Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5shr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 12.A N ARG 9.A O no hydrogen 3.018 N/A ILE 13.A N LEU 10.A O no hydrogen 2.821 N/A GLU 14.A N LYS 11.A O no hydrogen 3.436 N/A LEU 15.A N GLU 12.A O no hydrogen 2.966 N/A PHE 18.A N LEU 15.A O no hydrogen 3.255 N/A GLY 21.A N ASP 19.A OD2 no hydrogen 2.888 N/A MET 26.A N PHE 23.A O no hydrogen 2.938 N/A TRP 27.A N GLU 24.A O no hydrogen 3.093 N/A TRP 27.A NE1 GLY 21.A O no hydrogen 3.024 N/A ILE 30.A N MET 26.A O no hydrogen 2.991 N/A PHE 31.A N TRP 27.A O no hydrogen 2.999 N/A VAL 32.A N PRO 28.A O no hydrogen 2.963 N/A TYR 33.A N GLY 29.A O no hydrogen 2.992 N/A MET 34.A N ILE 30.A O no hydrogen 3.108 N/A VAL 35.A N PHE 31.A O no hydrogen 2.978 N/A HIS 36.A N VAL 32.A O no hydrogen 2.834 N/A HIS 36.A ND1 GLN 3.A OE1 no hydrogen 3.179 N/A ARG 37.A N TYR 33.A O no hydrogen 3.091 N/A ARG 37.A NE GLU 14.A OE2 no hydrogen 3.385 N/A ARG 37.A NE TYR 78.A OH no hydrogen 3.089 N/A SER 38.A N MET 34.A O no hydrogen 2.970 N/A SER 38.A N VAL 35.A O no hydrogen 3.290 N/A SER 38.A OG MET 34.A O no hydrogen 2.747 N/A GLY 40.A N VAL 35.A O no hydrogen 3.396 N/A LEU 49.A N GLU 45.A O no hydrogen 2.890 N/A ARG 50.A NE GLY 147.A O no hydrogen 3.323 N/A ARG 50.A NH1 GLU 47.A OE2 no hydrogen 3.273 N/A ARG 50.A NH2 GLU 47.A OE2 no hydrogen 3.401 N/A ARG 50.A NH2 GLY 147.A O no hydrogen 3.127 N/A PHE 51.A N LYS 48.A O no hydrogen 2.830 N/A ILE 52.A N LEU 49.A O no hydrogen 2.864 N/A SER 54.A N ARG 50.A O no hydrogen 3.179 N/A SER 54.A OG ARG 50.A O no hydrogen 3.362 N/A SER 54.A OG HIS 148.A NE2 no hydrogen 2.666 N/A VAL 55.A N PHE 51.A O no hydrogen 2.799 N/A LYS 56.A N ILE 52.A O no hydrogen 2.833 N/A LYS 57.A N MET 53.A O no hydrogen 3.137 N/A ASN 58.A N SER 54.A O no hydrogen 3.195 N/A ASN 58.A N VAL 55.A O no hydrogen 2.856 N/A ASN 58.A ND2 SER 54.A O no hydrogen 2.717 N/A TYR 59.A N LYS 56.A O no hydrogen 3.093 N/A TYR 59.A OH LEU 101.A O no hydrogen 2.537 N/A ARG 60.A NE ASP 106.A OD1 no hydrogen 2.859 N/A ARG 60.A NH2 ASP 106.A OD1 no hydrogen 3.042 N/A TYR 64.A N GLU 235.A OE2 no hydrogen 2.887 N/A HIS 65.A N GLU 235.A OE2 no hydrogen 2.767 N/A HIS 65.A ND1 GLU 235.A OE1 no hydrogen 2.602 N/A ASN 66.A N TYR 64.A O no hydrogen 2.921 N/A ASN 66.A ND2 VAL 62.A O no hydrogen 3.012 N/A ASN 66.A ND2 PRO 63.A O no hydrogen 3.148 N/A HIS 69.A N ASN 66.A OD1 no hydrogen 3.130 N/A ALA 70.A N ASN 66.A O no hydrogen 3.097 N/A VAL 71.A N TRP 67.A O no hydrogen 3.081 N/A THR 72.A N LYS 68.A O no hydrogen 2.908 N/A THR 72.A OG1 LYS 68.A O no hydrogen 2.764 N/A VAL 73.A N HIS 69.A O no hydrogen 2.885 N/A ALA 74.A N ALA 70.A O no hydrogen 3.019 N/A HIS 75.A N VAL 71.A O no hydrogen 2.875 N/A HIS 75.A NE2 ILE 13.A O no hydrogen 2.768 N/A CYS 76.A N THR 72.A O no hydrogen 3.169 N/A MET 77.A N VAL 73.A O no hydrogen 3.166 N/A TYR 78.A N ALA 74.A O no hydrogen 2.950 N/A TYR 78.A OH GLU 14.A OE1 no hydrogen 3.400 N/A TYR 78.A OH GLU 14.A OE2 no hydrogen 2.668 N/A ALA 79.A N HIS 75.A O no hydrogen 2.929 N/A ILE 80.A N CYS 76.A O no hydrogen 3.070 N/A LEU 81.A N MET 77.A O no hydrogen 2.892 N/A GLN 82.A N TYR 78.A O no hydrogen 2.803 N/A ASN 83.A N ALA 79.A O no hydrogen 3.103 N/A ASN 83.A N ILE 80.A O no hydrogen 3.250 N/A ASN 83.A ND2 ALA 79.A O no hydrogen 2.716 N/A ASN 84.A N LEU 81.A O no hydrogen 3.286 N/A ASN 84.A ND2 ILE 80.A O no hydrogen 2.726 N/A LEU 87.A N ASN 84.A O no hydrogen 3.170 N/A THR 89.A N GLU 92.A OE1 no hydrogen 3.032 N/A GLU 92.A N THR 89.A OG1 no hydrogen 3.183 N/A ARG 93.A N THR 89.A O no hydrogen 3.137 N/A ARG 93.A NH1 LEU 81.A O no hydrogen 2.997 N/A ARG 93.A NH1 HIS 85.A O no hydrogen 2.806 N/A ARG 93.A NH2 SER 38.A O no hydrogen 2.736 N/A LYS 94.A N ASP 90.A O no hydrogen 3.288 N/A GLY 95.A N LEU 91.A O no hydrogen 2.872 N/A LEU 96.A N GLU 92.A O no hydrogen 2.932 N/A ALA 99.A N GLY 95.A O no hydrogen 2.782 N/A CYS 100.A N LEU 96.A O no hydrogen 3.013 N/A CYS 100.A SG VAL 73.A O no hydrogen 4.026 N/A CYS 100.A SG LEU 96.A O no hydrogen 3.342 N/A LEU 101.A N LEU 97.A O no hydrogen 2.998 N/A CYS 102.A N ILE 98.A O no hydrogen 2.867 N/A CYS 102.A N ALA 99.A O no hydrogen 3.234 N/A CYS 102.A SG ILE 98.A O no hydrogen 3.457 N/A HIS 103.A N CYS 100.A O no hydrogen 3.391 N/A HIS 103.A ND1 CYS 100.A O no hydrogen 2.628 N/A HIS 103.A NE2 HIS 69.A NE2 no hydrogen 3.140 N/A HIS 103.A NE2 ASP 214.A OD1 no hydrogen 3.173 N/A ASP 104.A N TYR 59.A OH no hydrogen 3.105 N/A LEU 105.A N CYS 102.A O no hydrogen 3.135 N/A HIS 107.A N ASP 104.A O no hydrogen 3.120 N/A ARG 108.A NE ASP 106.A O no hydrogen 3.095 N/A GLY 109.A N HIS 107.A ND1 no hydrogen 2.831 N/A SER 111.A N GLU 239.A OE1 no hydrogen 2.607 N/A SER 111.A OG GLU 239.A OE1 no hydrogen 3.189 N/A SER 111.A OG GLU 239.A OE2 no hydrogen 2.398 N/A ASN 112.A ND2 GLU 132.A OE1 no hydrogen 2.870 N/A TYR 114.A N SER 111.A OG no hydrogen 3.129 N/A LEU 115.A N SER 111.A O no hydrogen 3.228 N/A GLN 116.A N ASN 112.A O no hydrogen 3.032 N/A LYS 117.A N SER 113.A O no hydrogen 3.041 N/A PHE 118.A N TYR 114.A O no hydrogen 2.799 N/A ASP 119.A N GLN 116.A O no hydrogen 3.189 N/A HIS 120.A N LEU 115.A O no hydrogen 2.943 N/A LEU 122.A N HIS 120.A ND1 no hydrogen 3.047 N/A ALA 123.A N HIS 120.A O no hydrogen 2.761 N/A ALA 124.A N PRO 121.A O no hydrogen 3.131 N/A LEU 125.A N PRO 121.A O no hydrogen 3.179 N/A TYR 126.A N LEU 122.A O no hydrogen 2.960 N/A SER 129.A OG ASP 174.A OD2 no hydrogen 2.548 N/A THR 130.A OG1 TYR 126.A O no hydrogen 2.748 N/A MET 131.A N ASN 112.A OD1 no hydrogen 2.702 N/A GLN 133.A N SER 129.A O no hydrogen 2.875 N/A GLN 133.A NE2 THR 128.A O no hydrogen 2.770 N/A HIS 134.A N THR 130.A O no hydrogen 3.155 N/A HIS 134.A NE2 ASP 106.A OD2 no hydrogen 2.700 N/A HIS 135.A N MET 131.A O no hydrogen 2.679 N/A HIS 135.A ND1 LEU 105.A O no hydrogen 2.688 N/A PHE 136.A N GLU 132.A O no hydrogen 3.020 N/A SER 137.A N GLN 133.A O no hydrogen 3.019 N/A GLN 138.A N HIS 134.A O no hydrogen 2.876 N/A THR 139.A N HIS 135.A O no hydrogen 3.036 N/A THR 139.A OG1 HIS 135.A O no hydrogen 2.788 N/A VAL 140.A N PHE 136.A O no hydrogen 2.883 N/A SER 141.A N SER 137.A O no hydrogen 3.086 N/A SER 141.A OG SER 137.A O no hydrogen 3.476 N/A ILE 142.A N GLN 138.A O no hydrogen 3.208 N/A LEU 143.A N THR 139.A O no hydrogen 3.021 N/A GLN 144.A N VAL 140.A O no hydrogen 3.002 N/A GLN 144.A N SER 141.A O no hydrogen 3.225 N/A LEU 145.A N ILE 142.A O no hydrogen 3.008 N/A HIS 148.A N LEU 145.A O no hydrogen 3.129 N/A HIS 148.A ND1 GLU 146.A O no hydrogen 2.786 N/A HIS 148.A NE2 SER 54.A OG no hydrogen 2.666 N/A ASN 149.A ND2 LEU 143.A O no hydrogen 2.995 N/A ASN 149.A ND2 TYR 159.A OH no hydrogen 3.549 N/A PHE 151.A N ASN 149.A OD1 no hydrogen 3.025 N/A SER 152.A N ASN 149.A O no hydrogen 3.224 N/A SER 152.A OG ASN 149.A O no hydrogen 3.294 N/A LEU 154.A N PHE 151.A O no hydrogen 2.769 N/A SER 155.A N GLU 158.A OE1 no hydrogen 3.432 N/A GLU 158.A N SER 155.A OG no hydrogen 3.195 N/A TYR 159.A N SER 155.A O no hydrogen 2.952 N/A GLU 160.A N SER 156.A O no hydrogen 3.093 N/A GLN 161.A N SER 157.A O no hydrogen 2.994 N/A GLN 161.A NE2 SER 157.A O no hydrogen 2.885 N/A VAL 162.A N GLU 158.A O no hydrogen 2.794 N/A LEU 163.A N TYR 159.A O no hydrogen 3.011 N/A GLU 164.A N GLU 160.A O no hydrogen 2.835 N/A ILE 165.A N GLN 161.A O no hydrogen 2.854 N/A ILE 166.A N VAL 162.A O no hydrogen 2.987 N/A ARG 167.A N LEU 163.A O no hydrogen 2.894 N/A ARG 167.A NE GLU 164.A OE1 no hydrogen 2.806 N/A ARG 167.A NH2 GLU 164.A OE1 no hydrogen 3.274 N/A LYS 168.A N GLU 164.A O no hydrogen 3.044 N/A LYS 168.A NZ ASP 203.A OD2 no hydrogen 2.913 N/A ALA 169.A N ILE 165.A O no hydrogen 2.865 N/A ILE 170.A N ILE 166.A O no hydrogen 2.997 N/A ILE 171.A N ARG 167.A O no hydrogen 2.919 N/A ALA 172.A N LYS 168.A O no hydrogen 2.877 N/A THR 173.A N ILE 170.A O no hydrogen 3.042 N/A THR 173.A OG1 ILE 170.A O no hydrogen 2.582 N/A ASP 174.A N ILE 171.A O no hydrogen 2.969 N/A ALA 176.A N ASP 174.A OD1 no hydrogen 3.184 N/A LEU 177.A N ASP 174.A O no hydrogen 2.869 N/A TYR 178.A N LEU 175.A O no hydrogen 2.994 N/A ASN 181.A N LEU 177.A O no hydrogen 3.371 N/A ASN 181.A ND2 ARG 204.A O no hydrogen 2.978 N/A ARG 182.A N TYR 178.A O no hydrogen 2.874 N/A ARG 182.A NH1 GLU 186.A OE2 no hydrogen 3.551 N/A ARG 182.A NH1 THR 280.A OG1 no hydrogen 3.279 N/A LYS 183.A N PHE 179.A O no hydrogen 2.994 N/A GLN 184.A N GLY 180.A O no hydrogen 3.027 N/A LEU 185.A N ASN 181.A O no hydrogen 3.043 N/A GLU 186.A N ARG 182.A O no hydrogen 2.730 N/A GLU 187.A N LYS 183.A O no hydrogen 3.011 N/A MET 188.A N GLN 184.A O no hydrogen 2.933 N/A TYR 189.A N LEU 185.A O no hydrogen 2.808 N/A GLN 190.A N GLU 186.A O no hydrogen 3.004 N/A THR 191.A N GLU 187.A O no hydrogen 2.917 N/A THR 191.A OG1 GLU 187.A O no hydrogen 3.135 N/A GLY 192.A N TYR 189.A O no hydrogen 3.293 N/A SER 193.A OG MET 188.A O no hydrogen 3.404 N/A SER 193.A OG THR 191.A OG1 no hydrogen 2.767 N/A LEU 194.A N MET 188.A O no hydrogen 3.192 N/A ASN 195.A N HIS 201.A ND1 no hydrogen 2.983 N/A ASN 197.A N ASN 195.A OD1 no hydrogen 3.133 N/A ASN 198.A N ASN 195.A O no hydrogen 2.951 N/A GLN 199.A NE2 ASP 203.A OD1 no hydrogen 2.710 N/A SER 200.A N ASN 198.A OD1 no hydrogen 2.985 N/A SER 200.A OG ASN 198.A OD1 no hydrogen 3.215 N/A HIS 201.A N ASN 198.A O no hydrogen 2.765 N/A HIS 201.A N ASN 198.A OD1 no hydrogen 3.385 N/A ARG 202.A N ASN 198.A O no hydrogen 2.977 N/A ARG 202.A NE GLU 92.A OE2 no hydrogen 2.919 N/A ARG 202.A NH1 LEU 196.A O no hydrogen 2.765 N/A ARG 202.A NH2 LEU 87.A O no hydrogen 2.971 N/A ARG 202.A NH2 GLU 92.A OE1 no hydrogen 2.754 N/A ARG 202.A NH2 GLU 92.A OE2 no hydrogen 3.404 N/A ASP 203.A N GLN 199.A O no hydrogen 3.028 N/A ARG 204.A N SER 200.A O no hydrogen 3.301 N/A ARG 204.A NH1 ASN 181.A OD1 no hydrogen 3.102 N/A VAL 205.A N HIS 201.A O no hydrogen 3.019 N/A ILE 206.A N ARG 202.A O no hydrogen 2.781 N/A GLY 207.A N ASP 203.A O no hydrogen 2.842 N/A LEU 208.A N ARG 204.A O no hydrogen 3.017 N/A MET 209.A N VAL 205.A O no hydrogen 3.045 N/A MET 210.A N ILE 206.A O no hydrogen 2.954 N/A THR 211.A N GLY 207.A O no hydrogen 2.973 N/A THR 211.A OG1 GLY 207.A O no hydrogen 3.314 N/A ALA 212.A N LEU 208.A O no hydrogen 2.846 N/A CYS 213.A N MET 209.A O no hydrogen 2.842 N/A CYS 213.A SG MET 209.A O no hydrogen 3.283 N/A ASP 214.A N MET 210.A O no hydrogen 2.814 N/A LEU 215.A N THR 211.A O no hydrogen 2.976 N/A CYS 216.A N CYS 213.A O no hydrogen 3.134 N/A CYS 216.A SG THR 72.A O no hydrogen 3.997 N/A CYS 216.A SG CYS 213.A O no hydrogen 3.232 N/A VAL 218.A N LEU 215.A O no hydrogen 3.080 N/A THR 219.A N CYS 216.A O no hydrogen 2.862 N/A THR 219.A OG1 CYS 216.A O no hydrogen 2.667 N/A LYS 220.A NZ PHE 16.A O no hydrogen 3.312 N/A LYS 220.A NZ PHE 18.A O no hydrogen 2.834 N/A THR 225.A N LEU 221.A O no hydrogen 3.076 N/A THR 225.A OG1 SER 217.A O no hydrogen 2.725 N/A THR 225.A OG1 LYS 220.A O no hydrogen 3.225 N/A THR 225.A OG1 LEU 221.A O no hydrogen 3.373 N/A LYS 226.A N TRP 222.A O no hydrogen 2.791 N/A LEU 227.A N PRO 223.A O no hydrogen 3.057 N/A THR 228.A N VAL 224.A O no hydrogen 2.855 N/A THR 228.A OG1 VAL 224.A O no hydrogen 2.659 N/A ALA 229.A N THR 225.A O no hydrogen 2.882 N/A ASN 230.A N LYS 226.A O no hydrogen 3.414 N/A ILE 232.A N THR 228.A O no hydrogen 3.020 N/A TYR 233.A N ALA 229.A O no hydrogen 2.976 N/A ALA 234.A N ASN 230.A O no hydrogen 2.946 N/A GLU 235.A N ASP 231.A O no hydrogen 3.276 N/A GLU 235.A N ILE 232.A O no hydrogen 3.183 N/A PHE 236.A N ILE 232.A O no hydrogen 3.147 N/A TRP 237.A N TYR 233.A O no hydrogen 2.784 N/A ALA 238.A N ALA 234.A O no hydrogen 3.391 N/A GLU 239.A N GLU 235.A O no hydrogen 3.040 N/A GLY 240.A N PHE 236.A O no hydrogen 2.841 N/A ASP 241.A N TRP 237.A O no hydrogen 2.871 N/A GLU 242.A N ALA 238.A O no hydrogen 3.047 N/A MET 243.A N GLU 239.A O no hydrogen 2.707 N/A LYS 244.A N GLY 240.A O no hydrogen 2.948 N/A LYS 244.A NZ ASP 255.A OD1 no hydrogen 2.840 N/A LYS 244.A NZ ASP 257.A OD2 no hydrogen 3.132 N/A LYS 245.A N ASP 241.A O no hydrogen 2.988 N/A LYS 245.A NZ GLU 242.A OE2 no hydrogen 2.851 N/A LEU 246.A N GLU 242.A O no hydrogen 2.966 N/A GLY 247.A N LYS 244.A O no hydrogen 2.775 N/A ILE 248.A N MET 243.A O no hydrogen 3.048 N/A MET 254.A N ILE 251.A O no hydrogen 2.962 N/A ASP 255.A N PRO 252.A O no hydrogen 2.994 N/A ARG 256.A NE ASP 241.A OD1 no hydrogen 3.012 N/A ARG 256.A NE ASP 241.A OD2 no hydrogen 3.256 N/A ARG 256.A NH2 ASP 241.A OD2 no hydrogen 3.069 N/A ASP 257.A N ASP 255.A OD1 no hydrogen 2.993 N/A LYS 258.A N ASP 255.A O no hydrogen 3.033 N/A GLU 261.A N LYS 258.A O no hydrogen 3.151 N/A VAL 262.A N LYS 259.A O no hydrogen 2.772 N/A GLY 265.A N GLU 261.A O no hydrogen 2.810 N/A GLN 266.A N VAL 262.A O no hydrogen 2.737 N/A GLN 266.A NE2 TYR 233.A OH no hydrogen 2.896 N/A LEU 267.A N PRO 263.A O no hydrogen 3.147 N/A GLY 268.A N GLN 264.A O no hydrogen 3.077 N/A PHE 269.A N GLY 265.A O no hydrogen 3.082 N/A TYR 270.A N GLN 266.A O no hydrogen 2.778 N/A ASN 271.A N LEU 267.A O no hydrogen 2.900 N/A ALA 272.A N GLY 268.A O no hydrogen 2.506 N/A VAL 273.A N PHE 269.A O no hydrogen 2.856 N/A ALA 274.A N PHE 269.A O no hydrogen 3.082 N/A ILE 275.A N TYR 270.A O no hydrogen 2.635 N/A CYS 277.A N VAL 273.A O no hydrogen 3.047 N/A TYR 278.A N ALA 274.A O no hydrogen 2.942 N/A TYR 278.A OH ALA 212.A O no hydrogen 2.446 N/A THR 279.A N ILE 275.A O no hydrogen 2.763 N/A THR 279.A OG1 ILE 275.A O no hydrogen 2.731 N/A THR 280.A N PRO 276.A O no hydrogen 3.053 N/A THR 280.A OG1 PRO 276.A O no hydrogen 3.322 N/A LEU 281.A N CYS 277.A O no hydrogen 3.061 N/A THR 282.A N TYR 278.A O no hydrogen 2.812 N/A THR 282.A OG1 TYR 278.A O no hydrogen 2.781 N/A GLN 283.A N THR 279.A O no hydrogen 2.924 N/A ILE 284.A N THR 280.A O no hydrogen 2.972 N/A LEU 285.A N LEU 281.A O no hydrogen 2.645 N/A THR 288.A N LEU 285.A O no hydrogen 3.058 N/A THR 288.A OG1 LEU 285.A O no hydrogen 2.778 N/A GLU 289.A N PRO 286.A O no hydrogen 3.091 N/A LEU 291.A N THR 288.A O no hydrogen 3.020 N/A LYS 293.A N GLU 289.A O no hydrogen 2.983 N/A LYS 293.A NZ ASP 297.A OD2 no hydrogen 3.216 N/A ALA 294.A N PRO 290.A O no hydrogen 2.878 N/A CYS 295.A N LEU 291.A O no hydrogen 2.869 N/A ARG 296.A N LEU 292.A O no hydrogen 2.905 N/A ASP 297.A N LYS 293.A O no hydrogen 2.878 N/A ASN 298.A N ALA 294.A O no hydrogen 2.898 N/A ASN 298.A ND2 VAL 218.A O no hydrogen 3.022 N/A ASN 298.A ND2 LYS 220.A O no hydrogen 2.714 N/A LEU 299.A N CYS 295.A O no hydrogen 2.878 N/A SER 300.A N ARG 296.A O no hydrogen 3.015 N/A GLN 301.A N ASP 297.A O no hydrogen 3.103 N/A TRP 302.A N ASN 298.A O no hydrogen 3.062 N/A GLU 303.A N LEU 299.A O no hydrogen 2.860 N/A LYS 304.A N SER 300.A O no hydrogen 3.038 N/A VAL 305.A N GLN 301.A O no hydrogen 2.932 N/A ILE 306.A N TRP 302.A O no hydrogen 2.988 N/A ARG 307.A N GLU 303.A O no hydrogen 2.989 N/A ARG 307.A NE GLU 309.A OE2 no hydrogen 2.757 N/A ARG 307.A NH2 GLU 309.A OE1 no hydrogen 3.117 N/A ARG 307.A NH2 GLU 309.A OE2 no hydrogen 3.168 N/A GLY 308.A N VAL 305.A O no hydrogen 3.081 N/A GLU 309.A N LYS 304.A O no hydrogen 2.992 N/A