Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xrr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N GLU 3.A OE1 no hydrogen 2.712 N/A TYR 4.A N GLY 1.A O no hydrogen 3.015 N/A TYR 6.A OH ASP 8.A OD1 no hydrogen 3.281 N/A TYR 6.A OH ASP 177.A OD1 no hydrogen 2.716 N/A MET 10.A N ASP 8.A OD1 no hydrogen 2.980 N/A GLN 11.A N ASP 8.A O no hydrogen 3.012 N/A ARG 17.A N ASP 15.A OD1 no hydrogen 2.812 N/A ARG 17.A NH1 ASP 15.A OD2 no hydrogen 2.580 N/A TRP 18.A N ASP 15.A O no hydrogen 3.256 N/A GLU 19.A N SER 16.A O no hydrogen 2.919 N/A PHE 20.A N ALA 92.A O no hydrogen 2.859 N/A ARG 22.A NH1 PRO 98.A O no hydrogen 2.497 N/A ARG 22.A NH2 LYS 95.A O no hydrogen 2.831 N/A ARG 22.A NH2 PRO 98.A O no hydrogen 3.119 N/A GLY 24.A N PRO 21.A O no hydrogen 2.977 N/A LEU 25.A N ARG 22.A O no hydrogen 3.355 N/A VAL 26.A N THR 43.A O no hydrogen 2.791 N/A GLY 28.A N GLU 41.A O no hydrogen 2.598 N/A GLY 32.A N VAL 39.A O no hydrogen 3.077 N/A LYS 38.A N MET 60.A O no hydrogen 2.797 N/A VAL 39.A N GLY 32.A O no hydrogen 2.608 N/A VAL 40.A N VAL 58.A O no hydrogen 2.876 N/A GLU 41.A N ARG 29.A O no hydrogen 2.672 N/A GLY 42.A N VAL 56.A O no hydrogen 2.787 N/A THR 43.A N VAL 26.A O no hydrogen 2.779 N/A ALA 44.A N MET 54.A O no hydrogen 2.799 N/A TYR 45.A N GLY 24.A O no hydrogen 2.874 N/A GLY 46.A N PRO 52.A O no hydrogen 3.064 N/A SER 50.A OG SER 48.A OG no hydrogen 2.733 N/A GLN 51.A N SER 48.A OG no hydrogen 2.881 N/A MET 54.A N ALA 44.A O no hydrogen 2.959 N/A VAL 56.A N GLY 42.A O no hydrogen 2.596 N/A ALA 57.A N ILE 103.A O no hydrogen 2.835 N/A VAL 58.A N VAL 40.A O no hydrogen 2.794 N/A LYS 59.A N ILE 101.A O no hydrogen 2.871 N/A LYS 59.A NZ GLU 73.A OE1 no hydrogen 2.856 N/A LYS 59.A NZ GLU 73.A OE2 no hydrogen 3.290 N/A MET 60.A N LYS 38.A O no hydrogen 2.964 N/A LEU 70.A N SER 66.A O no hydrogen 2.872 N/A MET 71.A N LYS 67.A O no hydrogen 3.062 N/A SER 72.A N GLN 68.A O no hydrogen 2.763 N/A SER 72.A OG GLN 68.A O no hydrogen 2.718 N/A GLU 73.A N ALA 69.A O no hydrogen 2.869 N/A LEU 74.A N LEU 70.A O no hydrogen 2.908 N/A LYS 75.A N MET 71.A O no hydrogen 2.841 N/A LYS 75.A NZ LEU 12.A O no hydrogen 2.662 N/A ILE 76.A N SER 72.A O no hydrogen 2.927 N/A MET 77.A N GLU 73.A O no hydrogen 3.067 N/A THR 78.A N LEU 74.A O no hydrogen 2.880 N/A THR 78.A OG1 LEU 74.A O no hydrogen 2.901 N/A HIS 79.A N LYS 75.A O no hydrogen 3.188 N/A LEU 80.A N ILE 76.A O no hydrogen 2.984 N/A ASN 85.A N HIS 83.A ND1 no hydrogen 2.890 N/A ASN 85.A ND2 GLN 136.A OE1 no hydrogen 3.067 N/A ASN 85.A ND2 VAL 167.A O no hydrogen 3.155 N/A ILE 86.A N HIS 83.A O no hydrogen 3.256 N/A VAL 87.A N ILE 169.A O no hydrogen 3.003 N/A LEU 90.A N ILE 102.A O no hydrogen 2.792 N/A GLY 91.A N ILE 102.A O no hydrogen 3.343 N/A ALA 92.A N TRP 18.A O no hydrogen 2.807 N/A CYS 93.A N TYR 100.A O no hydrogen 2.763 N/A CYS 93.A SG PHE 20.A O no hydrogen 3.234 N/A THR 94.A N GLU 19.A OE2 no hydrogen 2.571 N/A THR 94.A OG1 GLU 19.A OE2 no hydrogen 2.576 N/A TYR 100.A N CYS 93.A O no hydrogen 2.883 N/A ILE 101.A N LYS 59.A O no hydrogen 2.998 N/A ILE 102.A N GLY 91.A O no hydrogen 2.736 N/A ILE 103.A N ALA 57.A O no hydrogen 2.740 N/A GLU 104.A N ASN 88.A O no hydrogen 2.917 N/A TYR 108.A N LEU 161.A O no hydrogen 3.052 N/A GLY 109.A N CYS 106.A O no hydrogen 3.371 N/A LEU 111.A N VAL 159.A O no hydrogen 2.999 N/A TYR 114.A N ASP 110.A O no hydrogen 3.130 N/A LEU 115.A N LEU 111.A O no hydrogen 2.683 N/A HIS 116.A N VAL 112.A O no hydrogen 3.030 N/A HIS 116.A NE2 GLY 216.A O no hydrogen 2.545 N/A LYS 117.A N ASN 113.A O no hydrogen 2.893 N/A ASN 118.A N TYR 114.A O no hydrogen 2.991 N/A ARG 119.A N HIS 116.A O no hydrogen 3.152 N/A ARG 119.A NE LEU 215.A O no hydrogen 2.624 N/A ARG 119.A NH2 LEU 215.A O no hydrogen 2.974 N/A PHE 122.A N ARG 119.A O no hydrogen 2.717 N/A THR 126.A N ASP 129.A OD2 no hydrogen 2.913 N/A THR 126.A OG1 ASP 129.A OD1 no hydrogen 2.700 N/A LEU 130.A N THR 126.A O no hydrogen 3.204 N/A LEU 131.A N LEU 127.A O no hydrogen 3.102 N/A SER 132.A N LEU 128.A O no hydrogen 2.891 N/A SER 132.A OG TYR 282.A OH no hydrogen 2.702 N/A PHE 133.A N ASP 129.A O no hydrogen 2.964 N/A THR 134.A N LEU 130.A O no hydrogen 2.998 N/A THR 134.A OG1 LEU 130.A O no hydrogen 3.062 N/A TYR 135.A N LEU 131.A O no hydrogen 2.884 N/A GLN 136.A N SER 132.A O no hydrogen 2.941 N/A GLN 136.A NE2 SER 132.A O no hydrogen 3.620 N/A GLN 136.A NE2 SER 132.A OG no hydrogen 2.870 N/A GLN 136.A NE2 LYS 165.A O no hydrogen 3.608 N/A VAL 137.A N PHE 133.A O no hydrogen 3.028 N/A ALA 138.A N THR 134.A O no hydrogen 3.213 N/A ARG 139.A N TYR 135.A O no hydrogen 3.066 N/A ARG 139.A NE GLU 142.A OE1 no hydrogen 3.350 N/A ARG 139.A NH1 TYR 135.A OH no hydrogen 3.144 N/A GLY 140.A N GLN 136.A O no hydrogen 2.947 N/A MET 141.A N VAL 137.A O no hydrogen 2.907 N/A GLU 142.A N ALA 138.A O no hydrogen 2.930 N/A PHE 143.A N ARG 139.A O no hydrogen 2.962 N/A LEU 144.A N GLY 140.A O no hydrogen 3.012 N/A ALA 145.A N MET 141.A O no hydrogen 2.943 N/A SER 146.A N GLU 142.A O no hydrogen 2.888 N/A SER 146.A OG PHE 143.A O no hydrogen 2.425 N/A LYS 147.A N PHE 143.A O no hydrogen 3.030 N/A ASN 148.A N ALA 145.A O no hydrogen 2.867 N/A ASN 148.A ND2 ALA 145.A O no hydrogen 3.279 N/A CYS 149.A N LEU 144.A O no hydrogen 2.705 N/A VAL 150.A N ARG 176.A O no hydrogen 2.978 N/A HIS 151.A N ASP 201.A OD2 no hydrogen 2.955 N/A HIS 151.A NE2 CYS 170.A O no hydrogen 2.585 N/A ARG 152.A N ASP 201.A OD1 no hydrogen 3.337 N/A ARG 152.A NH1 LEU 174.A O no hydrogen 2.568 N/A ASP 153.A N HIS 151.A ND1 no hydrogen 3.094 N/A ALA 156.A N GLU 211.A OE1 no hydrogen 3.199 N/A ARG 157.A NH2 ASP 153.A OD1 no hydrogen 2.955 N/A ASN 158.A N ALA 155.A O no hydrogen 2.956 N/A ASN 158.A ND2 ASP 153.A O no hydrogen 2.753 N/A VAL 159.A N ALA 156.A O no hydrogen 3.303 N/A LEU 160.A N LYS 168.A O no hydrogen 2.617 N/A LEU 161.A N GLY 109.A O no hydrogen 2.749 N/A ALA 162.A N ILE 166.A O no hydrogen 2.808 N/A LYS 165.A NZ TYR 114.A OH no hydrogen 3.177 N/A VAL 167.A N GLN 136.A OE1 no hydrogen 2.942 N/A LYS 168.A N LEU 160.A O no hydrogen 2.687 N/A LYS 168.A NZ LEU 84.A O no hydrogen 2.605 N/A ILE 169.A N ASN 85.A O no hydrogen 2.710 N/A CYS 170.A N ASN 158.A O no hydrogen 2.856 N/A CYS 170.A SG ASN 158.A O no hydrogen 3.395 N/A ARG 176.A N VAL 150.A O no hydrogen 3.020 N/A ARG 176.A NH1 ALA 175.A O no hydrogen 2.869 N/A THR 179.A OG1 PHE 180.A O no hydrogen 3.558 N/A VAL 183.A N LEU 181.A O no hydrogen 2.879 N/A LYS 184.A NZ PRO 219.A O no hydrogen 3.113 N/A LYS 184.A NZ TYR 220.A O no hydrogen 2.878 N/A LYS 184.A NZ MET 223.A O no hydrogen 2.724 N/A TRP 185.A N PRO 182.A O no hydrogen 3.051 N/A TRP 185.A NE1 GLU 211.A OE1 no hydrogen 2.953 N/A MET 186.A N VAL 183.A O no hydrogen 2.753 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.771 N/A SER 190.A OG LEU 195.A O no hydrogen 2.696 N/A ILE 191.A N ALA 187.A O no hydrogen 3.070 N/A PHE 192.A N PRO 188.A O no hydrogen 2.834 N/A ASP 193.A N GLU 189.A O no hydrogen 2.796 N/A LEU 195.A N GLU 189.A O no hydrogen 3.222 N/A THR 197.A N SER 200.A OG no hydrogen 2.922 N/A LEU 199.A N THR 197.A OG1 no hydrogen 2.892 N/A SER 200.A N THR 197.A O no hydrogen 3.109 N/A SER 200.A N THR 197.A OG1 no hydrogen 3.296 N/A SER 200.A OG THR 197.A O no hydrogen 2.423 N/A ASP 201.A N THR 197.A O no hydrogen 3.355 N/A VAL 202.A N THR 198.A O no hydrogen 3.024 N/A TRP 203.A N LEU 199.A O no hydrogen 3.297 N/A SER 204.A N SER 200.A O no hydrogen 3.342 N/A SER 204.A OG TRP 185.A O no hydrogen 2.590 N/A SER 204.A OG SER 200.A O no hydrogen 3.545 N/A TYR 205.A N ASP 201.A O no hydrogen 2.900 N/A TYR 205.A OH THR 134.A O no hydrogen 2.533 N/A GLY 206.A N VAL 202.A O no hydrogen 3.145 N/A ILE 207.A N TRP 203.A O no hydrogen 3.088 N/A LEU 208.A N SER 204.A O no hydrogen 2.758 N/A LEU 209.A N TYR 205.A O no hydrogen 2.796 N/A TRP 210.A N GLY 206.A O no hydrogen 3.072 N/A GLU 211.A N ILE 207.A O no hydrogen 3.049 N/A ILE 212.A N LEU 208.A O no hydrogen 2.840 N/A PHE 213.A N LEU 209.A O no hydrogen 2.829 N/A SER 214.A N GLU 211.A O no hydrogen 3.346 N/A SER 214.A OG TRP 210.A O no hydrogen 2.605 N/A SER 214.A OG GLU 211.A O no hydrogen 2.801 N/A LEU 215.A N ILE 212.A O no hydrogen 2.938 N/A GLY 216.A N GLU 211.A O no hydrogen 2.867 N/A GLY 217.A N SER 214.A OG no hydrogen 2.908 N/A MET 223.A N TYR 220.A O no hydrogen 3.090 N/A PHE 229.A N ASP 226.A OD1 no hydrogen 2.874 N/A TYR 230.A N ASP 226.A O no hydrogen 3.181 N/A ASN 231.A N SER 227.A O no hydrogen 3.040 N/A LYS 232.A N THR 228.A O no hydrogen 2.889 N/A ILE 233.A N PHE 229.A O no hydrogen 3.047 N/A LYS 234.A N TYR 230.A O no hydrogen 2.847 N/A SER 235.A N ASN 231.A O no hydrogen 2.805 N/A SER 235.A OG ASN 231.A O no hydrogen 2.705 N/A GLY 236.A N ILE 233.A O no hydrogen 3.029 N/A TYR 237.A N LYS 232.A O no hydrogen 2.846 N/A ARG 238.A NE TYR 237.A O no hydrogen 2.619 N/A HIS 244.A N PHE 213.A O no hydrogen 3.348 N/A ALA 245.A N PRO 242.A O no hydrogen 3.349 N/A VAL 249.A N THR 246.A OG1 no hydrogen 2.981 N/A TYR 250.A N THR 246.A O no hydrogen 3.059 N/A TYR 250.A OH MET 239.A O no hydrogen 3.054 N/A GLU 251.A N SER 247.A O no hydrogen 2.988 N/A ILE 252.A N GLU 248.A O no hydrogen 3.235 N/A MET 253.A N VAL 249.A O no hydrogen 3.057 N/A VAL 254.A N TYR 250.A O no hydrogen 2.854 N/A LYS 255.A N GLU 251.A O no hydrogen 2.926 N/A LYS 255.A NZ GLU 251.A OE2 no hydrogen 3.455 N/A CYS 256.A N ILE 252.A O no hydrogen 2.983 N/A CYS 256.A SG ILE 252.A O no hydrogen 3.222 N/A TRP 257.A N VAL 254.A O no hydrogen 3.034 N/A TRP 257.A NE1 TRP 203.A O no hydrogen 3.195 N/A ASN 258.A N LYS 255.A O no hydrogen 3.236 N/A ASN 258.A ND2 GLU 260.A OE1 no hydrogen 3.210 N/A GLU 260.A N ASN 258.A OD1 no hydrogen 2.715 N/A LYS 263.A N GLU 260.A O no hydrogen 2.824 N/A ARG 264.A N PRO 261.A O no hydrogen 3.118 N/A ARG 264.A NE ASN 258.A O no hydrogen 2.700 N/A ARG 264.A NH1 GLU 189.A OE2 no hydrogen 2.683 N/A ARG 264.A NH1 LEU 199.A O no hydrogen 3.102 N/A ARG 264.A NH2 GLU 189.A OE1 no hydrogen 2.729 N/A ARG 264.A NH2 ASN 258.A O no hydrogen 3.190 N/A HIS 269.A N SER 266.A OG no hydrogen 2.746 N/A LEU 270.A N SER 266.A O no hydrogen 2.510 N/A SER 271.A N PHE 267.A O no hydrogen 2.837 N/A SER 271.A N TYR 268.A O no hydrogen 2.946 N/A SER 271.A OG GLU 142.A OE1 no hydrogen 3.439 N/A SER 271.A OG PHE 267.A O no hydrogen 2.765 N/A GLU 272.A N TYR 268.A O no hydrogen 3.367 N/A ILE 273.A N HIS 269.A O no hydrogen 3.354 N/A VAL 274.A N LEU 270.A O no hydrogen 3.193 N/A GLU 275.A N SER 271.A O no hydrogen 2.947 N/A ASN 276.A N GLU 272.A O no hydrogen 3.162 N/A LEU 277.A N ILE 273.A O no hydrogen 3.358 N/A LEU 277.A N VAL 274.A O no hydrogen 2.765 N/A LEU 278.A N GLU 275.A O no hydrogen 2.905 N/A TYR 282.A N PRO 279.A O no hydrogen 2.831 N/A TYR 282.A OH SER 132.A OG no hydrogen 2.702 N/A LYS 283.A NZ GLU 275.A OE2 no hydrogen 2.957 N/A SER 285.A N GLN 281.A O no hydrogen 3.317 N/A SER 285.A OG GLN 281.A O no hydrogen 3.421 N/A SER 285.A OG TYR 282.A O no hydrogen 2.632 N/A TYR 286.A N TYR 282.A O no hydrogen 2.837 N/A TYR 286.A OH ASN 85.A OD1 no hydrogen 2.971 N/A GLU 287.A N LYS 283.A O no hydrogen 2.869 N/A LYS 288.A N LYS 284.A O no hydrogen 2.942 N/A ILE 289.A N SER 285.A O no hydrogen 3.063 N/A HIS 290.A N TYR 286.A O no hydrogen 2.763 N/A LEU 291.A N LYS 288.A O no hydrogen 3.040 N/A ASP 292.A N LYS 288.A O no hydrogen 2.962 N/A PHE 293.A N ILE 289.A O no hydrogen 2.932 N/A