Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3shr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N ASP 39.A O no hydrogen 2.845 N/A LYS 8.A NZ PHE 6.A O no hydrogen 2.985 N/A LYS 8.A NZ VAL 38.A O no hydrogen 2.551 N/A LYS 8.A NZ MET 41.A O no hydrogen 2.574 N/A SER 9.A OG SER 12.A OG no hydrogen 2.968 N/A SER 12.A N SER 9.A OG no hydrogen 3.051 N/A SER 12.A OG SER 9.A OG no hydrogen 2.968 N/A SER 12.A OG GLU 66.A OE2 no hydrogen 2.899 N/A LYS 13.A N SER 9.A O no hydrogen 2.875 N/A LYS 13.A NZ GLU 10.A OE1 no hydrogen 3.295 N/A LYS 13.A NZ GLU 10.A OE2 no hydrogen 3.426 N/A ASP 14.A N GLU 10.A O no hydrogen 2.883 N/A LEU 15.A N ARG 11.A O no hydrogen 3.053 N/A ILE 16.A N SER 12.A O no hydrogen 2.780 N/A LYS 17.A N LYS 13.A O no hydrogen 2.983 N/A GLU 18.A N ASP 14.A O no hydrogen 2.986 N/A ALA 19.A N LEU 15.A O no hydrogen 3.100 N/A ILE 20.A N ILE 16.A O no hydrogen 3.153 N/A LEU 21.A N LYS 17.A O no hydrogen 3.122 N/A ASP 22.A N ALA 19.A O no hydrogen 3.314 N/A ASN 23.A N ILE 20.A O no hydrogen 2.844 N/A MET 26.A N ASN 23.A OD1 no hydrogen 2.987 N/A LYS 27.A N ASN 23.A O no hydrogen 2.825 N/A ASN 28.A ND2 ASP 24.A O no hydrogen 3.569 N/A ASN 28.A ND2 PHE 25.A O no hydrogen 3.474 N/A LEU 29.A N MET 26.A O no hydrogen 3.130 N/A GLU 30.A N GLN 33.A OE1 no hydrogen 2.840 N/A GLN 33.A NE2 ILE 122.A O no hydrogen 3.050 N/A GLN 33.A NE2 THR 126.A OG1 no hydrogen 3.024 N/A ILE 34.A N GLU 30.A O no hydrogen 2.929 N/A GLN 35.A N LEU 31.A O no hydrogen 2.757 N/A GLU 36.A N SER 32.A O no hydrogen 3.136 N/A ILE 37.A N GLN 33.A O no hydrogen 2.865 N/A VAL 38.A N ILE 34.A O no hydrogen 2.871 N/A ASP 39.A N GLN 35.A O no hydrogen 2.928 N/A CYS 40.A N GLU 36.A O no hydrogen 2.851 N/A CYS 40.A N ILE 37.A O no hydrogen 2.997 N/A MET 41.A N ILE 37.A O no hydrogen 3.104 N/A TYR 42.A N ALA 113.A O no hydrogen 2.874 N/A VAL 44.A N LEU 111.A O no hydrogen 2.875 N/A TYR 46.A N VAL 109.A O no hydrogen 3.247 N/A LYS 48.A N ASN 108.A OD1 no hydrogen 3.038 N/A ASP 49.A N THR 105.A O no hydrogen 3.134 N/A SER 50.A N THR 105.A OG1 no hydrogen 2.925 N/A SER 50.A OG GLY 47.A O no hydrogen 3.105 N/A CYS 51.A SG ILE 53.A O no hydrogen 3.615 N/A ILE 52.A N VAL 103.A O no hydrogen 2.989 N/A ILE 53.A N VAL 103.A O no hydrogen 3.320 N/A LYS 54.A N ASP 57.A OD1 no hydrogen 3.096 N/A GLY 56.A N ARG 99.A O no hydrogen 3.102 N/A ASP 57.A N LYS 54.A O no hydrogen 3.022 N/A GLY 59.A N CYS 97.A O no hydrogen 3.014 N/A VAL 62.A N ILE 114.A O no hydrogen 3.018 N/A TYR 63.A N PHE 88.A O no hydrogen 2.914 N/A VAL 64.A N TRP 112.A O no hydrogen 2.859 N/A MET 65.A N LYS 86.A O no hydrogen 2.933 N/A GLU 66.A N LYS 110.A O no hydrogen 2.902 N/A ASP 67.A N LYS 110.A O no hydrogen 3.292 N/A VAL 70.A N MET 82.A O no hydrogen 2.933 N/A GLU 71.A N LYS 104.A O no hydrogen 2.829 N/A VAL 72.A N CYS 80.A O no hydrogen 2.863 N/A THR 73.A N THR 102.A O no hydrogen 3.069 N/A LYS 74.A N VAL 77.A O no hydrogen 2.894 N/A GLU 75.A N GLU 55.A OE1 no hydrogen 3.128 N/A GLU 75.A N GLU 55.A OE2 no hydrogen 3.117 N/A VAL 77.A N LYS 74.A O no hydrogen 2.962 N/A LEU 79.A N VAL 72.A O no hydrogen 2.753 N/A CYS 80.A N VAL 72.A O no hydrogen 3.490 N/A CYS 80.A SG THR 81.A O no hydrogen 3.977 N/A MET 82.A N VAL 70.A O no hydrogen 2.789 N/A GLY 85.A N MET 65.A O no hydrogen 3.052 N/A PHE 88.A N TYR 63.A O no hydrogen 3.026 N/A GLU 90.A N GLU 90.A OE2 no hydrogen 2.645 N/A LEU 94.A N LEU 91.A O no hydrogen 2.973 N/A TYR 95.A N ALA 92.A O no hydrogen 2.856 N/A CYS 97.A N ALA 92.A O no hydrogen 2.999 N/A CYS 97.A SG GLN 120.A OE1 no hydrogen 4.044 N/A THR 98.A N TYR 95.A O no hydrogen 3.315 N/A ARG 99.A N ASP 57.A O no hydrogen 2.874 N/A ARG 99.A NH1 LEU 61.A O no hydrogen 2.798 N/A ARG 99.A NH2 LEU 61.A O no hydrogen 3.417 N/A ARG 99.A NH2 GLY 89.A O no hydrogen 2.889 N/A THR 102.A N THR 73.A O no hydrogen 2.960 N/A THR 102.A OG1 GLU 55.A OE2 no hydrogen 2.921 N/A VAL 103.A N ILE 53.A O no hydrogen 2.761 N/A LYS 104.A N GLU 71.A O no hydrogen 3.124 N/A THR 105.A N SER 50.A O no hydrogen 3.010 N/A THR 105.A OG1 GLY 47.A O no hydrogen 2.797 N/A THR 105.A OG1 SER 50.A O no hydrogen 3.371 N/A THR 105.A OG1 VAL 107.A O no hydrogen 3.546 N/A LEU 106.A N LYS 69.A O no hydrogen 2.972 N/A VAL 109.A N TYR 46.A O no hydrogen 2.944 N/A LYS 110.A N ASP 67.A O no hydrogen 3.088 N/A LEU 111.A N VAL 44.A O no hydrogen 2.509 N/A TRP 112.A N VAL 64.A O no hydrogen 2.895 N/A TRP 112.A NE1 GLU 66.A OE2 no hydrogen 2.694 N/A ALA 113.A N TYR 42.A O no hydrogen 2.772 N/A ILE 114.A N VAL 62.A O no hydrogen 3.146 N/A CYS 118.A N ASP 115.A OD1 no hydrogen 2.867 N/A PHE 119.A N ASP 115.A O no hydrogen 2.893 N/A GLN 120.A N ARG 116.A O no hydrogen 2.564 N/A THR 121.A N GLN 117.A O no hydrogen 2.907 N/A THR 121.A OG1 GLN 117.A O no hydrogen 2.679 N/A ILE 122.A N CYS 118.A O no hydrogen 3.069 N/A MET 123.A N PHE 119.A O no hydrogen 2.953 N/A MET 124.A N GLN 120.A O no hydrogen 3.011 N/A ARG 125.A N THR 121.A O no hydrogen 3.279 N/A ARG 125.A N ILE 122.A O no hydrogen 3.150 N/A THR 126.A N MET 123.A O no hydrogen 3.200 N/A THR 126.A OG1 MET 123.A O no hydrogen 2.886 N/A ILE 129.A N ARG 125.A O no hydrogen 3.135 N/A LYS 130.A N THR 126.A O no hydrogen 3.212 N/A HIS 131.A N GLY 127.A O no hydrogen 3.005 N/A THR 132.A N LEU 128.A O no hydrogen 3.007 N/A THR 132.A OG1 LEU 128.A O no hydrogen 2.725 N/A GLU 133.A N ILE 129.A O no hydrogen 2.973 N/A TYR 134.A N LYS 130.A O no hydrogen 2.773 N/A MET 135.A N HIS 131.A O no hydrogen 2.685 N/A GLU 136.A N THR 132.A O no hydrogen 2.617 N/A PHE 137.A N GLU 133.A O no hydrogen 2.861 N/A LEU 138.A N TYR 134.A O no hydrogen 2.626 N/A LYS 139.A N MET 135.A O no hydrogen 2.876 N/A LYS 139.A NZ GLU 149.A OE1 no hydrogen 2.638 N/A SER 140.A N PHE 137.A O no hydrogen 2.856 N/A SER 140.A OG PHE 137.A O no hydrogen 2.403 N/A VAL 141.A N LEU 138.A O no hydrogen 3.095 N/A GLN 145.A N VAL 141.A O no hydrogen 2.938 N/A GLN 145.A N PRO 142.A O no hydrogen 2.940 N/A SER 146.A N PRO 142.A O no hydrogen 3.347 N/A SER 146.A N THR 143.A O no hydrogen 3.282 N/A LEU 152.A N PRO 148.A O no hydrogen 3.416 N/A SER 153.A N GLU 149.A O no hydrogen 3.202 N/A LYS 154.A N GLU 150.A O no hydrogen 3.096 N/A LEU 155.A N ILE 151.A O no hydrogen 2.607 N/A ALA 156.A N LEU 152.A O no hydrogen 3.236 N/A ASP 157.A N LYS 154.A O no hydrogen 3.375 N/A VAL 158.A N LEU 155.A O no hydrogen 3.244 N/A LEU 159.A N LEU 155.A O no hydrogen 3.145 N/A GLU 160.A N VAL 237.A O no hydrogen 2.859 N/A THR 162.A N CYS 235.A O no hydrogen 2.899 N/A TYR 164.A N VAL 233.A O no hydrogen 2.760 N/A GLU 165.A N GLU 168.A OE1 no hydrogen 2.433 N/A ASN 166.A ND2 ALA 229.A O no hydrogen 3.183 N/A GLY 167.A N ALA 229.A O no hydrogen 2.926 N/A GLU 168.A N GLU 165.A O no hydrogen 3.049 N/A ILE 170.A N VAL 227.A O no hydrogen 2.469 N/A ILE 171.A N VAL 227.A O no hydrogen 3.408 N/A ARG 172.A NH1 TYR 169.A O no hydrogen 3.219 N/A GLN 173.A N ASN 226.A OD1 no hydrogen 2.458 N/A GLY 174.A N ARG 223.A O no hydrogen 3.011 N/A ALA 175.A N ARG 172.A O no hydrogen 2.942 N/A PHE 180.A N ILE 238.A O no hydrogen 2.959 N/A PHE 181.A N PHE 212.A O no hydrogen 2.931 N/A ILE 182.A N LEU 236.A O no hydrogen 2.888 N/A ILE 183.A N ASP 210.A O no hydrogen 3.033 N/A SER 184.A N THR 234.A O no hydrogen 2.994 N/A LYS 185.A N THR 234.A O no hydrogen 3.362 N/A VAL 188.A N LEU 206.A O no hydrogen 2.906 N/A ASN 189.A N ILE 228.A O no hydrogen 2.975 N/A VAL 190.A N ARG 204.A O no hydrogen 3.027 N/A THR 191.A N ASN 226.A O no hydrogen 3.122 N/A ARG 192.A N VAL 201.A O no hydrogen 2.928 N/A ARG 192.A NH1 ASP 194.A O no hydrogen 3.482 N/A ARG 192.A NH2 ASP 194.A O no hydrogen 3.521 N/A GLU 193.A N GLN 173.A OE1 no hydrogen 2.801 N/A VAL 201.A N ARG 192.A O no hydrogen 2.638 N/A LEU 203.A N VAL 190.A O no hydrogen 2.979 N/A THR 205.A OG1 ASN 189.A OD1 no hydrogen 3.204 N/A LEU 206.A N VAL 188.A O no hydrogen 3.108 N/A GLY 207.A N ASP 210.A OD2 no hydrogen 2.851 N/A GLY 209.A N ILE 183.A O no hydrogen 2.942 N/A ASP 210.A N GLY 207.A O no hydrogen 2.803 N/A PHE 212.A N PHE 181.A O no hydrogen 2.998 N/A LYS 215.A N GLU 214.A OE2 no hydrogen 3.191 N/A LEU 217.A N GLU 214.A O no hydrogen 2.878 N/A GLN 218.A N LYS 215.A O no hydrogen 2.910 N/A ARG 223.A N ALA 175.A O no hydrogen 3.107 N/A ARG 223.A NH1 THR 179.A O no hydrogen 3.049 N/A ARG 223.A NH2 THR 179.A O no hydrogen 3.471 N/A ASN 226.A N THR 191.A O no hydrogen 2.633 N/A VAL 227.A N ILE 171.A O no hydrogen 2.917 N/A ILE 228.A N ASN 189.A O no hydrogen 3.052 N/A ALA 229.A N GLU 168.A O no hydrogen 2.876 N/A ALA 230.A N LYS 187.A O no hydrogen 2.999 N/A VAL 233.A N TYR 164.A O no hydrogen 2.808 N/A THR 234.A N LYS 185.A O no hydrogen 2.664 N/A CYS 235.A N THR 162.A O no hydrogen 2.915 N/A CYS 235.A SG ILE 182.A O no hydrogen 3.971 N/A CYS 235.A SG THR 234.A O no hydrogen 3.545 N/A LEU 236.A N ILE 182.A O no hydrogen 2.876 N/A VAL 237.A N GLU 160.A O no hydrogen 2.652 N/A ILE 238.A N PHE 180.A O no hydrogen 3.229 N/A ARG 240.A N ASP 178.A O no hydrogen 2.788 N/A ARG 240.A NH1 GLY 177.A O no hydrogen 3.384 N/A ARG 240.A NH1 ALA 216.A O no hydrogen 3.124 N/A SER 242.A N ASP 239.A OD2 no hydrogen 3.066 N/A SER 242.A OG ASP 239.A OD1 no hydrogen 2.926 N/A SER 242.A OG ASP 239.A OD2 no hydrogen 3.377 N/A PHE 243.A N ASP 239.A O no hydrogen 2.975 N/A LYS 244.A N ARG 240.A O no hydrogen 2.833 N/A HIS 245.A N ASP 241.A O no hydrogen 2.990 N/A LEU 246.A N SER 242.A O no hydrogen 2.891 N/A ILE 247.A N PHE 243.A O no hydrogen 2.857 N/A GLY 248.A N LYS 244.A O no hydrogen 2.944 N/A GLY 249.A N LEU 246.A O no hydrogen 2.931 N/A LEU 250.A N ILE 247.A O no hydrogen 3.097 N/A ASP 251.A N GLY 249.A O no hydrogen 2.794 N/A ASP 252.A N LEU 250.A O no hydrogen 2.953 N/A SER 254.A OG ASN 255.A OD1 no hydrogen 3.435 N/A LYS 256.A N ASN 255.A OD1 no hydrogen 2.701 N/A TYR 258.A N SER 254.A O no hydrogen 2.927 N/A GLU 259.A N ASN 255.A O no hydrogen 3.334 N/A ASP 260.A N LYS 256.A O no hydrogen 3.064 N/A ALA 261.A N ALA 257.A O no hydrogen 3.317 N/A GLU 262.A N TYR 258.A O no hydrogen 2.690 N/A ALA 263.A N GLU 259.A O no hydrogen 2.876 N/A ALA 263.A N ASP 260.A O no hydrogen 3.162 N/A LYS 264.A N ASP 260.A O no hydrogen 2.777 N/A ALA 265.A N ALA 261.A O no hydrogen 2.997 N/A TYR 267.A N ALA 263.A O no hydrogen 3.207 N/A GLU 268.A N LYS 264.A O no hydrogen 3.136 N/A ALA 269.A N ALA 265.A O no hydrogen 2.831 N/A GLU 270.A N LYS 266.A O no hydrogen 3.112 N/A ALA 271.A N TYR 267.A O no hydrogen 3.050 N/A ALA 272.A N GLU 268.A O no hydrogen 2.675 N/A PHE 273.A N ALA 269.A O no hydrogen 2.927 N/A PHE 274.A N GLU 270.A O no hydrogen 3.147 N/A ALA 275.A N ALA 271.A O no hydrogen 2.987 N/A ASN 276.A N ALA 272.A O no hydrogen 3.155 N/A ASN 276.A ND2 ASN 276.A O no hydrogen 2.432 N/A LEU 277.A N PHE 274.A O no hydrogen 3.257 N/A