Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ug9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N CYS 25.A O no hydrogen 2.746 N/A GLN 5.A NE2 ASN 22.A OD1 no hydrogen 2.794 N/A SER 7.A N GLN 5.A OE1 no hydrogen 3.250 N/A THR 9.A N CYS 18.A O no hydrogen 3.026 N/A THR 9.A OG1 GLU 11.A OE1 no hydrogen 2.999 N/A GLU 11.A N VAL 16.A O no hydrogen 2.719 N/A SER 15.A N GLU 11.A O no hydrogen 3.027 N/A SER 15.A N ASN 12.A O no hydrogen 3.130 N/A SER 15.A OG ASN 12.A O no hydrogen 2.548 N/A VAL 16.A N GLU 11.A O no hydrogen 2.864 N/A CYS 18.A N THR 9.A O no hydrogen 2.804 N/A ASN 22.A N PRO 20.A O no hydrogen 2.733 N/A GLN 24.A NE2 MET 2.A O no hydrogen 3.633 N/A TRP 30.A NE1 SER 93.A O no hydrogen 2.923 N/A LEU 31.A N LEU 28.A O no hydrogen 2.916 N/A LYS 32.A N ALA 29.A O no hydrogen 3.404 N/A THR 36.A N GLU 39.A OE1 no hydrogen 3.095 N/A ALA 38.A N ASN 37.A OD1 no hydrogen 3.187 N/A GLU 39.A N THR 36.A OG1 no hydrogen 3.019 N/A LYS 40.A N THR 36.A O no hydrogen 2.829 N/A LYS 40.A NZ ASN 44.A OD1 no hydrogen 3.248 N/A LEU 41.A N ASN 37.A O no hydrogen 2.786 N/A ALA 42.A N ALA 38.A O no hydrogen 2.751 N/A ALA 43.A N GLU 39.A O no hydrogen 2.752 N/A ASN 44.A N LYS 40.A O no hydrogen 2.816 N/A ILE 45.A N LEU 41.A O no hydrogen 2.831 N/A LEU 46.A N ALA 42.A O no hydrogen 3.096 N/A GLN 47.A N ALA 43.A O no hydrogen 2.953 N/A GLN 47.A NE2 GLU 84.A OE1 no hydrogen 3.109 N/A TRP 48.A N ASN 44.A O no hydrogen 3.058 N/A ILE 49.A N ILE 45.A O no hydrogen 2.886 N/A THR 50.A N LEU 46.A O no hydrogen 2.905 N/A THR 50.A OG1 GLN 47.A O no hydrogen 3.101 N/A PHE 51.A N GLN 47.A O no hydrogen 2.816 N/A ALA 52.A N TRP 48.A O no hydrogen 2.605 N/A LEU 53.A N ILE 49.A O no hydrogen 2.815 N/A SER 54.A N THR 50.A O no hydrogen 2.763 N/A SER 54.A OG THR 50.A O no hydrogen 2.447 N/A ALA 55.A N PHE 51.A O no hydrogen 2.830 N/A LEU 56.A N ALA 52.A O no hydrogen 2.790 N/A CYS 57.A N LEU 53.A O no hydrogen 2.472 N/A CYS 57.A SG LEU 53.A O no hydrogen 2.904 N/A LEU 58.A N SER 54.A O no hydrogen 2.868 N/A MET 59.A N ALA 55.A O no hydrogen 2.704 N/A PHE 60.A N LEU 56.A O no hydrogen 2.883 N/A TYR 61.A N CYS 57.A O no hydrogen 2.711 N/A TYR 68.A N TRP 64.A O no hydrogen 2.736 N/A VAL 69.A N GLU 65.A O no hydrogen 2.984 N/A ALA 70.A N GLU 66.A O no hydrogen 3.060 N/A THR 71.A N ILE 67.A O no hydrogen 2.796 N/A THR 71.A OG1 ILE 67.A O no hydrogen 2.493 N/A ILE 72.A N TYR 68.A O no hydrogen 2.959 N/A GLU 73.A N VAL 69.A O no hydrogen 2.656 N/A MET 74.A N ALA 70.A O no hydrogen 3.015 N/A ILE 75.A N THR 71.A O no hydrogen 2.934 N/A LYS 76.A N ILE 72.A O no hydrogen 2.807 N/A LYS 76.A NZ GLU 106.A OE1 no hydrogen 3.361 N/A PHE 77.A N GLU 73.A O no hydrogen 3.191 N/A ILE 78.A N MET 74.A O no hydrogen 3.129 N/A ILE 79.A N ILE 75.A O no hydrogen 3.159 N/A GLU 80.A N LYS 76.A O no hydrogen 2.741 N/A TYR 81.A N PHE 77.A O no hydrogen 2.679 N/A PHE 82.A N ILE 78.A O no hydrogen 3.417 N/A HIS 83.A N ILE 79.A O no hydrogen 2.518 N/A GLU 84.A N GLU 80.A O no hydrogen 3.151 N/A ASP 86.A N HIS 83.A O no hydrogen 2.728 N/A VAL 90.A N ASP 86.A O no hydrogen 3.223 N/A ILE 91.A N THR 99.A O no hydrogen 2.605 N/A TYR 92.A N GLU 87.A OE1 no hydrogen 2.846 N/A TYR 92.A OH PHE 85.A O no hydrogen 2.569 N/A SER 93.A N ASN 97.A O no hydrogen 2.988 N/A SER 93.A OG ASN 95.A OD1 no hydrogen 2.832 N/A ASN 95.A ND2 LEU 151.A O no hydrogen 2.821 N/A GLY 96.A N SER 93.A O no hydrogen 2.766 N/A ASN 97.A N ASN 95.A OD1 no hydrogen 3.043 N/A ASN 97.A ND2 SER 152.A O no hydrogen 2.599 N/A LYS 98.A NZ TRP 30.A O no hydrogen 3.558 N/A LYS 98.A NZ LYS 32.A O no hydrogen 2.699 N/A LYS 98.A NZ ASN 34.A OD1 no hydrogen 2.959 N/A THR 99.A N ILE 91.A O no hydrogen 2.794 N/A THR 99.A OG1 ALA 150.A O no hydrogen 3.291 N/A LEU 102.A N ALA 89.A O no hydrogen 2.939 N/A ARG 103.A N VAL 100.A O no hydrogen 2.938 N/A TYR 104.A N VAL 100.A O no hydrogen 3.235 N/A ALA 105.A N TRP 101.A O no hydrogen 2.659 N/A GLU 106.A N LEU 102.A O no hydrogen 2.955 N/A TRP 107.A N ARG 103.A O no hydrogen 2.850 N/A LEU 108.A N TYR 104.A O no hydrogen 2.978 N/A LEU 109.A N ALA 105.A O no hydrogen 3.021 N/A THR 110.A N GLU 106.A O no hydrogen 2.753 N/A THR 110.A N TRP 107.A O no hydrogen 3.249 N/A THR 110.A OG1 GLU 106.A O no hydrogen 2.809 N/A CYS 111.A N TRP 107.A O no hydrogen 2.804 N/A CYS 111.A SG TRP 107.A O no hydrogen 3.248 N/A ILE 114.A N THR 110.A O no hydrogen 2.793 N/A LEU 115.A N CYS 111.A O no hydrogen 2.806 N/A ILE 116.A N PRO 112.A O no hydrogen 2.683 N/A HIS 117.A N VAL 113.A O no hydrogen 2.925 N/A HIS 117.A ND1 GLU 66.A OE1 no hydrogen 2.849 N/A LEU 118.A N ILE 114.A O no hydrogen 2.696 N/A SER 119.A N LEU 115.A O no hydrogen 2.836 N/A SER 119.A OG LEU 115.A O no hydrogen 2.667 N/A ASN 120.A N HIS 117.A O no hydrogen 2.842 N/A ASN 120.A ND2 ALA 125.A O no hydrogen 3.456 N/A ASN 120.A ND2 TYR 128.A OH no hydrogen 3.517 N/A GLY 123.A N ASN 120.A O no hydrogen 2.922 N/A LEU 124.A N THR 122.A OG1 no hydrogen 3.257 N/A MET 133.A N ASN 129.A O no hydrogen 3.450 N/A GLY 134.A N LYS 130.A O no hydrogen 3.035 N/A LEU 135.A N ARG 131.A O no hydrogen 2.842 N/A LEU 136.A N THR 132.A O no hydrogen 2.929 N/A VAL 137.A N MET 133.A O no hydrogen 2.863 N/A SER 138.A N GLY 134.A O no hydrogen 2.851 N/A SER 138.A OG GLY 134.A O no hydrogen 2.905 N/A SER 138.A OG LEU 135.A O no hydrogen 3.066 N/A SER 138.A OG THR 171.A OG1 no hydrogen 2.433 N/A ASP 139.A N LEU 135.A O no hydrogen 3.002 N/A ILE 140.A N LEU 136.A O no hydrogen 2.935 N/A GLY 141.A N VAL 137.A O no hydrogen 2.947 N/A THR 142.A N SER 138.A O no hydrogen 2.804 N/A ILE 143.A N ASP 139.A O no hydrogen 3.099 N/A VAL 144.A N ILE 140.A O no hydrogen 2.874 N/A TRP 145.A N GLY 141.A O no hydrogen 2.906 N/A GLY 146.A N THR 142.A O no hydrogen 2.787 N/A THR 147.A N ILE 143.A O no hydrogen 2.751 N/A THR 147.A OG1 ILE 143.A O no hydrogen 2.572 N/A THR 148.A N VAL 144.A O no hydrogen 2.850 N/A THR 148.A OG1 VAL 144.A O no hydrogen 2.750 N/A ALA 149.A N TRP 145.A O no hydrogen 2.669 N/A ALA 150.A N GLY 146.A O no hydrogen 2.716 N/A LEU 151.A N THR 147.A O no hydrogen 2.891 N/A SER 152.A N ALA 149.A O no hydrogen 3.029 N/A SER 152.A OG THR 148.A O no hydrogen 2.776 N/A ARG 157.A N LYS 153.A O no hydrogen 3.034 N/A ARG 157.A NE ALA 149.A O no hydrogen 2.845 N/A ARG 157.A NH2 ALA 150.A O no hydrogen 2.853 N/A VAL 158.A N GLY 154.A O no hydrogen 2.956 N/A ILE 159.A N TYR 155.A O no hydrogen 2.819 N/A PHE 160.A N VAL 156.A O no hydrogen 2.962 N/A PHE 161.A N ARG 157.A O no hydrogen 2.878 N/A LEU 162.A N VAL 158.A O no hydrogen 2.854 N/A MET 163.A N ILE 159.A O no hydrogen 2.762 N/A GLY 164.A N PHE 160.A O no hydrogen 2.669 N/A LEU 165.A N PHE 161.A O no hydrogen 2.701 N/A CYS 166.A N LEU 162.A O no hydrogen 2.855 N/A CYS 166.A SG LEU 162.A O no hydrogen 3.337 N/A TYR 167.A N MET 163.A O no hydrogen 3.077 N/A GLY 168.A N GLY 164.A O no hydrogen 2.765 N/A ILE 169.A N LEU 165.A O no hydrogen 2.799 N/A TYR 170.A N CYS 166.A O no hydrogen 3.167 N/A THR 171.A N TYR 167.A O no hydrogen 2.879 N/A THR 171.A OG1 SER 138.A OG no hydrogen 2.433 N/A THR 171.A OG1 TYR 167.A O no hydrogen 2.943 N/A PHE 172.A N GLY 168.A O no hydrogen 2.759 N/A PHE 173.A N ILE 169.A O no hydrogen 2.888 N/A ASN 174.A N TYR 170.A O no hydrogen 2.956 N/A ASN 174.A ND2 ARG 131.A O no hydrogen 3.393 N/A ALA 175.A N THR 171.A O no hydrogen 2.769 N/A ALA 176.A N PHE 172.A O no hydrogen 2.844 N/A LYS 177.A N PHE 173.A O no hydrogen 3.118 N/A VAL 178.A N ASN 174.A O no hydrogen 3.085 N/A TYR 179.A N ALA 175.A O no hydrogen 2.836 N/A ILE 180.A N ALA 176.A O no hydrogen 2.754 N/A GLU 181.A N LYS 177.A O no hydrogen 2.720 N/A ALA 182.A N VAL 178.A O no hydrogen 2.706 N/A TYR 183.A N TYR 179.A O no hydrogen 2.889 N/A HIS 184.A N ILE 180.A O no hydrogen 3.324 N/A HIS 184.A ND1 ILE 180.A O no hydrogen 2.900 N/A THR 185.A N ALA 182.A O no hydrogen 2.924 N/A THR 185.A OG1 GLU 181.A O no hydrogen 2.707 N/A VAL 186.A N ALA 182.A O no hydrogen 2.903 N/A ARG 192.A N GLY 189.A O no hydrogen 3.159 N/A ARG 192.A NE VAL 186.A O no hydrogen 3.047 N/A ARG 192.A NH2 VAL 186.A O no hydrogen 3.565 N/A VAL 194.A N ARG 190.A O no hydrogen 3.086 N/A VAL 195.A N CYS 191.A O no hydrogen 3.170 N/A THR 196.A N ARG 192.A O no hydrogen 3.038 N/A THR 196.A OG1 ARG 192.A O no hydrogen 2.752 N/A GLY 197.A N GLN 193.A O no hydrogen 2.806 N/A MET 198.A N VAL 194.A O no hydrogen 2.570 N/A ALA 199.A N VAL 195.A O no hydrogen 2.835 N/A TRP 200.A N THR 196.A O no hydrogen 2.993 N/A LEU 201.A N GLY 197.A O no hydrogen 2.788 N/A PHE 202.A N MET 198.A O no hydrogen 2.682 N/A PHE 203.A N ALA 199.A O no hydrogen 2.780 N/A VAL 204.A N TRP 200.A O no hydrogen 3.052 N/A SER 205.A N LEU 201.A O no hydrogen 3.095 N/A TRP 206.A N PHE 202.A O no hydrogen 2.741 N/A GLY 207.A N PHE 203.A O no hydrogen 2.965 N/A MET 208.A N VAL 204.A O no hydrogen 2.906 N/A MET 208.A N SER 205.A O no hydrogen 3.153 N/A PHE 209.A N TRP 206.A O no hydrogen 3.267 N/A LEU 212.A N MET 208.A O no hydrogen 2.709 N/A PHE 213.A N PHE 209.A O no hydrogen 2.829 N/A ILE 214.A N PRO 210.A O no hydrogen 2.923 N/A LEU 215.A N ILE 211.A O no hydrogen 2.808 N/A GLY 216.A N LEU 212.A O no hydrogen 2.645 N/A GLY 216.A N PHE 213.A O no hydrogen 3.169 N/A GLU 218.A N GLU 218.A OE2 no hydrogen 2.629 N/A GLY 219.A N GLY 216.A O no hydrogen 2.741 N/A PHE 220.A N ILE 214.A O no hydrogen 2.867 N/A GLY 221.A N GLY 216.A O no hydrogen 2.808 N/A LEU 223.A N LEU 215.A O no hydrogen 2.906 N/A SER 224.A OG GLU 39.A OE1 no hydrogen 2.573 N/A TYR 226.A N ASN 34.A O no hydrogen 2.874 N/A GLY 227.A N SER 224.A OG no hydrogen 2.812 N/A SER 228.A N SER 224.A O no hydrogen 2.750 N/A SER 228.A OG HIS 232.A ND1 no hydrogen 3.063 N/A THR 229.A N VAL 225.A O no hydrogen 2.812 N/A THR 229.A OG1 VAL 225.A O no hydrogen 2.877 N/A VAL 230.A N TYR 226.A O no hydrogen 2.772 N/A GLY 231.A N GLY 227.A O no hydrogen 2.984 N/A HIS 232.A N SER 228.A O no hydrogen 2.790 N/A HIS 232.A ND1 SER 228.A O no hydrogen 2.672 N/A THR 233.A N THR 229.A O no hydrogen 2.837 N/A THR 233.A OG1 THR 229.A O no hydrogen 2.547 N/A ILE 234.A N VAL 230.A O no hydrogen 3.139 N/A ILE 235.A N GLY 231.A O no hydrogen 3.100 N/A ASP 236.A N HIS 232.A O no hydrogen 2.673 N/A LEU 237.A N THR 233.A O no hydrogen 2.963 N/A MET 238.A N ILE 234.A O no hydrogen 3.044 N/A SER 239.A N ILE 235.A O no hydrogen 2.731 N/A SER 239.A OG ILE 235.A O no hydrogen 2.540 N/A SER 239.A OG ASP 236.A O no hydrogen 3.427 N/A LYS 240.A N ASP 236.A O no hydrogen 2.659 N/A LYS 240.A NZ GLU 106.A OE1 no hydrogen 3.443 N/A LYS 240.A NZ ASP 236.A OD2 no hydrogen 3.014 N/A ASN 241.A N LEU 237.A O no hydrogen 3.123 N/A ASN 241.A ND2 SER 54.A OG no hydrogen 2.919 N/A CYS 242.A N LEU 237.A O no hydrogen 2.865 N/A CYS 242.A SG LEU 237.A O no hydrogen 3.466 N/A TRP 243.A N MET 238.A O no hydrogen 3.067 N/A TRP 243.A NE1 TYR 179.A OH no hydrogen 2.674 N/A GLY 244.A N LYS 240.A O no hydrogen 3.282 N/A LEU 245.A N ASN 241.A O no hydrogen 2.988 N/A LEU 246.A N CYS 242.A O no hydrogen 2.991 N/A GLY 247.A N TRP 243.A O no hydrogen 2.759 N/A HIS 248.A N GLY 244.A O no hydrogen 2.752 N/A TYR 249.A N LEU 245.A O no hydrogen 2.768 N/A LEU 250.A N LEU 246.A O no hydrogen 2.600 N/A ARG 251.A N GLY 247.A O no hydrogen 3.116 N/A ARG 251.A NE ASN 120.A O no hydrogen 3.388 N/A ARG 251.A NE LEU 121.A O no hydrogen 3.455 N/A ARG 251.A NH1 GLU 65.A OE1 no hydrogen 2.503 N/A ARG 251.A NH1 ASN 120.A O no hydrogen 2.691 N/A ARG 251.A NH2 GLU 65.A OE1 no hydrogen 3.058 N/A VAL 252.A N HIS 248.A O no hydrogen 2.934 N/A LEU 253.A N TYR 249.A O no hydrogen 2.910 N/A ILE 254.A N LEU 250.A O no hydrogen 2.876 N/A HIS 255.A N ARG 251.A O no hydrogen 2.896 N/A GLU 256.A N VAL 252.A O no hydrogen 2.891 N/A HIS 257.A N LEU 253.A O no hydrogen 2.935 N/A ILE 258.A N ILE 254.A O no hydrogen 2.676 N/A LEU 259.A N HIS 255.A O no hydrogen 2.643 N/A ILE 260.A N GLU 256.A O no hydrogen 2.924 N/A HIS 261.A N HIS 257.A O no hydrogen 2.798 N/A ARG 265.A NE ASP 263.A OD2 no hydrogen 2.625 N/A ARG 265.A NH1 GLU 274.A O no hydrogen 2.488 N/A ARG 265.A NH2 ASP 263.A OD1 no hydrogen 3.395 N/A LYS 266.A N THR 275.A O no hydrogen 3.019 N/A THR 267.A OG1 GLU 274.A OE1 no hydrogen 2.844 N/A THR 267.A OG1 GLU 274.A OE2 no hydrogen 3.254 N/A THR 268.A N VAL 273.A O no hydrogen 2.956 N/A THR 268.A OG1 VAL 273.A O no hydrogen 3.306 N/A THR 268.A OG1 THR 275.A OG1 no hydrogen 3.003 N/A LEU 270.A N ILE 271.A O no hydrogen 2.783 N/A VAL 273.A N THR 268.A O no hydrogen 2.999 N/A THR 275.A N LYS 266.A O no hydrogen 3.180 N/A THR 275.A OG1 HIS 184.A O no hydrogen 2.738 N/A THR 275.A OG1 LYS 266.A O no hydrogen 3.512 N/A THR 275.A OG1 THR 268.A OG1 no hydrogen 3.003 N/A LEU 276.A N THR 185.A O no hydrogen 2.721 N/A VAL 277.A N ILE 264.A O no hydrogen 2.953 N/A