Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ism_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N ALA 1.A O no hydrogen 3.402 N/A GLY 8.A N ASP 15.A OD2 no hydrogen 2.791 N/A ASP 15.A N ASP 11.A O no hydrogen 3.116 N/A TYR 16.A N PRO 12.A O no hydrogen 2.890 N/A TYR 16.A OH ASP 78.A OD2 no hydrogen 2.711 N/A GLN 17.A N VAL 13.A O no hydrogen 2.823 N/A LYS 18.A N LYS 14.A O no hydrogen 2.987 N/A LEU 19.A N ASP 15.A O no hydrogen 3.295 N/A ILE 20.A N TYR 16.A O no hydrogen 3.178 N/A GLU 21.A N GLN 17.A O no hydrogen 2.952 N/A THR 22.A N LYS 18.A O no hydrogen 3.008 N/A THR 22.A OG1 LYS 18.A O no hydrogen 2.663 N/A THR 22.A OG1 LEU 19.A O no hydrogen 3.530 N/A ARG 23.A N LEU 19.A O no hydrogen 2.809 N/A ARG 23.A NH1 ASP 4.A O no hydrogen 2.811 N/A ARG 23.A NH2 ALA 1.A O no hydrogen 2.797 N/A ARG 23.A NH2 ASP 4.A O no hydrogen 2.996 N/A VAL 24.A N ILE 20.A O no hydrogen 2.945 N/A GLN 25.A N ILE 20.A O no hydrogen 2.805 N/A ASP 33.A N ASP 31.A OD1 no hydrogen 2.829 N/A VAL 34.A N ASP 31.A O no hydrogen 3.051 N/A THR 35.A N ASP 31.A O no hydrogen 3.251 N/A THR 35.A OG1 ASP 31.A O no hydrogen 3.516 N/A LYS 36.A N ASP 32.A O no hydrogen 2.846 N/A GLU 37.A N ASP 33.A O no hydrogen 3.100 N/A ASN 38.A N VAL 34.A O no hydrogen 2.880 N/A ASN 38.A ND2 ARG 23.A O no hydrogen 2.887 N/A PHE 39.A N THR 35.A O no hydrogen 2.963 N/A ASP 40.A N LYS 36.A O no hydrogen 2.890 N/A ARG 41.A N GLU 37.A O no hydrogen 2.854 N/A ARG 41.A NH2 ASN 3.A O no hydrogen 2.793 N/A THR 42.A N ASN 38.A O no hydrogen 3.043 N/A THR 42.A OG1 ASN 38.A O no hydrogen 2.872 N/A ALA 43.A N PHE 39.A O no hydrogen 2.722 N/A ALA 44.A N ASP 40.A O no hydrogen 3.010 N/A ALA 45.A N ARG 41.A O no hydrogen 3.292 N/A ALA 46.A N THR 42.A O no hydrogen 2.932 N/A ARG 47.A N ALA 43.A O no hydrogen 2.888 N/A ARG 47.A NH1 TYR 75.A OH no hydrogen 2.916 N/A ASP 48.A N ALA 44.A O no hydrogen 3.129 N/A VAL 49.A N ALA 45.A O no hydrogen 3.199 N/A ILE 50.A N ALA 46.A O no hydrogen 3.018 N/A TRP 51.A N ARG 47.A O no hydrogen 3.143 N/A ARG 52.A N ASP 48.A O no hydrogen 2.991 N/A ARG 52.A NE ASP 48.A OD2 no hydrogen 3.394 N/A LEU 53.A N VAL 49.A O no hydrogen 2.782 N/A LEU 54.A N ILE 50.A O no hydrogen 3.107 N/A PHE 55.A N TRP 51.A O no hydrogen 2.985 N/A ASP 56.A N ARG 52.A O no hydrogen 2.939 N/A ASN 64.A N THR 60.A O no hydrogen 2.878 N/A ASN 64.A ND2 ALA 58.A O no hydrogen 2.878 N/A THR 65.A N SER 61.A O no hydrogen 2.798 N/A THR 65.A OG1 SER 61.A O no hydrogen 2.995 N/A LYS 67.A N SER 63.A O no hydrogen 3.163 N/A LYS 67.A NZ LEU 9.A O no hydrogen 2.844 N/A LYS 67.A NZ VAL 10.A O no hydrogen 3.539 N/A ALA 68.A N ASN 64.A O no hydrogen 2.994 N/A SER 69.A N THR 65.A O no hydrogen 2.938 N/A GLN 70.A N GLU 66.A O no hydrogen 3.058 N/A GLN 70.A NE2 GLU 66.A OE2 no hydrogen 2.707 N/A LEU 71.A N LYS 67.A O no hydrogen 3.021 N/A LEU 72.A N ALA 68.A O no hydrogen 2.778 N/A GLU 73.A N SER 69.A O no hydrogen 2.959 N/A GLU 74.A N GLN 70.A O no hydrogen 3.119 N/A TYR 75.A N LEU 71.A O no hydrogen 2.755 N/A ARG 76.A N LEU 72.A O no hydrogen 2.817 N/A ARG 76.A NE GLY 117.A O no hydrogen 2.741 N/A ARG 76.A NH1 ASP 123.A OD2 no hydrogen 3.116 N/A ARG 76.A NH2 GLY 117.A O no hydrogen 2.900 N/A ARG 76.A NH2 PRO 118.A O no hydrogen 2.914 N/A ARG 76.A NH2 ASP 123.A OD2 no hydrogen 2.868 N/A GLY 77.A N GLU 73.A O no hydrogen 3.116 N/A ASP 78.A N GLU 74.A O no hydrogen 3.292 N/A ALA 79.A N TYR 75.A O no hydrogen 2.863 N/A CYS 80.A N ARG 76.A O no hydrogen 2.966 N/A CYS 80.A SG ARG 76.A O no hydrogen 3.274 N/A PHE 81.A N ASP 78.A O no hydrogen 2.979 N/A TYR 82.A N ASP 78.A O no hydrogen 2.843 N/A ASP 83.A N ALA 79.A O no hydrogen 2.852 N/A TYR 87.A OH LEU 116.A O no hydrogen 2.732 N/A ASN 88.A N PRO 84.A O no hydrogen 2.709 N/A ASN 88.A ND2 CYS 119.A O no hydrogen 3.156 N/A GLU 89.A N THR 85.A O no hydrogen 3.081 N/A TRP 90.A N PRO 86.A O no hydrogen 3.149 N/A ILE 91.A N TYR 87.A O no hydrogen 2.942 N/A LEU 94.A N TRP 90.A O no hydrogen 2.937 N/A ARG 95.A N ILE 91.A O no hydrogen 2.955 N/A ARG 95.A NE ASP 96.A OD1 no hydrogen 2.759 N/A ARG 95.A NH1 PHE 137.A O no hydrogen 2.929 N/A ARG 95.A NH2 ASP 96.A OD1 no hydrogen 2.857 N/A ASP 96.A N VAL 92.A O no hydrogen 2.966 N/A GLU 97.A N LYS 93.A O no hydrogen 3.001 N/A VAL 98.A N LEU 94.A O no hydrogen 2.874 N/A LEU 99.A N ARG 95.A O no hydrogen 2.868 N/A LYS 100.A N ASP 96.A O no hydrogen 3.096 N/A LYS 101.A N GLU 97.A O no hydrogen 3.088 N/A GLU 102.A N LEU 99.A O no hydrogen 2.989 N/A LEU 103.A N VAL 98.A O no hydrogen 2.953 N/A TRP 107.A N LEU 103.A O no hydrogen 3.045 N/A TRP 107.A NE1 HIS 140.A O no hydrogen 2.772 N/A ARG 108.A N LEU 104.A O no hydrogen 2.818 N/A ARG 108.A NH2 ASP 105.A OD1 no hydrogen 2.927 N/A ASP 109.A N ASP 105.A O no hydrogen 2.637 N/A VAL 110.A N PHE 106.A O no hydrogen 3.046 N/A LEU 111.A N PHE 106.A O no hydrogen 3.092 N/A VAL 112.A N TRP 107.A O no hydrogen 2.920 N/A LYS 113.A N ARG 108.A O no hydrogen 3.111 N/A LYS 114.A N VAL 110.A O no hydrogen 3.000 N/A GLN 115.A N VAL 112.A O no hydrogen 2.983 N/A LEU 116.A N LEU 111.A O no hydrogen 2.916 N/A GLY 117.A N TYR 138.A OH no hydrogen 2.871 N/A CYS 119.A N ASN 88.A OD1 no hydrogen 2.666 N/A CYS 119.A SG ASN 88.A OD1 no hydrogen 3.565 N/A TRP 120.A N ASP 123.A OD1 no hydrogen 2.794 N/A SER 121.A OG ASP 128.A O no hydrogen 3.486 N/A ARG 122.A NH2.A SER 150.A OG no hydrogen 3.268 N/A ASP 123.A N TRP 120.A O no hydrogen 3.047 N/A SER 124.A N TRP 120.A O no hydrogen 2.914 N/A SER 124.A OG CYS 80.A O no hydrogen 2.653 N/A LEU 126.A N SER 124.A OG no hydrogen 3.187 N/A PHE 127.A N SER 124.A O no hydrogen 3.303 N/A ASP 128.A N ASP 131.A OD2 no hydrogen 2.992 N/A ASP 130.A N ASP 128.A OD2 no hydrogen 2.900 N/A ASP 131.A N ASP 128.A O no hydrogen 3.148 N/A GLU 136.A N GLU 136.A OE1.A no hydrogen 2.657 N/A TYR 138.A N LEU 135.A O no hydrogen 3.258 N/A ALA 139.A N GLU 136.A O no hydrogen 3.266 N/A HIS 140.A N TYR 138.A O no hydrogen 2.889 N/A HIS 140.A ND1 PHE 137.A O no hydrogen 3.244 N/A CYS 143.A N HIS 140.A O no hydrogen 3.184 N/A CYS 143.A SG ALA 141.A O no hydrogen 4.046 N/A ALA 148.A N ALA 145.A O no hydrogen 2.926 N/A SER 150.A OG PHE 147.A O no hydrogen 2.640 N/A LEU 151.A N PHE 147.A O no hydrogen 3.191 N/A LYS 152.A N ALA 148.A O no hydrogen 3.355 N/A VAL 153.A N ALA 149.A O no hydrogen 3.419 N/A ARG 154.A N SER 150.A O no hydrogen 3.070 N/A TYR 158.A OH ASP 216.A OD2 no hydrogen 2.933 N/A ARG 159.A N LEU 155.A O no hydrogen 2.905 N/A ARG 159.A NE GLU 212.A OE2.B no hydrogen 3.086 N/A THR 160.A N GLU 156.A O no hydrogen 2.937 N/A THR 160.A OG1 GLU 156.A O no hydrogen 2.548 N/A LEU 161.A N GLU 157.A O no hydrogen 3.372 N/A MET 162.A N TYR 158.A O no hydrogen 2.985 N/A LYS 163.A N ARG 159.A O no hydrogen 2.763 N/A ARG 164.A N THR 160.A O no hydrogen 2.886 N/A PHE 165.A N LEU 161.A O no hydrogen 3.231 N/A VAL 166.A N MET 162.A O no hydrogen 3.202 N/A HIS 174.A N PRO 170.A O no hydrogen 3.125 N/A GLN 175.A N ASP 171.A O no hydrogen 2.586 N/A ALA 176.A N SER 172.A O no hydrogen 3.089 N/A SER 177.A N VAL 173.A O no hydrogen 2.979 N/A VAL 178.A N HIS 174.A O no hydrogen 3.102 N/A LYS 179.A N GLN 175.A O no hydrogen 2.894 N/A LYS 179.A NZ ASP 224.A OD2 no hydrogen 3.358 N/A LYS 180.A N ALA 176.A O no hydrogen 2.834 N/A ALA 182.A N VAL 178.A O no hydrogen 2.946 N/A ALA 183.A N LYS 179.A O no hydrogen 2.678 N/A ALA 184.A N LYS 180.A O no hydrogen 3.264 N/A ALA 185.A N ILE 181.A O no hydrogen 3.055 N/A ALA 185.A N ALA 182.A O no hydrogen 3.078 N/A ARG 186.A N ALA 182.A O no hydrogen 3.016 N/A ARG 186.A NH1 TYR 213.A OH no hydrogen 2.869 N/A GLU 187.A N ALA 183.A O no hydrogen 3.043 N/A ILE 189.A N ALA 185.A O no hydrogen 3.323 N/A TRP 190.A N ARG 186.A O no hydrogen 3.289 N/A LYS 191.A N GLU 187.A O no hydrogen 3.195 N/A LEU 192.A N ILE 188.A O no hydrogen 2.725 N/A LEU 193.A N ILE 189.A O no hydrogen 3.136 N/A PHE 194.A N TRP 190.A O no hydrogen 3.105 N/A PHE 194.A N LYS 191.A O no hydrogen 3.233 N/A ASP 195.A N LYS 191.A O no hydrogen 2.958 N/A ASP 202.A N SER 199.A OG no hydrogen 3.263 N/A GLN 203.A N SER 199.A O no hydrogen 2.866 N/A GLN 203.A NE2 PRO 198.A O no hydrogen 3.488 N/A ASN 204.A N ALA 200.A O no hydrogen 3.105 N/A LYS 205.A N GLU 201.A O no hydrogen 3.051 N/A LYS 205.A NZ GLU 201.A OE1 no hydrogen 2.770 N/A ALA 206.A N ASP 202.A O no hydrogen 3.123 N/A ALA 207.A N GLN 203.A O no hydrogen 3.215 N/A GLU 208.A N ASN 204.A O no hydrogen 2.911 N/A LEU 209.A N LYS 205.A O no hydrogen 3.345 N/A LEU 210.A N ALA 206.A O no hydrogen 2.969 N/A GLN 211.A N ALA 207.A O no hydrogen 3.235 N/A TYR 213.A N LEU 209.A O no hydrogen 2.749 N/A LYS 214.A N LEU 210.A O no hydrogen 3.034 N/A LYS 214.A NZ GLU 253.A O no hydrogen 2.804 N/A LYS 214.A NZ GLY 255.A O no hydrogen 2.844 N/A LYS 214.A NZ PRO 256.A O no hydrogen 3.447 N/A GLY 215.A N GLN 211.A O no hydrogen 3.126 N/A ASP 216.A N GLU 212.A O no hydrogen 3.073 N/A ALA 217.A N TYR 213.A O no hydrogen 2.893 N/A GLY 218.A N LYS 214.A O no hydrogen 2.873 N/A PHE 219.A N ASP 216.A O no hydrogen 3.135 N/A TYR 220.A N ASP 216.A O no hydrogen 2.961 N/A GLY 221.A N ALA 217.A O no hydrogen 2.854 N/A TYR 225.A OH LEU 254.A O no hydrogen 2.997 N/A ASN 226.A N PRO 222.A O no hydrogen 2.801 N/A SER 227.A N ASP 223.A O no hydrogen 3.308 N/A SER 227.A OG ASP 223.A O no hydrogen 2.732 N/A TRP 228.A N ASP 224.A O no hydrogen 3.005 N/A ILE 229.A N TYR 225.A O no hydrogen 2.829 N/A LEU 232.A N TRP 228.A O no hydrogen 2.978 N/A ARG 233.A N ILE 229.A O no hydrogen 2.983 N/A ARG 233.A NE ASP 234.A OD1 no hydrogen 2.892 N/A ARG 233.A NH1 PHE 275.A O no hydrogen 2.984 N/A ARG 233.A NH2 ASP 234.A OD1 no hydrogen 2.930 N/A ASP 234.A N PHE 230.A O no hydrogen 3.105 N/A GLU 235.A N ASN 231.A O no hydrogen 3.118 N/A VAL 236.A N LEU 232.A O no hydrogen 2.803 N/A LEU 237.A N ARG 233.A O no hydrogen 2.921 N/A THR 238.A N ASP 234.A O no hydrogen 2.965 N/A THR 238.A OG1 ASP 234.A O no hydrogen 2.627 N/A LYS 239.A N GLU 235.A O no hydrogen 3.044 N/A LEU 241.A N VAL 236.A O no hydrogen 2.784 N/A TRP 245.A N LEU 241.A O no hydrogen 2.920 N/A TRP 245.A NE1 LYS 278.A O no hydrogen 3.014 N/A ARG 246.A N LEU 242.A O no hydrogen 2.968 N/A ASP 247.A N ASP 243.A O no hydrogen 3.134 N/A LYS 248.A N PHE 244.A O no hydrogen 3.031 N/A LYS 248.A NZ ASN 204.A OD1 no hydrogen 2.995 N/A MET 249.A N PHE 244.A O no hydrogen 3.131 N/A VAL 250.A N TRP 245.A O no hydrogen 2.798 N/A LYS 251.A N ARG 246.A O no hydrogen 3.036 N/A MET 252.A N LYS 248.A O no hydrogen 3.063 N/A GLU 253.A N VAL 250.A O no hydrogen 3.023 N/A LEU 254.A N MET 249.A O no hydrogen 2.907 N/A GLY 255.A N TYR 276.A OH no hydrogen 2.783 N/A SER 257.A N ASN 226.A OD1 no hydrogen 2.759 N/A SER 257.A OG ASP 261.A OD2 no hydrogen 2.434 N/A CYS 258.A N ASP 261.A OD1 no hydrogen 2.582 N/A CYS 258.A SG.A ASP 261.A OD1 no hydrogen 3.800 N/A CYS 258.A SG.B SER 257.A O no hydrogen 3.221 N/A ARG 260.A NE GLU 253.A OE1 no hydrogen 3.223 N/A ARG 260.A NE GLU 253.A OE2 no hydrogen 2.906 N/A ARG 260.A NH2 GLU 253.A OE1 no hydrogen 2.856 N/A ASP 261.A N CYS 258.A O no hydrogen 2.800 N/A SER 262.A N CYS 258.A O no hydrogen 2.869 N/A SER 262.A OG GLY 218.A O no hydrogen 2.718 N/A TYR 264.A N SER 262.A OG no hydrogen 2.999 N/A ASP 266.A N ASP 269.A OD2 no hydrogen 2.845 N/A ASP 269.A N ASP 266.A O no hydrogen 3.208 N/A TYR 276.A N PHE 273.A O no hydrogen 3.229 N/A GLU 277.A N GLU 274.A O no hydrogen 3.253 N/A LYS 278.A N TYR 276.A O no hydrogen 2.733 N/A CYS 281.A N LYS 278.A O no hydrogen 3.041 N/A