydrogen 2.868 N/A PHE 225.A N GLU 222.A O no hydrogen 3.363 N/A ARG 227.A NE ASP 275.A OD2 no hydrogen 3.052 N/A ARG 227.A NH1 GLU 230.A OE1 no hydrogen 2.992 N/A ARG 227.A NH2 ASP 275.A OD1 no hydrogen 3.002 N/A ARG 227.A NH2 GLY 303.A O no hydrogen 2.724 N/A ARG 228.A N ASN 224.A O no hydrogen 3.033 N/A ARG 228.A NH2 GLU 251.A O no hydrogen 3.374 N/A TYR 229.A N PHE 225.A O no hydrogen 2.734 N/A TYR 229.A OH ASP 200.A OD2 no hydrogen 2.848 N/A GLU 230.A N ASP 226.A O no hydrogen 3.066 N/A VAL 231.A N ARG 227.A O no hydrogen 3.186 N/A TYR 232.A N ARG 228.A O no hydrogen 3.052 N/A ARG 233.A N TYR 229.A O no hydrogen 2.870 N/A ASN 234.A N GLU 230.A O no hydrogen 2.950 N/A LEU 235.A N VAL 231.A O no hydrogen 2.892 N/A LYS 236.A N TYR 232.A O no hydrogen 2.986 N/A LYS 236.A NZ GLU 143.A OE1 no hydrogen 3.356 N/A LYS 236.A NZ GLU 143.A OE2 no hydrogen 3.496 N/A LYS 236.A NZ TYR 170.A OH no hydrogen 2.929 N/A LYS 236.A NZ PHE 240.A O no hydrogen 3.470 N/A GLU 237.A N ARG 233.A O no hydrogen 2.834 N/A ARG 238.A N ASN 234.A O no hydrogen 3.062 N/A ARG 238.A N LEU 235.A O no hydrogen 3.178 N/A ARG 238.A NE MET 137.A O no hydrogen 2.506 N/A ARG 238.A NH2 MET 137.A O no hydrogen 2.876 N/A GLY 239.A N LYS 236.A O no hydrogen 2.857 N/A PHE 240.A N LEU 235.A O no hydrogen 3.200 N/A VAL 241.A N TYR 255.A O no hydrogen 2.989 N/A LYS 243.A N ARG 253.A O no hydrogen 3.083 N/A LYS 243.A NZ PHE 169.A O no hydrogen 3.044 N/A LYS 243.A NZ GLY 171.A O no hydrogen 2.784 N/A GLY 245.A N GLU 251.A O no hydrogen 3.092 N/A PHE 246.A N THR 244.A OG1 no hydrogen 3.165 N/A PHE 248.A N GLY 245.A O no hydrogen 2.908 N/A GLY 249.A N PHE 246.A O no hydrogen 2.801 N/A SER 250.A N GLY 245.A O no hydrogen 2.969 N/A SER 250.A OG PHE 252.A O no hydrogen 3.019 N/A GLU 251.A N ASP 272.A OD1 no hydrogen 2.994 N/A PHE 252.A N VAL 271.A O no hydrogen 2.987 N/A ARG 253.A N LYS 243.A O no hydrogen 2.878 N/A ARG 253.A NE THR 244.A O no hydrogen 2.802 N/A ARG 253.A NH1 TYR 255.A OH no hydrogen 2.959 N/A ARG 253.A NH2 THR 244.A O no hydrogen 2.880 N/A VAL 254.A N TYR 269.A O no hydrogen 2.866 N/A TYR 255.A N VAL 241.A O no hydrogen 3.072 N/A TYR 255.A OH LEU 264.A O no hydrogen 2.400 N/A ARG 256.A NE GLU 268.A OE1 no hydrogen 2.805 N/A ARG 256.A NH2 GLU 268.A OE1 no hydrogen 3.361 N/A GLU 259.A N ASP 263.A OD2 no hydrogen 3.068 N/A ASP 262.A N SER 260.A OG no hydrogen 3.224 N/A ASP 263.A N SER 260.A O no hydrogen 2.966 N/A LEU 264.A N VAL 261.A O no hydrogen 3.195 N/A HIS 266.A N ASP 263.A O no hydrogen 2.877 N/A GLU 268.A N VAL 254.A O no hydrogen 2.786 N/A TYR 269.A N VAL 254.A O no hydrogen 3.262 N/A LEU 270.A N ARG 297.A O no hydrogen 2.829 N/A VAL 271.A N PHE 252.A O no hydrogen 2.869 N/A ASP 272.A N VAL 299.A O no hydrogen 2.982 N/A ALA 274.A N ALA 301.A O no hydrogen 2.822 N/A ASP 275.A N ALA 301.A O no hydrogen 2.949 N/A ARG 277.A N ALA 274.A O no hydrogen 2.839 N/A ARG 277.A NH1 ILE 273.A O no hydrogen 2.607 N/A ILE 279.A N ILE 101.A O no hydrogen 2.791 N/A ARG 280.A NE ASP 283.A OD2 no hydrogen 2.958 N/A ARG 280.A NH2 ASP 283.A OD1 no hydrogen 2.787 N/A ARG 280.A NH2 ASP 283.A OD2 no hydrogen 3.538 N/A LEU 281.A N LYS 99.A O no hydrogen 3.407 N/A ASP 283.A N ARG 280.A O no hydrogen 2.893 N/A LEU 284.A N ARG 280.A O no hydrogen 2.994 N/A ALA 285.A N LEU 281.A O no hydrogen 2.858 N/A ARG 286.A N ILE 282.A O no hydrogen 3.359 N/A ALA 287.A N ASP 283.A O no hydrogen 3.127 N/A VAL 288.A N LEU 284.A O no hydrogen 2.980 N/A ARG 289.A N ALA 285.A O no hydrogen 3.032 N/A LEU 290.A N ARG 286.A O no hydrogen 3.024 N/A ALA 291.A N ALA 287.A O no hydrogen 3.119 N/A GLN 292.A N VAL 288.A O no hydrogen 2.881 N/A GLN 292.A NE2 VAL 288.A O no hydrogen 2.988 N/A ASN 293.A N ARG 289.A O no hydrogen 2.984 N/A VAL 294.A N LEU 290.A O no hydrogen 2.987 N/A VAL 294.A N ALA 291.A O no hydrogen 3.132 N/A ARG 295.A N GLN 292.A O no hydrogen 3.002 N/A LYS 296.A N ALA 291.A O no hydrogen 2.796 N/A LYS 296.A NZ SER 267.A O no hydrogen 2.958 N/A LYS 296.A NZ SER 267.A OG no hydrogen 2.840 N/A ARG 297.A N GLU 268.A O no hydrogen 2.908 N/A VAL 299.A N LEU 270.A O no hydrogen 2.822 N/A PHE 300.A N LEU 307.A O no hydrogen 2.756 N/A ALA 301.A N ASP 272.A O no hydrogen 2.850 N/A TYR 302.A N ASN 305.A O no hydrogen 3.086 N/A GLY 303.A N ASP 275.A OD1 no hydrogen 2.902 N/A ASN 305.A N TYR 302.A O no hydrogen 3.118 N/A TYR 306.A OH ASN 234.A OD1 no hydrogen 2.623 N/A LEU 307.A N PHE 300.A O no hydrogen 2.839 N/A CYS 308.A N TYR 133.A O no hydrogen 2.878 N/A CYS 308.A SG TYR 133.A OH no hydrogen 3.284 N/A CYS 308.A SG MET 298.A O no hydrogen 3.299 N/A PHE 309.A N MET 298.A O no hydrogen 3.397 N/A GLU 310.A N ARG 131.A O no hydrogen 2.857 N/A VAL 312.A N TYR 129.A O no hydrogen 2.935 N/A