Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pke_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ALA 7.A O no hydrogen 2.820 N/A ALA 1.A N GLU 8.A OE1 no hydrogen 3.221 N/A ALA 1.A N GLU 8.A OE2 no hydrogen 3.144 N/A THR 2.A N ILE 5.A O no hydrogen 2.758 N/A THR 2.A OG1 ILE 5.A O no hydrogen 3.125 N/A THR 2.A OG1 GLU 75.A OE1 no hydrogen 2.879 N/A HIS 4.A ND1 GLU 75.A OE2 no hydrogen 2.960 N/A ILE 5.A N THR 2.A O no hydrogen 3.235 N/A ALA 7.A N ILE 5.A O no hydrogen 3.182 N/A GLU 8.A N ASP 11.A OD2 no hydrogen 2.942 N/A ASP 11.A N GLU 8.A O no hydrogen 3.035 N/A ALA 13.A N SER 58.A OG no hydrogen 2.992 N/A VAL 16.A N LYS 84.A O no hydrogen 3.056 N/A LEU 17.A N SER 58.A O no hydrogen 2.800 N/A MET 18.A N ILE 86.A O no hydrogen 2.946 N/A LEU 23.A N ASP 21.A OD1 no hydrogen 2.865 N/A ARG 24.A N ASP 21.A O no hydrogen 2.924 N/A ARG 24.A NH2 GLN 218.A OE1 no hydrogen 2.879 N/A ALA 25.A N PRO 22.A O no hydrogen 3.412 N/A ILE 28.A N ARG 24.A O no hydrogen 3.008 N/A ALA 29.A N ALA 25.A O no hydrogen 3.008 N/A GLU 30.A N LYS 26.A O no hydrogen 3.156 N/A THR 31.A N TYR 27.A O no hydrogen 2.936 N/A THR 31.A OG1 TYR 27.A O no hydrogen 2.846 N/A PHE 32.A N ILE 28.A O no hydrogen 2.787 N/A LEU 33.A N ALA 29.A O no hydrogen 3.160 N/A GLU 34.A N THR 51.A O no hydrogen 2.896 N/A ARG 37.A N THR 49.A O no hydrogen 3.095 N/A VAL 39.A N GLY 47.A O no hydrogen 2.850 N/A GLY 44.A N ASN 41.A O no hydrogen 2.904 N/A MET 45.A N VAL 42.A O no hydrogen 3.027 N/A GLY 47.A N ASN 40.A O no hydrogen 3.202 N/A PHE 48.A N VAL 59.A O no hydrogen 2.833 N/A THR 49.A N ARG 37.A O no hydrogen 3.193 N/A THR 49.A OG1 ASP 11.A O no hydrogen 2.668 N/A THR 49.A OG1 SER 58.A OG no hydrogen 2.697 N/A GLY 50.A N ILE 57.A O no hydrogen 2.846 N/A THR 51.A N GLU 34.A O no hydrogen 3.070 N/A TYR 52.A N ARG 55.A O no hydrogen 2.758 N/A TYR 52.A OH GLU 230.A OE2 no hydrogen 2.612 N/A LYS 53.A NZ GLU 230.A OE2 no hydrogen 3.018 N/A ARG 55.A N TYR 52.A O no hydrogen 2.976 N/A ARG 55.A NE ASP 236.A OD1 no hydrogen 2.816 N/A ARG 55.A NH1 ASP 14.A OD1 no hydrogen 3.315 N/A ARG 55.A NH1 ASP 14.A OD2 no hydrogen 3.329 N/A ARG 55.A NH1 ASP 236.A OD2 no hydrogen 3.318 N/A ARG 55.A NH2 ASP 14.A OD1 no hydrogen 2.620 N/A ARG 55.A NH2 LYS 56.A O no hydrogen 2.964 N/A LYS 56.A NZ GLY 10.A O no hydrogen 3.237 N/A ILE 57.A N GLY 50.A O no hydrogen 2.814 N/A SER 58.A N VAL 15.A O no hydrogen 3.267 N/A SER 58.A OG THR 49.A OG1 no hydrogen 2.697 N/A VAL 59.A N PHE 48.A O no hydrogen 2.861 N/A MET 60.A N LEU 17.A O no hydrogen 3.058 N/A HIS 62.A N PRO 19.A O no hydrogen 3.114 N/A GLY 65.A N GLU 181.A OE2 no hydrogen 3.347 N/A SER 68.A OG HIS 62.A O no hydrogen 2.801 N/A CYS 69.A N GLY 65.A O no hydrogen 3.259 N/A CYS 69.A SG GLY 65.A O no hydrogen 3.551 N/A CYS 69.A SG ILE 66.A O no hydrogen 3.561 N/A SER 70.A N ILE 66.A O no hydrogen 3.043 N/A SER 70.A OG ILE 66.A O no hydrogen 2.633 N/A ILE 71.A N SER 68.A O no hydrogen 3.084 N/A TYR 72.A N SER 68.A O no hydrogen 3.449 N/A THR 73.A N CYS 69.A O no hydrogen 2.974 N/A THR 73.A OG1 CYS 69.A O no hydrogen 2.783 N/A THR 73.A OG1 SER 70.A O no hydrogen 3.553 N/A LYS 74.A N SER 70.A O no hydrogen 3.217 N/A LYS 74.A NZ THR 78.A OG1 no hydrogen 3.152 N/A GLU 75.A N ILE 71.A O no hydrogen 3.110 N/A LEU 76.A N TYR 72.A O no hydrogen 3.111 N/A ILE 77.A N THR 73.A O no hydrogen 3.142 N/A THR 78.A N LYS 74.A O no hydrogen 3.026 N/A THR 78.A OG1 LYS 74.A O no hydrogen 3.068 N/A THR 78.A OG1 ASP 79.A OD1 no hydrogen 2.607 N/A ASP 79.A N GLU 75.A O no hydrogen 2.872 N/A PHE 80.A N LEU 76.A O no hydrogen 3.148 N/A VAL 82.A N LEU 76.A O no hydrogen 3.168 N/A LYS 83.A N ASP 14.A O no hydrogen 2.855 N/A LYS 83.A NZ ASP 14.A OD2 no hydrogen 2.884 N/A LYS 84.A N ASP 14.A O no hydrogen 3.108 N/A ILE 85.A N LYS 195.A O no hydrogen 2.846 N/A ILE 86.A N VAL 16.A O no hydrogen 3.046 N/A ARG 87.A N LEU 197.A O no hydrogen 2.861 N/A ARG 87.A NE GLU 179.A OE2 no hydrogen 3.373 N/A VAL 88.A N MET 18.A O no hydrogen 3.128 N/A GLY 89.A N ILE 199.A O no hydrogen 3.058 N/A CYS 91.A N THR 201.A O no hydrogen 3.178 N/A GLY 92.A N VAL 178.A O no hydrogen 2.998 N/A ALA 93.A N ASP 204.A O no hydrogen 2.920 N/A VAL 98.A N LEU 95.A O no hydrogen 3.185 N/A LYS 99.A N ASP 102.A OD1 no hydrogen 3.062 N/A ARG 101.A N VAL 202.A O no hydrogen 2.855 N/A ARG 101.A NE THR 220.A OG1 no hydrogen 2.932 N/A ASP 102.A N LYS 99.A O no hydrogen 3.124 N/A VAL 104.A N CYS 200.A O no hydrogen 2.651 N/A ILE 105.A N ARG 149.A O no hydrogen 2.841 N/A GLY 106.A N THR 198.A O no hydrogen 3.091 N/A MET 107.A N GLY 151.A O no hydrogen 2.960 N/A ALA 109.A N ALA 127.A O no hydrogen 3.012 N/A CYS 110.A N LEU 153.A O no hydrogen 2.709 N/A CYS 110.A SG ASN 152.A OD1 no hydrogen 3.502 N/A CYS 110.A SG LEU 153.A O no hydrogen 3.746 N/A THR 111.A OG1 SER 155.A O no hydrogen 2.810 N/A SER 113.A N THR 111.A OG1 no hydrogen 2.870 N/A VAL 115.A N SER 113.A OG no hydrogen 3.122 N/A ILE 118.A N LYS 114.A O no hydrogen 3.035 N/A ARG 119.A N VAL 115.A O no hydrogen 3.238 N/A ARG 119.A N ASN 116.A O no hydrogen 3.042 N/A ARG 119.A NE GLU 191.A OE2 no hydrogen 2.941 N/A ARG 119.A NH2 GLU 191.A OE2 no hydrogen 3.482 N/A PHE 120.A N ASN 116.A O no hydrogen 2.727 N/A ASP 122.A N ARG 117.A O no hydrogen 2.727 N/A HIS 123.A N PHE 120.A O no hydrogen 2.826 N/A ALA 129.A N MET 107.A O no hydrogen 2.859 N/A ASP 130.A N ALA 196.A O no hydrogen 3.240 N/A MET 133.A N ASP 130.A OD1 no hydrogen 2.889 N/A VAL 134.A N ASP 130.A O no hydrogen 3.123 N/A ARG 135.A N PHE 131.A O no hydrogen 2.974 N/A ARG 135.A NH2 ASP 132.A OD1 no hydrogen 2.661 N/A ASN 136.A N ASP 132.A O no hydrogen 2.812 N/A ALA 137.A N MET 133.A O no hydrogen 3.121 N/A VAL 138.A N VAL 134.A O no hydrogen 3.063 N/A ASP 139.A N ARG 135.A O no hydrogen 2.974 N/A ALA 140.A N ASN 136.A O no hydrogen 2.935 N/A ALA 141.A N ALA 137.A O no hydrogen 3.031 N/A LYS 142.A N VAL 138.A O no hydrogen 3.101 N/A LYS 142.A NZ ILE 146.A O no hydrogen 3.282 N/A ALA 143.A N ASP 139.A O no hydrogen 3.075 N/A LEU 144.A N ALA 140.A O no hydrogen 3.194 N/A LEU 144.A N ALA 141.A O no hydrogen 2.971 N/A GLY 145.A N LYS 142.A O no hydrogen 2.808 N/A ILE 146.A N ALA 141.A O no hydrogen 2.866 N/A ARG 149.A N VAL 103.A O no hydrogen 3.113 N/A ARG 149.A NE ASP 102.A OD1 no hydrogen 2.731 N/A ARG 149.A NH2 ASP 102.A OD1 no hydrogen 3.156 N/A GLY 151.A N ILE 105.A O no hydrogen 3.162 N/A LEU 153.A N GLY 108.A O no hydrogen 2.996 N/A PHE 154.A N GLY 177.A O no hydrogen 3.054 N/A SER 155.A N CYS 110.A O no hydrogen 2.788 N/A SER 155.A OG GLU 179.A OE1 no hydrogen 2.638 N/A ALA 156.A N GLU 179.A O no hydrogen 2.854 N/A ASP 157.A N ASP 112.A OD2 no hydrogen 2.997 N/A SER 161.A OG ASP 163.A O no hydrogen 3.245 N/A SER 161.A OG ASP 163.A OD1 no hydrogen 2.837 N/A PHE 167.A N GLY 164.A O no hydrogen 3.225 N/A ASP 168.A N GLU 165.A O no hydrogen 2.893 N/A VAL 169.A N GLU 165.A O no hydrogen 3.381 N/A MET 170.A N MET 166.A O no hydrogen 2.978 N/A GLU 171.A N PHE 167.A O no hydrogen 3.123 N/A LYS 172.A N ASP 168.A O no hydrogen 3.010 N/A TYR 173.A N VAL 169.A O no hydrogen 3.203 N/A GLY 174.A N GLU 171.A O no hydrogen 3.278 N/A ILE 175.A N MET 170.A O no hydrogen 3.011 N/A LEU 176.A N ASN 152.A O no hydrogen 2.823 N/A VAL 178.A N GLY 92.A O no hydrogen 2.729 N/A GLU 179.A N PHE 154.A O no hydrogen 2.979 N/A MET 180.A N GLU 181.A OE1 no hydrogen 3.125 N/A GLU 181.A N GLU 179.A OE1 no hydrogen 3.031 N/A GLU 181.A N GLU 179.A OE2 no hydrogen 3.177 N/A ALA 182.A N GLU 179.A OE2 no hydrogen 2.881 N/A ALA 183.A N SER 155.A OG no hydrogen 3.084 N/A GLY 184.A N GLU 181.A O no hydrogen 2.621 N/A ILE 185.A N GLU 181.A O no hydrogen 3.212 N/A TYR 186.A N ALA 182.A O no hydrogen 2.917 N/A TYR 186.A OH GLY 106.A O no hydrogen 2.706 N/A GLY 187.A N ALA 183.A O no hydrogen 3.134 N/A VAL 188.A N GLY 184.A O no hydrogen 3.106 N/A ALA 189.A N ILE 185.A O no hydrogen 2.922 N/A ALA 190.A N TYR 186.A O no hydrogen 3.221 N/A GLU 191.A N GLY 187.A O no hydrogen 3.004 N/A PHE 192.A N VAL 188.A O no hydrogen 3.039 N/A ALA 194.A N ALA 189.A O no hydrogen 2.939 N/A LYS 195.A N LYS 83.A O no hydrogen 3.006 N/A LEU 197.A N ILE 85.A O no hydrogen 2.984 N/A ILE 199.A N ARG 87.A O no hydrogen 2.954 N/A CYS 200.A N VAL 104.A O no hydrogen 2.890 N/A THR 201.A N GLY 89.A O no hydrogen 3.083 N/A VAL 202.A N ASP 102.A O no hydrogen 2.800 N/A SER 203.A N CYS 91.A O no hydrogen 2.880 N/A SER 203.A OG CYS 91.A O no hydrogen 3.366 N/A SER 203.A OG ASP 204.A OD1 no hydrogen 3.060 N/A HIS 205.A ND1 ILE 206.A O no hydrogen 3.310 N/A HIS 205.A NE2 LEU 95.A O no hydrogen 2.818 N/A HIS 209.A ND1 GLU 210.A O no hydrogen 3.008 N/A THR 213.A N GLU 216.A OE2 no hydrogen 3.019 N/A GLU 216.A N THR 213.A OG1 no hydrogen 3.109 N/A ARG 217.A N THR 213.A O no hydrogen 3.135 N/A ARG 217.A NH1 VAL 202.A O no hydrogen 3.296 N/A GLN 218.A N ALA 214.A O no hydrogen 3.309 N/A THR 219.A N ALA 215.A O no hydrogen 3.189 N/A THR 219.A OG1 ALA 215.A O no hydrogen 3.112 N/A THR 220.A N GLU 216.A O no hydrogen 3.060 N/A THR 220.A OG1 GLU 216.A O no hydrogen 3.270 N/A PHE 221.A N ARG 217.A O no hydrogen 3.006 N/A ASN 222.A N GLN 218.A O no hydrogen 2.909 N/A ASN 222.A ND2 TYR 27.A OH no hydrogen 2.736 N/A ASP 223.A N THR 219.A O no hydrogen 3.074 N/A MET 224.A N THR 220.A O no hydrogen 3.059 N/A ILE 225.A N PHE 221.A O no hydrogen 3.256 N/A LYS 226.A N ASN 222.A O no hydrogen 2.967 N/A ILE 227.A N ASP 223.A O no hydrogen 2.835 N/A ALA 228.A N MET 224.A O no hydrogen 2.806 N/A LEU 229.A N ILE 225.A O no hydrogen 2.742 N/A GLU 230.A N LYS 226.A O no hydrogen 3.008 N/A SER 231.A N ILE 227.A O no hydrogen 3.096 N/A SER 231.A OG ALA 228.A O no hydrogen 2.610 N/A VAL 232.A N LEU 229.A O no hydrogen 3.281 N/A LEU 234.A N GLU 230.A O no hydrogen 3.216 N/A GLY 235.A N SER 231.A O no hydrogen 3.005 N/A ASP 236.A N VAL 232.A O no hydrogen 3.008 N/A ASP 236.A N LEU 233.A O no hydrogen 3.081 N/A LYS 237.A N LEU 234.A O no hydrogen 3.151 N/A