Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3py1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 7.A N PHE 4.A O no hydrogen 2.761 N/A PHE 8.A N MET 5.A O no hydrogen 3.217 N/A GLN 9.A N ARG 26.A O no hydrogen 2.822 N/A VAL 11.A N LYS 24.A O no hydrogen 2.917 N/A GLU 12.A N LYS 24.A O no hydrogen 3.436 N/A ILE 14.A N VAL 22.A O no hydrogen 2.891 N/A GLY 15.A N VAL 22.A O no hydrogen 3.307 N/A GLY 17.A N GLY 20.A O no hydrogen 2.609 N/A THR 18.A N ASP 149.A OD1 no hydrogen 3.056 N/A THR 18.A OG1 ASP 149.A OD1 no hydrogen 3.504 N/A GLY 20.A N GLY 17.A O no hydrogen 2.882 N/A VAL 22.A N GLY 15.A O no hydrogen 2.683 N/A TYR 23.A N LEU 36.A O no hydrogen 3.066 N/A LYS 24.A N GLU 12.A O no hydrogen 2.824 N/A ALA 25.A N VAL 34.A O no hydrogen 2.853 N/A ARG 26.A N GLN 9.A O no hydrogen 2.788 N/A ARG 26.A NH1 GLY 31.A O no hydrogen 3.438 N/A ASN 27.A N GLU 32.A O no hydrogen 2.905 N/A LYS 28.A N ASN 7.A O no hydrogen 2.793 N/A LYS 28.A NZ GLU 6.A O no hydrogen 3.211 N/A LEU 29.A N ASN 27.A OD1 no hydrogen 2.695 N/A THR 30.A N ASN 27.A OD1 no hydrogen 3.035 N/A GLY 31.A N ASN 27.A O no hydrogen 2.684 N/A GLU 32.A N THR 30.A OG1 no hydrogen 3.285 N/A VAL 34.A N ALA 25.A O no hydrogen 2.797 N/A ALA 35.A N PHE 84.A O no hydrogen 2.949 N/A LEU 36.A N TYR 23.A O no hydrogen 2.734 N/A LYS 37.A N LEU 82.A O no hydrogen 3.041 N/A ILE 39.A N LEU 80.A O no hydrogen 2.678 N/A LEU 41.A N ASN 78.A O no hydrogen 2.694 N/A GLU 44.A N ASP 42.A O no hydrogen 2.726 N/A ILE 53.A N PRO 49.A O no hydrogen 3.294 N/A ARG 54.A N SER 50.A O no hydrogen 2.840 N/A ARG 54.A N THR 51.A O no hydrogen 2.941 N/A GLU 55.A N THR 51.A O no hydrogen 3.379 N/A ILE 56.A N ALA 52.A O no hydrogen 3.223 N/A SER 57.A N ILE 53.A O no hydrogen 2.837 N/A SER 57.A OG ILE 53.A O no hydrogen 2.966 N/A LEU 58.A N ARG 54.A O no hydrogen 3.181 N/A LEU 59.A N GLU 55.A O no hydrogen 3.103 N/A LYS 60.A N ILE 56.A O no hydrogen 2.823 N/A GLU 61.A N SER 57.A O no hydrogen 3.068 N/A GLU 61.A N LEU 58.A O no hydrogen 3.232 N/A LEU 62.A N LEU 59.A O no hydrogen 3.063 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 2.971 N/A ASN 66.A ND2 GLN 114.A OE1 no hydrogen 2.973 N/A ASN 66.A ND2 ILE 145.A O no hydrogen 2.897 N/A ILE 67.A N HIS 64.A O no hydrogen 3.131 N/A VAL 68.A N LEU 147.A O no hydrogen 3.027 N/A LYS 69.A N GLU 85.A OE2 no hydrogen 2.862 N/A LEU 71.A N VAL 83.A O no hydrogen 2.693 N/A ASP 72.A N VAL 83.A O no hydrogen 3.080 N/A VAL 73.A N ASP 72.A OD1 no hydrogen 2.541 N/A ILE 74.A N TYR 81.A O no hydrogen 2.743 N/A THR 76.A N LYS 79.A O no hydrogen 3.231 N/A LEU 80.A N ILE 39.A O no hydrogen 2.873 N/A TYR 81.A N ILE 74.A O no hydrogen 2.826 N/A LEU 82.A N LYS 37.A O no hydrogen 2.791 N/A VAL 83.A N ASP 72.A O no hydrogen 2.789 N/A PHE 84.A N ALA 35.A O no hydrogen 2.771 N/A GLU 85.A N LYS 69.A O no hydrogen 3.095 N/A GLN 89.A N ILE 139.A O no hydrogen 3.352 N/A LEU 91.A N LEU 137.A O no hydrogen 2.737 N/A LYS 92.A NZ ASP 96.A OD1 no hydrogen 3.256 N/A LYS 93.A N ASP 90.A OD1 no hydrogen 2.799 N/A LYS 93.A NZ ILE 14.A O no hydrogen 2.653 N/A PHE 94.A N ASP 90.A O no hydrogen 3.104 N/A MET 95.A N LEU 91.A O no hydrogen 2.887 N/A ASP 96.A N LYS 92.A O no hydrogen 2.933 N/A ALA 97.A N LYS 93.A O no hydrogen 2.953 N/A SER 98.A N MET 95.A O no hydrogen 2.959 N/A SER 98.A OG PHE 94.A O no hydrogen 3.043 N/A THR 101.A N SER 98.A O no hydrogen 3.155 N/A GLY 102.A N SER 98.A O no hydrogen 2.359 N/A LEU 107.A N PRO 104.A O no hydrogen 3.024 N/A ILE 108.A N PRO 104.A O no hydrogen 3.084 N/A LYS 109.A N LEU 105.A O no hydrogen 2.801 N/A LYS 109.A NZ PHE 289.A O no hydrogen 2.897 N/A LYS 109.A NZ ASP 292.A OD1 no hydrogen 2.945 N/A SER 110.A N PRO 106.A O no hydrogen 2.879 N/A SER 110.A OG THR 294.A O no hydrogen 3.254 N/A TYR 111.A N LEU 107.A O no hydrogen 2.845 N/A LEU 112.A N ILE 108.A O no hydrogen 2.987 N/A PHE 113.A N LYS 109.A O no hydrogen 2.932 N/A GLN 114.A N SER 110.A O no hydrogen 2.941 N/A GLN 114.A NE2 SER 110.A O no hydrogen 3.543 N/A GLN 114.A NE2 SER 110.A OG no hydrogen 3.099 N/A GLN 114.A NE2 GLY 143.A O no hydrogen 2.885 N/A LEU 115.A N TYR 111.A O no hydrogen 2.856 N/A LEU 116.A N LEU 112.A O no hydrogen 2.913 N/A GLN 117.A N PHE 113.A O no hydrogen 3.003 N/A GLY 118.A N GLN 114.A O no hydrogen 2.897 N/A LEU 119.A N LEU 115.A O no hydrogen 2.871 N/A ALA 120.A N LEU 116.A O no hydrogen 2.797 N/A PHE 121.A N GLN 117.A O no hydrogen 3.063 N/A CYS 122.A N GLY 118.A O no hydrogen 2.989 N/A CYS 122.A SG GLY 118.A O no hydrogen 3.400 N/A HIS 123.A N LEU 119.A O no hydrogen 2.787 N/A HIS 123.A NE2 ASP 189.A OD2 no hydrogen 3.006 N/A SER 124.A N ALA 120.A O no hydrogen 3.051 N/A SER 124.A OG ALA 120.A O no hydrogen 3.138 N/A SER 124.A OG PHE 121.A O no hydrogen 3.002 N/A SER 124.A OG HIS 125.A ND1 no hydrogen 2.956 N/A HIS 125.A N CYS 122.A O no hydrogen 2.792 N/A HIS 125.A ND1 PHE 121.A O no hydrogen 2.565 N/A VAL 127.A N CYS 122.A O no hydrogen 2.920 N/A HIS 129.A N ASP 189.A OD2 no hydrogen 2.899 N/A ARG 130.A N ASP 189.A OD1 no hydrogen 2.869 N/A ARG 130.A NE TYR 184.A OH no hydrogen 2.708 N/A ARG 130.A NH1 GLY 151.A O no hydrogen 3.211 N/A LYS 133.A N ASN 136.A OD1 no hydrogen 3.248 N/A LYS 133.A NZ THR 169.A OG1 no hydrogen 2.834 N/A ASN 136.A N LYS 133.A O no hydrogen 3.039 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.899 N/A LEU 137.A N PRO 134.A O no hydrogen 3.165 N/A LEU 138.A N LYS 146.A O no hydrogen 2.911 N/A ILE 139.A N GLN 89.A O no hydrogen 2.877 N/A ASN 140.A N ALA 144.A O no hydrogen 3.008 N/A GLY 143.A N ASN 140.A O no hydrogen 3.240 N/A ALA 144.A N ASN 140.A OD1 no hydrogen 2.877 N/A ILE 145.A N GLN 114.A OE1 no hydrogen 3.195 N/A LYS 146.A N LEU 138.A O no hydrogen 2.603 N/A LYS 146.A NZ GLU 85.A OE1 no hydrogen 3.463 N/A LYS 146.A NZ GLU 85.A OE2 no hydrogen 2.778 N/A LEU 147.A N ASN 66.A O no hydrogen 2.835 N/A GLY 151.A N HIS 129.A O no hydrogen 2.668 N/A ALA 153.A N GLU 55.A OE2 no hydrogen 2.663 N/A ARG 154.A N GLU 55.A OE1 no hydrogen 2.693 N/A VAL 158.A N ARG 40.A O no hydrogen 3.072 N/A THR 162.A N GLU 166.A OE1 no hydrogen 3.124 N/A THR 162.A OG1 THR 164.A OG1.A no hydrogen 2.916 N/A THR 164.A OG1.A GLU 16.A O no hydrogen 3.558 N/A THR 164.A OG1.A THR 162.A OG1 no hydrogen 2.916 N/A HIS 165.A N THR 162.A OG1 no hydrogen 3.358 N/A GLU 166.A N THR 162.A O no hydrogen 2.972 N/A VAL 167.A N TYR 163.A O no hydrogen 2.718 N/A VAL 168.A N TYR 163.A O no hydrogen 3.048 N/A THR 169.A N THR 164.A O no hydrogen 3.019 N/A THR 169.A OG1 THR 164.A O no hydrogen 3.326 N/A THR 169.A OG1 HIS 165.A O no hydrogen 3.131 N/A LEU 170.A N VAL 167.A O no hydrogen 2.866 N/A TRP 171.A N VAL 168.A O no hydrogen 3.034 N/A TRP 171.A NE1 GLY 209.A O no hydrogen 2.816 N/A TYR 172.A N THR 169.A O no hydrogen 3.206 N/A TYR 172.A OH GLU 199.A OE1 no hydrogen 2.534 N/A TYR 172.A OH GLU 199.A OE2 no hydrogen 3.411 N/A ARG 173.A N LEU 170.A O no hydrogen 3.055 N/A ARG 173.A NH1.A GLU 212.A OE1 no hydrogen 3.308 N/A ARG 173.A NH2.B ARG 130.A O no hydrogen 3.017 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.692 N/A ILE 177.A N ALA 174.A O no hydrogen 3.020 N/A LEU 178.A N ALA 174.A O no hydrogen 3.225 N/A LEU 179.A N PRO 175.A O no hydrogen 2.780 N/A GLY 180.A N ILE 177.A O no hydrogen 3.113 N/A CYS 181.A N GLU 176.A O no hydrogen 2.965 N/A CYS 181.A SG GLU 176.A O no hydrogen 2.890 N/A ALA 187.A N SER 185.A OG no hydrogen 3.128 N/A VAL 188.A N SER 185.A O no hydrogen 2.961 N/A ASP 189.A N THR 186.A O no hydrogen 2.953 N/A TRP 191.A N ALA 187.A O no hydrogen 3.111 N/A SER 192.A N VAL 188.A O no hydrogen 3.254 N/A SER 192.A OG TYR 172.A O no hydrogen 2.659 N/A SER 192.A OG VAL 188.A O no hydrogen 3.078 N/A LEU 193.A N ASP 189.A O no hydrogen 2.932 N/A GLY 194.A N ILE 190.A O no hydrogen 2.854 N/A CYS 195.A N TRP 191.A O no hydrogen 2.989 N/A CYS 195.A SG TRP 191.A O no hydrogen 3.569 N/A ILE 196.A N SER 192.A O no hydrogen 3.013 N/A PHE 197.A N LEU 193.A O no hydrogen 2.829 N/A ALA 198.A N GLY 194.A O no hydrogen 3.110 N/A GLU 199.A N CYS 195.A O no hydrogen 3.046 N/A MET 200.A N ILE 196.A O no hydrogen 2.919 N/A VAL 201.A N PHE 197.A O no hydrogen 3.175 N/A THR 202.A N ALA 198.A O no hydrogen 2.886 N/A THR 202.A OG1 ALA 198.A O no hydrogen 3.115 N/A THR 202.A OG1 ARG 204.A O no hydrogen 3.104 N/A ARG 203.A N GLU 199.A O no hydrogen 2.687 N/A ARG 203.A NE ALA 99.A O no hydrogen 2.986 N/A ARG 203.A NH2 ALA 99.A O no hydrogen 2.554 N/A ARG 204.A N THR 202.A OG1 no hydrogen 3.337 N/A GLY 209.A N PHE 207.A O no hydrogen 3.010 N/A GLY 209.A N GLN 215.A OE1 no hydrogen 2.875 N/A ASP 210.A N ASP 214.A OD2 no hydrogen 3.052 N/A ASP 214.A N SER 211.A OG no hydrogen 3.049 N/A GLN 215.A N SER 211.A O no hydrogen 2.738 N/A GLN 215.A NE2 PHE 207.A O no hydrogen 2.800 N/A LEU 216.A N GLU 212.A O no hydrogen 2.947 N/A PHE 217.A N ILE 213.A O no hydrogen 2.980 N/A ARG 218.A N ASP 214.A O no hydrogen 2.935 N/A ARG 218.A NE ASP 214.A OD2 no hydrogen 2.898 N/A ILE 219.A N GLN 215.A O no hydrogen 2.993 N/A PHE 220.A N LEU 216.A O no hydrogen 2.989 N/A ARG 221.A N PHE 217.A O no hydrogen 2.912 N/A THR 222.A N ILE 219.A O no hydrogen 3.090 N/A LEU 223.A N ILE 219.A O no hydrogen 2.914 N/A THR 225.A N TRP 247.A O no hydrogen 2.938 N/A THR 225.A OG1 PRO 245.A O no hydrogen 2.817 N/A VAL 230.A N ASP 227.A OD1 no hydrogen 2.773 N/A TRP 231.A N ASP 227.A O no hydrogen 2.734 N/A GLY 233.A N GLU 228.A OE1 no hydrogen 2.709 N/A VAL 234.A N TRP 231.A O no hydrogen 2.952 N/A THR 235.A N GLU 228.A OE2 no hydrogen 2.902 N/A THR 235.A OG1 GLU 228.A OE2 no hydrogen 2.532 N/A SER 236.A N GLY 233.A O no hydrogen 2.983 N/A MET 237.A N VAL 234.A O no hydrogen 3.183 N/A ASP 239.A N LEU 179.A O no hydrogen 2.870 N/A TYR 240.A N MET 237.A O no hydrogen 2.893 N/A PHE 244.A N LYS 241.A O no hydrogen 2.828 N/A LYS 246.A NZ THR 225.A O no hydrogen 2.973 N/A LYS 246.A NZ TRP 247.A O no hydrogen 3.264 N/A TRP 247.A N THR 225.A OG1 no hydrogen 2.749 N/A GLN 250.A N THR 222.A O no hydrogen 2.844 N/A GLN 250.A NE2 ALA 248.A O no hydrogen 3.510 N/A LYS 254.A N ASP 251.A O no hydrogen 2.755 N/A VAL 255.A N ASP 251.A O no hydrogen 3.013 N/A VAL 256.A N PHE 252.A O no hydrogen 2.680 N/A LEU 259.A N VAL 256.A O no hydrogen 3.294 N/A GLY 263.A N ASP 260.A OD1 no hydrogen 2.937 N/A ARG 264.A N ASP 260.A O no hydrogen 2.935 N/A ARG 264.A NH2 GLU 261.A OE1 no hydrogen 3.011 N/A SER 265.A N GLU 261.A O no hydrogen 2.839 N/A SER 265.A OG HIS 287.A NE2 no hydrogen 2.887 N/A LEU 266.A N ASP 262.A O no hydrogen 3.072 N/A LEU 267.A N GLY 263.A O no hydrogen 2.808 N/A SER 268.A N ARG 264.A O no hydrogen 2.794 N/A SER 268.A OG ARG 264.A O no hydrogen 3.268 N/A SER 268.A OG SER 265.A O no hydrogen 2.821 N/A GLN 269.A N SER 265.A O no hydrogen 3.230 N/A GLN 269.A NE2 SER 265.A O no hydrogen 3.258 N/A GLN 269.A NE2 SER 265.A OG no hydrogen 3.105 N/A MET 270.A N LEU 266.A O no hydrogen 3.059 N/A MET 270.A N LEU 267.A O no hydrogen 3.060 N/A LEU 271.A N LEU 267.A O no hydrogen 2.961 N/A TYR 273.A OH GLY 224.A O no hydrogen 2.592 N/A ASN 276.A N ASP 274.A OD1 no hydrogen 2.741 N/A LYS 277.A N ASP 274.A O no hydrogen 2.868 N/A LYS 277.A NZ VAL 230.A O no hydrogen 3.246 N/A LYS 277.A NZ ASP 274.A OD2 no hydrogen 2.897 N/A ARG 278.A N ASP 274.A O no hydrogen 3.075 N/A ARG 278.A NE HIS 272.A O no hydrogen 2.925 N/A ARG 278.A NH1 GLU 176.A OE1 no hydrogen 3.548 N/A ARG 278.A NH1 GLU 176.A OE2 no hydrogen 2.766 N/A ARG 278.A NH1 ALA 187.A O no hydrogen 2.920 N/A ARG 278.A NH2 GLU 176.A OE1 no hydrogen 2.991 N/A ARG 278.A NH2 GLU 176.A OE2 no hydrogen 3.534 N/A ARG 278.A NH2 HIS 272.A O no hydrogen 3.077 N/A ARG 278.A NH2 TYR 273.A O no hydrogen 3.008 N/A ILE 279.A N GLN 269.A O no hydrogen 2.948 N/A ALA 283.A N SER 280.A OG no hydrogen 2.899 N/A ALA 284.A N SER 280.A O no hydrogen 2.855 N/A LEU 285.A N ALA 281.A O no hydrogen 3.213 N/A LEU 285.A N LYS 282.A O no hydrogen 3.270 N/A ALA 286.A N ALA 283.A O no hydrogen 3.053 N/A HIS 287.A N ALA 284.A O no hydrogen 2.876 N/A HIS 287.A NE2 SER 265.A OG no hydrogen 2.887 N/A PHE 289.A N HIS 287.A ND1 no hydrogen 2.962 N/A PHE 290.A N HIS 287.A O no hydrogen 2.943 N/A GLN 291.A N PRO 288.A O no hydrogen 3.026 N/A VAL 293.A N PHE 290.A O no hydrogen 3.096 N/A