Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2zpy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N ILE 18.A O no hydrogen 2.466 N/A ASN 4.A ND2 ASN 72.A OD1 no hydrogen 3.046 N/A VAL 5.A N PHE 16.A O no hydrogen 2.783 N/A ARG 6.A N LEU 74.A O no hydrogen 2.696 N/A VAL 7.A N LEU 14.A O no hydrogen 2.773 N/A THR 8.A N PHE 76.A O no hydrogen 2.921 N/A THR 8.A OG1 PHE 76.A O no hydrogen 3.457 N/A THR 9.A N ALA 12.A O no hydrogen 2.896 N/A THR 9.A OG1 ASP 11.A OD1 no hydrogen 3.418 N/A THR 9.A OG1 ALA 12.A O no hydrogen 3.555 N/A ASP 11.A N THR 9.A OG1 no hydrogen 3.318 N/A LEU 14.A N VAL 7.A O no hydrogen 2.607 N/A PHE 16.A N VAL 5.A O no hydrogen 2.918 N/A ILE 18.A N ILE 3.A O no hydrogen 2.655 N/A GLN 19.A NE2 THR 22.A OG1 no hydrogen 3.271 N/A THR 22.A N GLN 19.A O no hydrogen 3.383 N/A THR 22.A OG1 GLN 19.A O no hydrogen 2.816 N/A GLY 24.A N LYS 61.A O no hydrogen 3.055 N/A LYS 25.A N LEU 59.A O no hydrogen 2.874 N/A LYS 25.A NZ ASP 29.A OD1 no hydrogen 3.055 N/A LYS 25.A NZ ASP 29.A OD2 no hydrogen 3.012 N/A GLN 26.A N THR 23.A OG1 no hydrogen 3.305 N/A LEU 27.A N THR 23.A O no hydrogen 3.156 N/A PHE 28.A N GLY 24.A O no hydrogen 2.738 N/A ASP 29.A N LYS 25.A O no hydrogen 2.822 N/A GLN 30.A N GLN 26.A O no hydrogen 3.204 N/A VAL 31.A N LEU 27.A O no hydrogen 3.085 N/A VAL 32.A N PHE 28.A O no hydrogen 3.106 N/A LYS 33.A N ASP 29.A O no hydrogen 3.017 N/A THR 34.A N GLN 30.A O no hydrogen 2.972 N/A THR 34.A OG1 GLN 30.A O no hydrogen 2.768 N/A VAL 35.A N VAL 31.A O no hydrogen 3.179 N/A GLY 36.A N LYS 33.A O no hydrogen 3.158 N/A LEU 37.A N VAL 32.A O no hydrogen 2.841 N/A ARG 38.A N GLN 93.A OE1 no hydrogen 2.631 N/A GLU 39.A N GLN 93.A OE1 no hydrogen 3.211 N/A PHE 43.A N VAL 40.A O no hydrogen 3.052 N/A GLY 44.A N ARG 79.A O no hydrogen 2.917 N/A GLN 46.A N LYS 77.A O no hydrogen 2.781 N/A TYR 47.A N THR 55.A O no hydrogen 2.805 N/A TYR 47.A OH GLN 66.A O no hydrogen 2.686 N/A ASP 49.A N TYR 53.A O no hydrogen 3.066 N/A SER 50.A N ASP 67.A O no hydrogen 3.286 N/A SER 50.A N ASP 67.A OD2 no hydrogen 3.338 N/A SER 50.A OG ASP 67.A OD1 no hydrogen 3.121 N/A SER 50.A OG ASP 67.A OD2 no hydrogen 3.010 N/A GLY 52.A N ASP 49.A O no hydrogen 2.877 N/A TYR 53.A N ASP 49.A OD1 no hydrogen 2.459 N/A THR 55.A N TYR 47.A O no hydrogen 2.771 N/A THR 55.A OG1 TYR 53.A O no hydrogen 3.043 N/A LEU 57.A N LEU 45.A O no hydrogen 2.672 N/A LYS 58.A N GLN 66.A OE1 no hydrogen 2.805 N/A VAL 63.A N THR 22.A O no hydrogen 2.729 N/A GLN 65.A N LYS 62.A O no hydrogen 3.140 N/A GLN 66.A NE2 LYS 58.A O no hydrogen 2.993 N/A GLN 66.A NE2 LYS 62.A O no hydrogen 2.946 N/A LYS 69.A N VAL 48.A O no hydrogen 2.635 N/A LEU 74.A N ASN 4.A O no hydrogen 2.809 N/A GLN 75.A NE2 PRO 73.A O no hydrogen 3.171 N/A PHE 76.A N ARG 6.A O no hydrogen 2.800 N/A LYS 77.A N GLN 46.A O no hydrogen 2.856 N/A PHE 78.A N THR 8.A O no hydrogen 2.854 N/A ARG 79.A N GLY 44.A O no hydrogen 3.088 N/A ARG 79.A NH1 THR 8.A O no hydrogen 2.900 N/A ARG 79.A NH1 PHE 78.A O no hydrogen 2.828 N/A ALA 80.A N GLN 103.A OE1 no hydrogen 2.777 N/A LYS 81.A N PHE 42.A O no hydrogen 2.748 N/A PHE 82.A N PHE 42.A O no hydrogen 2.915 N/A ASP 86.A N GLU 90.A OE1 no hydrogen 3.114 N/A VAL 87.A N GLN 194.A OE1 no hydrogen 2.868 N/A SER 88.A N ASP 86.A OD1 no hydrogen 2.830 N/A GLU 90.A N VAL 87.A O no hydrogen 3.189 N/A LEU 91.A N VAL 87.A O no hydrogen 2.926 N/A ILE 92.A N GLU 39.A OE1 no hydrogen 2.720 N/A GLN 93.A N GLU 39.A OE2 no hydrogen 3.154 N/A GLN 93.A NE2 GLY 36.A O no hydrogen 3.032 N/A THR 96.A OG1 GLU 39.A OE2 no hydrogen 2.648 N/A GLN 97.A N GLN 93.A O no hydrogen 3.053 N/A GLN 97.A NE2 LEU 91.A O no hydrogen 2.929 N/A ARG 98.A N GLU 94.A O no hydrogen 2.873 N/A ARG 98.A NE GLU 94.A OE2 no hydrogen 3.058 N/A ARG 98.A NH1 ASP 11.A OD2 no hydrogen 2.976 N/A ARG 98.A NH2 GLU 94.A OE1 no hydrogen 2.843 N/A LEU 99.A N ILE 95.A O no hydrogen 2.940 N/A PHE 100.A N THR 96.A O no hydrogen 3.051 N/A PHE 101.A N GLN 97.A O no hydrogen 2.869 N/A LEU 102.A N ARG 98.A O no hydrogen 2.911 N/A GLN 103.A N LEU 99.A O no hydrogen 2.988 N/A GLN 103.A NE2 ALA 80.A O no hydrogen 3.140 N/A VAL 104.A N PHE 100.A O no hydrogen 2.797 N/A LYS 105.A N PHE 101.A O no hydrogen 2.817 N/A GLU 106.A N LEU 102.A O no hydrogen 3.044 N/A ALA 107.A N GLN 103.A O no hydrogen 3.128 N/A ILE 108.A N VAL 104.A O no hydrogen 2.905 N/A LEU 109.A N LYS 105.A O no hydrogen 2.921 N/A ASN 110.A N GLU 106.A O no hydrogen 2.907 N/A ASP 111.A N ILE 108.A O no hydrogen 3.109 N/A GLU 112.A N ALA 107.A O no hydrogen 2.685 N/A ILE 113.A N ALA 107.A O no hydrogen 3.297 N/A CYS 115.A SG PRO 116.A O no hydrogen 3.523 N/A ALA 120.A N PRO 116.A O no hydrogen 2.868 N/A VAL 121.A N PRO 117.A O no hydrogen 3.039 N/A LEU 122.A N GLU 118.A O no hydrogen 3.238 N/A LEU 123.A N THR 119.A O no hydrogen 2.784 N/A ALA 124.A N ALA 120.A O no hydrogen 2.907 N/A SER 125.A N VAL 121.A O no hydrogen 2.933 N/A TYR 126.A N LEU 122.A O no hydrogen 3.237 N/A TYR 126.A N LEU 123.A O no hydrogen 3.047 N/A ALA 127.A N LEU 123.A O no hydrogen 3.133 N/A VAL 128.A N ALA 124.A O no hydrogen 2.868 N/A GLN 129.A N SER 125.A O no hydrogen 3.114 N/A GLN 129.A NE2 ASP 134.A OD2 no hydrogen 2.943 N/A GLN 129.A NE2 MET 180.A O no hydrogen 3.257 N/A ALA 130.A N TYR 126.A O no hydrogen 2.798 N/A LYS 131.A N ALA 127.A O no hydrogen 2.881 N/A LYS 131.A NZ ASP 148.A OD1 no hydrogen 2.503 N/A TYR 132.A N VAL 128.A O no hydrogen 2.643 N/A TYR 132.A OH ASP 148.A OD2 no hydrogen 2.344 N/A GLY 133.A N GLN 129.A O no hydrogen 2.696 N/A ILE 139.A N ASN 136.A O no hydrogen 2.674 N/A HIS 140.A N ASN 136.A O no hydrogen 2.630 N/A TYR 144.A N LYS 141.A O no hydrogen 3.028 N/A TYR 144.A OH HIS 174.A ND1 no hydrogen 2.857 N/A ALA 146.A N GLY 143.A O no hydrogen 2.952 N/A ASP 148.A N LEU 145.A O no hydrogen 3.009 N/A ARG 149.A NH2 ASN 110.A OD1 no hydrogen 3.548 N/A ARG 154.A N ASP 111.A OD1 no hydrogen 3.056 N/A ARG 154.A NH1 CYS 115.A O no hydrogen 3.425 N/A ARG 154.A NH1 GLN 158.A OE1 no hydrogen 3.139 N/A ARG 154.A NH2 CYS 115.A O no hydrogen 2.600 N/A LEU 156.A N PRO 152.A O no hydrogen 3.256 N/A GLU 157.A N GLN 153.A O no hydrogen 2.914 N/A GLN 158.A N ARG 154.A O no hydrogen 3.103 N/A GLN 158.A NE2 HIS 159.A NE2 no hydrogen 3.312 N/A HIS 159.A N VAL 155.A O no hydrogen 3.217 N/A LEU 161.A N HIS 159.A O no hydrogen 2.847 N/A LYS 163.A NZ LEU 145.A O no hydrogen 2.790 N/A LYS 163.A NZ ASP 148.A O no hydrogen 3.245 N/A LYS 163.A NZ GLU 167.A OE2 no hydrogen 2.643 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.517 N/A GLN 165.A N THR 162.A OG1 no hydrogen 3.188 N/A TRP 166.A N THR 162.A O no hydrogen 3.127 N/A GLU 167.A N LYS 163.A O no hydrogen 2.855 N/A GLU 168.A N GLU 164.A O no hydrogen 2.958 N/A ARG 169.A N GLN 165.A O no hydrogen 3.289 N/A ILE 170.A N TRP 166.A O no hydrogen 2.953 N/A GLN 171.A N GLU 167.A O no hydrogen 2.694 N/A GLN 171.A NE2 GLU 175.A OE1 no hydrogen 3.061 N/A ASN 172.A N GLU 168.A O no hydrogen 3.117 N/A TRP 173.A N ARG 169.A O no hydrogen 3.384 N/A HIS 174.A N ILE 170.A O no hydrogen 2.879 N/A HIS 174.A ND1 TYR 144.A OH no hydrogen 2.857 N/A HIS 174.A NE2 GLY 133.A O no hydrogen 2.783 N/A GLU 175.A N GLN 171.A O no hydrogen 2.906 N/A GLU 176.A N TRP 173.A O no hydrogen 2.829 N/A HIS 177.A N HIS 174.A O no hydrogen 3.063 N/A GLY 179.A N ASP 134.A OD1 no hydrogen 3.124 N/A GLY 179.A N ASP 134.A OD2 no hydrogen 2.719 N/A MET 180.A N HIS 177.A O no hydrogen 2.928 N/A SER 185.A N LEU 181.A O no hydrogen 2.708 N/A SER 185.A OG LEU 181.A O no hydrogen 2.988 N/A MET 186.A N ARG 182.A O no hydrogen 3.130 N/A MET 187.A N GLU 183.A O no hydrogen 3.138 N/A GLU 188.A N ASP 184.A O no hydrogen 2.986 N/A TYR 189.A N SER 185.A O no hydrogen 3.061 N/A LEU 190.A N MET 186.A O no hydrogen 3.099 N/A LYS 191.A N MET 187.A O no hydrogen 2.794 N/A LYS 191.A NZ GLU 188.A OE2 no hydrogen 2.851 N/A ILE 192.A N GLU 188.A O no hydrogen 3.165 N/A ALA 193.A N TYR 189.A O no hydrogen 2.872 N/A GLN 194.A N LEU 190.A O no hydrogen 2.770 N/A GLN 194.A NE2 ASP 86.A OD1 no hydrogen 3.198 N/A ASP 195.A N ILE 192.A O no hydrogen 3.055 N/A LEU 196.A N ALA 193.A O no hydrogen 2.995 N/A GLU 197.A N GLU 197.A OE2 no hydrogen 2.766 N/A TYR 199.A N LEU 196.A O no hydrogen 3.079 N/A ASN 202.A N VAL 218.A O no hydrogen 2.923 N/A ASN 202.A ND2 VAL 218.A O no hydrogen 2.958 N/A TYR 203.A OH LYS 231.A O no hydrogen 2.625 N/A PHE 204.A N LEU 216.A O no hydrogen 2.826 N/A ILE 206.A N LEU 214.A O no hydrogen 2.932 N/A LYS 207.A N TYR 268.A O no hydrogen 3.032 N/A ASN 208.A N THR 212.A O no hydrogen 3.183 N/A GLY 211.A N ASN 208.A O no hydrogen 2.822 N/A THR 212.A OG1 ASN 208.A OD1 no hydrogen 3.514 N/A LEU 214.A N ILE 206.A O no hydrogen 2.800 N/A TRP 215.A N TYR 226.A O no hydrogen 2.989 N/A TRP 215.A NE1 HIS 228.A O no hydrogen 2.965 N/A LEU 216.A N PHE 204.A O no hydrogen 2.675 N/A GLY 217.A N ASN 224.A O no hydrogen 2.723 N/A VAL 218.A N ASN 202.A O no hydrogen 2.877 N/A ASP 219.A N GLY 222.A O no hydrogen 3.044 N/A LEU 221.A N ASP 219.A OD2 no hydrogen 2.780 N/A GLY 222.A N ASP 219.A O no hydrogen 3.190 N/A LEU 223.A N PHE 238.A O no hydrogen 3.320 N/A ASN 224.A N GLY 217.A O no hydrogen 2.927 N/A ILE 225.A N ILE 236.A O no hydrogen 2.916 N/A TYR 226.A N TRP 215.A O no hydrogen 2.856 N/A ASP 229.A N ASP 229.A OD1 no hydrogen 2.661 N/A ASP 230.A N GLU 227.A O no hydrogen 2.982 N/A LEU 232.A N ASP 230.A OD1 no hydrogen 3.288 N/A LYS 235.A N ILE 225.A O no hydrogen 2.509 N/A ILE 236.A N ILE 225.A O no hydrogen 3.280 N/A PHE 238.A N LEU 223.A O no hydrogen 2.744 N/A TRP 240.A N LEU 221.A O no hydrogen 3.386 N/A TRP 240.A NE1 ALA 220.A O no hydrogen 2.909 N/A GLU 242.A N PRO 239.A O no hydrogen 2.820 N/A ILE 243.A N TRP 240.A O no hydrogen 2.906 N/A ARG 244.A N LYS 256.A O no hydrogen 2.734 N/A ARG 244.A NE PRO 257.A O no hydrogen 3.097 N/A ARG 244.A NH2 PRO 257.A O no hydrogen 2.655 N/A ASN 245.A N LYS 256.A O no hydrogen 3.259 N/A SER 247.A N VAL 254.A O no hydrogen 3.036 N/A ASN 249.A N LYS 252.A O no hydrogen 2.730 N/A LYS 252.A N ASN 249.A O no hydrogen 2.823 N/A PHE 253.A N PHE 267.A O no hydrogen 2.708 N/A VAL 254.A N SER 247.A O no hydrogen 2.783 N/A ILE 255.A N PHE 265.A O no hydrogen 2.891 N/A LYS 256.A N ASN 245.A O no hydrogen 3.064 N/A LYS 256.A NZ ASP 264.A OD2 no hydrogen 2.651 N/A ILE 258.A N GLU 242.A O no hydrogen 3.074 N/A PHE 265.A N ILE 255.A O no hydrogen 3.321 N/A PHE 267.A N PHE 253.A O no hydrogen 2.805 N/A TYR 268.A N LYS 207.A O no hydrogen 2.743 N/A ALA 269.A N LYS 251.A O no hydrogen 2.887 N/A ARG 273.A NH1 ASP 49.A OD2 no hydrogen 3.282 N/A ILE 274.A N ARG 271.A O no hydrogen 2.934 N/A ASN 275.A N ARG 271.A O no hydrogen 3.334 N/A ASN 275.A ND2 ASP 250.A O no hydrogen 2.850 N/A LYS 276.A N LEU 272.A O no hydrogen 2.917 N/A ARG 277.A N ARG 273.A O no hydrogen 3.083 N/A ILE 278.A N ILE 274.A O no hydrogen 2.862 N/A LEU 279.A N ASN 275.A O no hydrogen 2.967 N/A ALA 280.A N LYS 276.A O no hydrogen 3.027 N/A LEU 281.A N ARG 277.A O no hydrogen 3.053 N/A CYS 282.A N ILE 278.A O no hydrogen 2.857 N/A CYS 282.A SG ILE 278.A O no hydrogen 3.255 N/A MET 283.A N LEU 279.A O no hydrogen 2.792 N/A GLY 284.A N ALA 280.A O no hydrogen 2.974 N/A ASN 285.A N LEU 281.A O no hydrogen 2.945 N/A ASN 285.A ND2 LEU 281.A O no hydrogen 2.783 N/A HIS 286.A N CYS 282.A O no hydrogen 3.035 N/A GLU 287.A N MET 283.A O no hydrogen 2.993 N/A LEU 288.A N GLY 284.A O no hydrogen 3.154 N/A TYR 289.A N ASN 285.A O no hydrogen 2.939 N/A MET 290.A N HIS 286.A O no hydrogen 2.925 N/A ARG 291.A N GLU 287.A O no hydrogen 3.037 N/A ARG 292.A N LEU 288.A O no hydrogen 3.239 N/A ARG 292.A NE GLU 90.A OE2 no hydrogen 2.748 N/A ARG 292.A NH1 GLU 85.A OE2 no hydrogen 2.951 N/A ARG 292.A NH2 GLU 90.A OE2 no hydrogen 3.220 N/A ARG 293.A N MET 290.A O no hydrogen 3.089 N/A ARG 293.A NH1 GLU 85.A OE2 no hydrogen 2.693 N/A ARG 293.A NH1 TYR 289.A O no hydrogen 2.906 N/A ARG 293.A NH2 GLU 85.A OE1 no hydrogen 3.383 N/A LYS 294.A N MET 290.A O no hydrogen 2.880 N/A