Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kw8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N ASP 41.A OD1 no hydrogen 2.852 N/A ARG 5.A N THR 42.A O no hydrogen 2.860 N/A ARG 5.A NE ASP 41.A OD2 no hydrogen 2.956 N/A ARG 5.A NH1 ASP 41.A OD2 no hydrogen 2.775 N/A LEU 7.A N HIS 44.A O no hydrogen 3.018 N/A MET 9.A N GLU 46.A O no hydrogen 3.057 N/A TYR 10.A N GLY 22.A O no hydrogen 2.862 N/A ALA 11.A N THR 48.A O no hydrogen 3.041 N/A GLU 12.A N GLY 20.A O no hydrogen 2.887 N/A LYS 13.A NZ ASP 52.A OD1 no hydrogen 2.578 N/A LEU 14.A N GLN 18.A O no hydrogen 2.796 N/A GLY 17.A N LEU 14.A O no hydrogen 2.865 N/A GLN 18.A N ASP 16.A OD2 no hydrogen 3.068 N/A GLN 18.A NE2 ASP 16.A OD1 no hydrogen 2.734 N/A GLN 18.A NE2 ASP 16.A OD2 no hydrogen 3.473 N/A MET 19.A N ASN 127.A O no hydrogen 2.958 N/A GLY 20.A N GLU 12.A O no hydrogen 2.873 N/A TYR 21.A OH SER 56.A O no hydrogen 2.668 N/A GLY 22.A N TYR 10.A O no hydrogen 3.007 N/A GLY 26.A N GLU 12.A OE1 no hydrogen 2.899 N/A GLY 26.A N GLU 12.A OE2 no hydrogen 3.235 N/A LYS 27.A N GLU 24.A O no hydrogen 2.999 N/A SER 29.A N TYR 21.A O no hydrogen 2.929 N/A SER 29.A OG PRO 31.A O no hydrogen 2.765 N/A GLY 32.A N TYR 130.A O no hydrogen 2.739 N/A ILE 35.A N PRO 132.A O no hydrogen 3.110 N/A VAL 37.A N ILE 134.A O no hydrogen 3.003 N/A ASN 38.A N ASP 41.A OD2 no hydrogen 2.871 N/A GLU 39.A N ARG 136.A O no hydrogen 2.916 N/A GLY 40.A N THR 90.A OG1 no hydrogen 2.782 N/A ASP 41.A N ASN 38.A O no hydrogen 2.913 N/A THR 42.A N GLU 3.A O no hydrogen 2.872 N/A LEU 43.A N TRP 88.A O no hydrogen 2.793 N/A HIS 44.A N ARG 5.A O no hydrogen 2.909 N/A HIS 44.A ND1 THR 87.A OG1 no hydrogen 2.708 N/A ILE 45.A N TYR 86.A O no hydrogen 2.772 N/A GLU 46.A N LEU 7.A O no hydrogen 2.775 N/A PHE 47.A N ARG 84.A O no hydrogen 2.826 N/A THR 48.A N MET 9.A O no hydrogen 2.914 N/A THR 48.A OG1 THR 83.A OG1 no hydrogen 2.884 N/A ASN 49.A N GLY 82.A O no hydrogen 2.921 N/A ASN 49.A ND2 VAL 53.A O no hydrogen 2.855 N/A ASN 49.A ND2 VAL 78.A O no hydrogen 3.048 N/A ASN 49.A ND2 GLU 79.A O no hydrogen 3.437 N/A THR 50.A N ALA 11.A O no hydrogen 3.020 N/A THR 50.A OG1 ALA 11.A O no hydrogen 2.714 N/A MET 51.A N ASN 49.A OD1 no hydrogen 2.951 N/A ARG 54.A NE ASP 77.A OD2 no hydrogen 2.891 N/A ARG 54.A NH2 ASP 77.A OD1 no hydrogen 3.258 N/A ALA 55.A N VAL 78.A O no hydrogen 3.163 N/A SER 56.A N ASP 113.A OD1 no hydrogen 2.991 N/A SER 56.A OG GLY 70.A O no hydrogen 2.661 N/A LEU 57.A N TYR 86.A OH no hydrogen 3.375 N/A HIS 58.A N HIS 112.A O no hydrogen 2.732 N/A HIS 58.A ND1 ASP 69.A O no hydrogen 2.759 N/A HIS 60.A N HIS 110.A O no hydrogen 2.948 N/A LEU 62.A N HIS 60.A O no hydrogen 2.837 N/A ASP 63.A N ARG 89.A O no hydrogen 2.803 N/A SER 68.A N GLU 65.A O no hydrogen 2.787 N/A ASP 69.A N ILE 66.A O no hydrogen 3.160 N/A GLY 70.A N SER 76.A OG no hydrogen 2.849 N/A THR 71.A N ASP 69.A OD1 no hydrogen 2.985 N/A THR 71.A OG1 ASP 69.A OD1 no hydrogen 2.701 N/A THR 71.A OG1 ASP 69.A OD2 no hydrogen 2.957 N/A ASN 74.A N THR 71.A OG1 no hydrogen 3.213 N/A ASN 74.A ND2 ASP 69.A OD2 no hydrogen 2.867 N/A LYS 75.A N ALA 72.A O no hydrogen 2.853 N/A SER 76.A N THR 71.A O no hydrogen 2.954 N/A SER 76.A OG SER 67.A O no hydrogen 2.790 N/A VAL 78.A N ALA 55.A O no hydrogen 2.886 N/A GLU 79.A N GLU 79.A OE2 no hydrogen 2.769 N/A GLY 81.A N ASN 49.A O no hydrogen 2.760 N/A GLY 82.A N GLU 79.A O no hydrogen 2.923 N/A THR 83.A OG1 THR 48.A OG1 no hydrogen 2.884 N/A ARG 84.A N PHE 47.A O no hydrogen 2.871 N/A ARG 84.A NH2 SER 67.A O no hydrogen 2.963 N/A TYR 86.A N ILE 45.A O no hydrogen 2.862 N/A TYR 86.A OH SER 76.A O no hydrogen 2.731 N/A THR 87.A N SER 68.A OG no hydrogen 3.150 N/A THR 87.A OG1 HIS 44.A ND1 no hydrogen 2.708 N/A TRP 88.A N LEU 43.A O no hydrogen 2.849 N/A ARG 89.A N ASP 63.A O no hydrogen 2.643 N/A ARG 89.A NH1 GLU 65.A OE2 no hydrogen 3.184 N/A THR 90.A OG1 ASN 38.A O no hydrogen 3.375 N/A THR 90.A OG1 ASP 41.A O no hydrogen 2.766 N/A HIS 91.A N SER 105.A OG no hydrogen 2.929 N/A HIS 91.A ND1 ASP 63.A OD2 no hydrogen 2.696 N/A GLY 94.A N ARG 102.A O no hydrogen 3.099 N/A ARG 95.A NE GLY 99.A O no hydrogen 3.035 N/A ARG 95.A NH2 GLY 99.A O no hydrogen 3.330 N/A ARG 96.A N THR 100.A O no hydrogen 2.824 N/A ARG 96.A NH1 THR 100.A OG1 no hydrogen 2.758 N/A GLY 99.A N ARG 96.A O no hydrogen 3.024 N/A THR 100.A N ASP 98.A OD1 no hydrogen 2.923 N/A THR 100.A OG1 ASP 98.A OD1 no hydrogen 2.411 N/A ARG 102.A N GLY 94.A O no hydrogen 2.841 N/A GLY 104.A N HIS 91.A NE2 no hydrogen 3.228 N/A SER 105.A N HIS 91.A O no hydrogen 3.030 N/A SER 105.A OG HIS 91.A ND1 no hydrogen 3.303 N/A SER 105.A OG HIS 91.A O no hydrogen 3.567 N/A ALA 106.A N GLU 39.A OE2 no hydrogen 2.777 N/A GLY 107.A N VAL 135.A O no hydrogen 2.995 N/A TYR 108.A OH GLU 176.A OE2 no hydrogen 2.596 N/A TRP 109.A N VAL 133.A O no hydrogen 2.832 N/A TRP 109.A NE1 SER 105.A O no hydrogen 2.877 N/A HIS 110.A NE2 ALA 222.A O no hydrogen 2.944 N/A TYR 111.A N GLY 131.A O no hydrogen 2.856 N/A TYR 111.A OH PRO 33.A O no hydrogen 2.590 N/A HIS 112.A N HIS 58.A O no hydrogen 2.814 N/A HIS 112.A ND1 ASP 113.A O no hydrogen 2.745 N/A ASP 113.A N LEU 129.A O no hydrogen 3.113 N/A HIS 114.A N SER 56.A OG no hydrogen 3.036 N/A HIS 114.A ND1 HIS 114.A O no hydrogen 2.684 N/A HIS 114.A ND1 GLU 119.A O no hydrogen 2.868 N/A VAL 115.A N ASP 113.A OD1 no hydrogen 3.153 N/A VAL 115.A N ASP 113.A OD2 no hydrogen 3.291 N/A VAL 116.A N ASP 113.A OD2 no hydrogen 2.825 N/A THR 118.A OG1 THR 122.A OG1 no hydrogen 3.114 N/A HIS 120.A N THR 118.A OG1 no hydrogen 3.101 N/A GLY 121.A N THR 118.A O no hydrogen 2.987 N/A THR 122.A N THR 118.A OG1 no hydrogen 3.330 N/A THR 122.A OG1 THR 118.A OG1 no hydrogen 3.114 N/A GLY 124.A N VAL 116.A O no hydrogen 3.025 N/A ILE 125.A N GLY 121.A O no hydrogen 2.813 N/A ARG 126.A N THR 122.A O no hydrogen 3.127 N/A ARG 126.A NH1 ASP 153.A OD2 no hydrogen 3.526 N/A ASN 127.A N GLY 123.A O no hydrogen 2.939 N/A GLY 128.A N GLY 124.A O no hydrogen 3.050 N/A GLY 128.A N ILE 125.A O no hydrogen 3.186 N/A LEU 129.A N GLY 124.A O no hydrogen 2.893 N/A TYR 130.A N GLY 128.A O no hydrogen 2.889 N/A TYR 130.A OH ASN 158.A OD1 no hydrogen 2.562 N/A GLY 131.A N TYR 111.A O no hydrogen 2.964 N/A VAL 133.A N TRP 109.A O no hydrogen 3.043 N/A ILE 134.A N ILE 35.A O no hydrogen 2.871 N/A VAL 135.A N GLY 107.A O no hydrogen 3.028 N/A ARG 136.A N VAL 37.A O no hydrogen 2.893 N/A ARG 136.A NE GLU 36.A OE2 no hydrogen 2.835 N/A ARG 136.A NH1 GLU 176.A OE2 no hydrogen 2.805 N/A ARG 136.A NH2 GLU 36.A OE1 no hydrogen 3.235 N/A ARG 136.A NH2 GLU 36.A OE2 no hydrogen 3.389 N/A ARG 136.A NH2 GLU 176.A OE1 no hydrogen 2.791 N/A ARG 136.A NH2 GLU 176.A OE2 no hydrogen 3.503 N/A ARG 137.A N ASP 140.A OD2 no hydrogen 2.889 N/A ARG 137.A NE GLU 39.A OE1 no hydrogen 2.924 N/A ARG 137.A NH2 GLU 39.A OE2 no hydrogen 2.701 N/A ASP 140.A N ARG 137.A O no hydrogen 2.963 N/A ASP 144.A N ARG 174.A O no hydrogen 2.767 N/A THR 146.A OG1 GLU 176.A OE1 no hydrogen 2.709 N/A HIS 147.A N GLU 176.A O no hydrogen 2.878 N/A ILE 149.A N VAL 178.A O no hydrogen 2.868 N/A VAL 150.A N ASN 157.A OD1 no hydrogen 2.795 N/A PHE 151.A N ILE 180.A O no hydrogen 2.924 N/A ASN 152.A N THR 155.A O no hydrogen 2.901 N/A ASN 152.A ND2 ILE 125.A O no hydrogen 3.107 N/A ASN 152.A ND2 ARG 126.A O no hydrogen 3.494 N/A ASN 152.A ND2 ASN 158.A OD1 no hydrogen 2.911 N/A ASP 153.A N HIS 182.A O no hydrogen 3.050 N/A THR 155.A N ASN 152.A O no hydrogen 2.899 N/A THR 155.A OG1 ASN 152.A O no hydrogen 2.778 N/A ASN 157.A N VAL 150.A O no hydrogen 2.849 N/A ASN 157.A ND2 THR 148.A O no hydrogen 3.124 N/A ASN 158.A N THR 155.A OG1 no hydrogen 3.069 N/A ASN 158.A ND2 GLN 18.A OE1 no hydrogen 2.947 N/A ASN 158.A ND2 ARG 126.A O no hydrogen 3.063 N/A ARG 159.A N ILE 156.A O no hydrogen 2.936 N/A HIS 162.A N GLY 253.A O no hydrogen 3.147 N/A THR 163.A OG1 LYS 160.A O no hydrogen 2.657 N/A PHE 167.A N LEU 257.A O no hydrogen 2.980 N/A ALA 169.A N LEU 259.A O no hydrogen 2.929 N/A THR 170.A N ASP 173.A OD2 no hydrogen 2.828 N/A VAL 171.A N LYS 261.A O no hydrogen 2.994 N/A GLY 172.A N ALA 231.A O no hydrogen 2.841 N/A ASP 173.A N THR 170.A O no hydrogen 2.826 N/A ARG 174.A N ASP 144.A OD2 no hydrogen 2.735 N/A ARG 174.A NH1 GLN 228.A OE1 no hydrogen 2.898 N/A VAL 175.A N ILE 229.A O no hydrogen 2.883 N/A GLU 176.A N ALA 145.A O no hydrogen 2.942 N/A ILE 177.A N PHE 227.A O no hydrogen 2.863 N/A VAL 178.A N HIS 147.A O no hydrogen 2.942 N/A MET 179.A N PHE 225.A O no hydrogen 2.809 N/A ILE 180.A N ILE 149.A O no hydrogen 2.973 N/A THR 181.A N ASP 223.A O no hydrogen 3.033 N/A THR 181.A OG1 THR 219.A OG1 no hydrogen 2.795 N/A HIS 182.A N PHE 151.A O no hydrogen 2.838 N/A GLU 184.A N ASP 153.A OD1 no hydrogen 2.846 N/A HIS 187.A N THR 219.A O no hydrogen 2.951 N/A PHE 189.A N LYS 217.A O no hydrogen 2.948 N/A HIS 190.A N HIS 243.A O no hydrogen 2.898 N/A HIS 190.A ND1 ASP 215.A O no hydrogen 2.698 N/A MET 191.A N ASP 215.A O no hydrogen 3.271 N/A HIS 192.A N MET 241.A O no hydrogen 2.819 N/A HIS 194.A ND1 HIS 192.A O no hydrogen 2.857 N/A ARG 195.A NH2.A GLY 193.A O no hydrogen 3.100 N/A TRP 196.A N ILE 214.A O no hydrogen 2.958 N/A ALA 197.A N GLY 202.A O no hydrogen 2.938 N/A ASP 198.A N ARG 212.A O no hydrogen 2.871 N/A ASN 199.A N ALA 197.A O no hydrogen 2.919 N/A ASN 199.A ND2 ILE 203.A O no hydrogen 2.967 N/A ASN 199.A ND2 ASP 209.A OD2 no hydrogen 3.006 N/A ARG 200.A NH1 ASP 140.A OD2 no hydrogen 3.008 N/A ARG 200.A NH2 ASP 140.A OD1 no hydrogen 2.982 N/A GLY 202.A N ASN 199.A OD1 no hydrogen 2.795 N/A ILE 203.A N THR 201.A OG1 no hydrogen 3.080 N/A THR 205.A N ASP 209.A OD2 no hydrogen 3.102 N/A ASP 209.A N GLY 206.A O no hydrogen 3.174 N/A SER 211.A N ASP 209.A OD1 no hydrogen 2.904 N/A SER 211.A OG ASP 209.A OD1 no hydrogen 2.522 N/A ILE 214.A N TRP 196.A O no hydrogen 2.859 N/A LYS 217.A N PHE 189.A O no hydrogen 3.016 N/A LYS 217.A NZ ASP 198.A OD2 no hydrogen 2.957 N/A THR 219.A N HIS 187.A O no hydrogen 2.873 N/A THR 219.A OG1 THR 181.A OG1 no hydrogen 2.795 N/A GLY 220.A N ASP 223.A OD2 no hydrogen 2.965 N/A ALA 222.A N THR 181.A O no hydrogen 2.630 N/A ASP 223.A N GLY 220.A O no hydrogen 2.951 N/A SER 224.A OG TYR 108.A O no hydrogen 2.693 N/A PHE 225.A N MET 179.A O no hydrogen 3.048 N/A PHE 227.A N ILE 177.A O no hydrogen 3.021 N/A GLN 228.A NE2 VAL 141.A O no hydrogen 2.855 N/A GLN 228.A NE2 GLU 176.A OE2 no hydrogen 3.083 N/A ILE 229.A N VAL 175.A O no hydrogen 2.851 N/A ALA 231.A N ASP 173.A O no hydrogen 2.815 N/A GLY 232.A N HIS 194.A NE2 no hydrogen 3.069 N/A GLU 233.A N ILE 230.A O no hydrogen 3.004 N/A VAL 235.A N GLY 232.A O no hydrogen 3.032 N/A GLY 236.A N GLY 232.A O no hydrogen 2.801 N/A GLY 238.A N VAL 260.A O no hydrogen 2.898 N/A TRP 240.A N PHE 258.A O no hydrogen 2.981 N/A TRP 240.A NE1 GLY 236.A O no hydrogen 3.176 N/A TYR 242.A N GLY 256.A O no hydrogen 3.112 N/A TYR 242.A OH PRO 165.A O no hydrogen 2.674 N/A HIS 243.A N HIS 190.A O no hydrogen 2.945 N/A HIS 243.A ND1 CYS 244.A O no hydrogen 2.669 N/A CYS 244.A N MET 254.A O no hydrogen 3.039 N/A CYS 244.A SG HIS 187.A ND1 no hydrogen 3.729 N/A CYS 244.A SG THR 188.A O no hydrogen 3.743 N/A CYS 244.A SG HIS 249.A ND1 no hydrogen 3.620 N/A HIS 245.A N THR 188.A O no hydrogen 2.743 N/A HIS 245.A N THR 188.A OG1 no hydrogen 3.256 N/A HIS 245.A ND1 HIS 245.A O no hydrogen 2.704 N/A HIS 249.A N VAL 246.A O no hydrogen 2.914 N/A HIS 249.A ND1 HIS 187.A ND1 no hydrogen 3.167 N/A SER 250.A N VAL 246.A O no hydrogen 3.100 N/A SER 250.A OG GLN 247.A O no hydrogen 3.049 N/A ASP 251.A N GLN 247.A O no hydrogen 3.021 N/A MET 252.A N SER 248.A O no hydrogen 2.915 N/A GLY 253.A N SER 250.A O no hydrogen 3.070 N/A MET 254.A N HIS 249.A O no hydrogen 2.985 N/A GLY 256.A N TYR 242.A O no hydrogen 2.960 N/A LEU 257.A N ASP 166.A OD2 no hydrogen 2.929 N/A PHE 258.A N TRP 240.A O no hydrogen 2.767 N/A LEU 259.A N PHE 167.A O no hydrogen 2.794 N/A VAL 260.A N GLY 238.A O no hydrogen 2.911 N/A LYS 261.A N ALA 169.A O no hydrogen 2.758 N/A LYS 261.A NZ GLU 168.A OE1 no hydrogen 2.757 N/A LYS 262.A N THR 266.A O no hydrogen 2.886 N/A GLY 265.A N LYS 262.A O no hydrogen 2.819 N/A THR 266.A N ASP 264.A OD1 no hydrogen 2.820 N/A THR 266.A OG1 ASP 264.A OD1 no hydrogen 2.444 N/A THR 266.A OG1 ASP 264.A OD2 no hydrogen 3.230 N/A GLY 269.A N GLU 271.A OE1 no hydrogen 3.098 N/A TYR 270.A N ILE 267.A O no hydrogen 2.843 N/A GLU 271.A N GLU 271.A OE2 no hydrogen 2.639 N/A