Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kpw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 ARG 224.A O no hydrogen 2.702 N/A GLU 5.A N HIS 3.A ND1 no hydrogen 2.960 N/A LEU 6.A N HIS 3.A O no hydrogen 3.074 N/A GLN 7.A N GLY 4.A O no hydrogen 3.083 N/A GLN 7.A NE2 GLY 4.A O no hydrogen 2.957 N/A GLN 7.A NE2 ARG 38.A O no hydrogen 2.761 N/A TYR 8.A OH MET 169.A O no hydrogen 2.610 N/A LEU 9.A N GLU 5.A O no hydrogen 3.084 N/A GLY 10.A N LEU 6.A O no hydrogen 2.827 N/A GLN 11.A N GLN 7.A O no hydrogen 2.883 N/A ILE 12.A N TYR 8.A O no hydrogen 2.974 N/A GLN 13.A N LEU 9.A O no hydrogen 3.006 N/A HIS 14.A N GLY 10.A O no hydrogen 2.884 N/A ILE 15.A N GLN 11.A O no hydrogen 2.987 N/A LEU 16.A N ILE 12.A O no hydrogen 2.963 N/A ARG 17.A N GLN 13.A O no hydrogen 2.942 N/A VAL 19.A N SER 31.A O no hydrogen 2.905 N/A LYS 21.A N THR 29.A O no hydrogen 2.988 N/A LYS 21.A NZ ASP 204.A OD2 no hydrogen 3.523 N/A ASP 23.A N THR 27.A O no hydrogen 3.079 N/A THR 25.A N ASP 23.A OD1 no hydrogen 3.154 N/A GLY 26.A N ASP 23.A O no hydrogen 2.679 N/A THR 27.A N ASP 23.A OD1 no hydrogen 2.747 N/A THR 29.A N LYS 21.A O no hydrogen 2.857 N/A THR 29.A OG1 LYS 21.A O no hydrogen 2.838 N/A LEU 30.A N ILE 207.A O no hydrogen 2.865 N/A SER 31.A N VAL 19.A O no hydrogen 2.785 N/A SER 31.A OG ASP 204.A OD1 no hydrogen 2.736 N/A VAL 32.A N ALA 205.A O no hydrogen 2.867 N/A GLY 34.A N GLY 203.A O no hydrogen 2.760 N/A MET 35.A N LEU 202.A O no hydrogen 3.110 N/A GLN 36.A NE2 GLN 161.A OE1 no hydrogen 3.204 N/A GLN 36.A NE2 THR 201.A OG1 no hydrogen 3.011 N/A ALA 37.A N HIS 200.A O no hydrogen 2.979 N/A ARG 38.A N GLN 7.A OE1 no hydrogen 2.933 N/A ARG 38.A NH2 ASP 197.A OD2 no hydrogen 3.124 N/A TYR 39.A N PHE 198.A O no hydrogen 2.775 N/A LEU 41.A N GLY 196.A O no hydrogen 2.687 N/A ARG 42.A N SER 40.A OG no hydrogen 3.165 N/A ARG 42.A NE GLU 157.A OE1 no hydrogen 2.786 N/A ARG 42.A NH1 SER 40.A OG no hydrogen 3.310 N/A ARG 42.A NH1 ASP 197.A OD1 no hydrogen 2.913 N/A ARG 42.A NH2 GLU 157.A OE1 no hydrogen 3.374 N/A ARG 42.A NH2 ASP 197.A OD2 no hydrogen 3.044 N/A PHE 45.A N PRO 227.A O no hydrogen 2.863 N/A LEU 47.A N PHE 45.A O no hydrogen 2.862 N/A THR 49.A N GLU 5.A OE1 no hydrogen 3.180 N/A THR 49.A N GLU 5.A OE2 no hydrogen 2.884 N/A THR 49.A OG1 GLU 5.A OE2 no hydrogen 2.805 N/A THR 49.A OG1 ARG 224.A O no hydrogen 3.262 N/A THR 50.A N GLU 5.A OE1 no hydrogen 2.798 N/A THR 50.A OG1 GLU 5.A OE1 no hydrogen 2.664 N/A LYS 51.A NZ GLY 170.A O no hydrogen 2.997 N/A VAL 53.A N TYR 251.A OH no hydrogen 2.920 N/A LYS 56.A NZ LYS 78.A O no hydrogen 2.566 N/A VAL 58.A N PHE 54.A O no hydrogen 3.236 N/A LEU 59.A N TRP 55.A O no hydrogen 2.944 N/A GLU 60.A N LYS 56.A O no hydrogen 2.885 N/A GLU 61.A N GLY 57.A O no hydrogen 2.881 N/A LEU 62.A N VAL 58.A O no hydrogen 3.044 N/A LEU 63.A N LEU 59.A O no hydrogen 3.071 N/A TRP 64.A N GLU 60.A O no hydrogen 3.102 N/A TRP 64.A NE1 ASN 71.A O no hydrogen 2.990 N/A PHE 65.A N GLU 61.A O no hydrogen 2.887 N/A ILE 66.A N LEU 62.A O no hydrogen 2.937 N/A LYS 67.A N LEU 63.A O no hydrogen 3.143 N/A LYS 67.A NZ LEU 63.A O no hydrogen 3.087 N/A GLY 68.A N PHE 65.A O no hydrogen 2.864 N/A SER 69.A OG GLU 74.A OE2 no hydrogen 2.433 N/A THR 70.A OG1 TYR 99.A OH no hydrogen 3.068 N/A ASN 71.A N SER 69.A OG no hydrogen 3.134 N/A ALA 72.A N GLY 82.A O no hydrogen 2.604 N/A LYS 73.A N ASN 71.A OD1 no hydrogen 2.791 N/A GLU 74.A N ASN 71.A O no hydrogen 3.252 N/A LEU 75.A N ALA 72.A O no hydrogen 2.958 N/A SER 76.A N ALA 72.A O no hydrogen 3.127 N/A SER 77.A N LYS 73.A O no hydrogen 3.090 N/A SER 77.A OG LYS 73.A O no hydrogen 3.319 N/A LYS 78.A N LEU 75.A O no hydrogen 3.178 N/A GLY 79.A N SER 76.A O no hydrogen 2.791 N/A LEU 84.A N THR 70.A O no hydrogen 2.963 N/A GLY 85.A N ASP 83.A OD1 no hydrogen 3.186 N/A VAL 87.A N GLY 85.A O no hydrogen 2.637 N/A GLN 91.A N VAL 87.A O no hydrogen 3.264 N/A GLN 91.A NE2 PRO 86.A O no hydrogen 2.891 N/A GLN 91.A NE2 TRP 134.A O no hydrogen 2.906 N/A TRP 92.A N TYR 88.A O no hydrogen 2.900 N/A ARG 93.A N GLY 89.A O no hydrogen 3.118 N/A ARG 93.A NE ASP 112.A OD1 no hydrogen 2.758 N/A ARG 93.A NE ASP 112.A OD2 no hydrogen 3.343 N/A ARG 93.A NH1 ILE 66.A O no hydrogen 2.679 N/A ARG 93.A NH1 ASP 239.A OD1 no hydrogen 2.857 N/A ARG 93.A NH1 ASP 239.A OD2 no hydrogen 3.547 N/A ARG 93.A NH2 ASP 112.A OD1 no hydrogen 3.507 N/A ARG 93.A NH2 ASP 112.A OD2 no hydrogen 2.784 N/A ARG 93.A NH2 ASP 239.A OD2 no hydrogen 3.263 N/A HIS 94.A N PHE 90.A O no hydrogen 2.720 N/A HIS 94.A ND1 GLN 109.A O no hydrogen 2.951 N/A PHE 95.A N VAL 111.A O no hydrogen 3.016 N/A ALA 97.A N HIS 94.A O no hydrogen 3.066 N/A TYR 99.A OH THR 70.A OG1 no hydrogen 3.068 N/A TYR 99.A OH ASP 83.A OD1 no hydrogen 2.393 N/A TYR 99.A OH ASP 83.A OD2 no hydrogen 3.144 N/A ARG 100.A N TYR 106.A OH no hydrogen 2.845 N/A ARG 100.A NH1 GLN 109.A OE1 no hydrogen 3.299 N/A ARG 100.A NH2 ASP 105.A O no hydrogen 3.247 N/A ASP 101.A N SER 104.A OG no hydrogen 2.787 N/A MET 102.A N ASP 83.A OD2 no hydrogen 3.311 N/A SER 104.A N ASP 101.A O no hydrogen 3.194 N/A SER 104.A OG ASP 101.A O no hydrogen 3.106 N/A TYR 106.A OH ASP 101.A O no hydrogen 2.538 N/A SER 107.A N ASP 105.A OD1 no hydrogen 3.131 N/A SER 107.A OG ASP 105.A OD1 no hydrogen 2.227 N/A GLN 109.A N TYR 106.A O no hydrogen 2.884 N/A VAL 111.A N PHE 95.A O no hydrogen 2.809 N/A GLN 113.A NE2 GLN 91.A O no hydrogen 3.008 N/A LEU 114.A N TRP 92.A O no hydrogen 3.251 N/A GLN 115.A N ASP 112.A OD1 no hydrogen 3.008 N/A GLN 115.A NE2 ASP 119.A OD1 no hydrogen 2.894 N/A ARG 116.A N ASP 112.A O no hydrogen 2.878 N/A VAL 117.A N GLN 113.A O no hydrogen 2.975 N/A ILE 118.A N LEU 114.A O no hydrogen 3.208 N/A ASP 119.A N GLN 115.A O no hydrogen 2.777 N/A THR 120.A N ARG 116.A O no hydrogen 2.772 N/A THR 120.A OG1 ARG 116.A O no hydrogen 2.670 N/A ILE 121.A N VAL 117.A O no hydrogen 2.959 N/A LYS 122.A N ILE 118.A O no hydrogen 3.072 N/A THR 123.A N ASP 119.A O no hydrogen 2.994 N/A THR 123.A N THR 120.A O no hydrogen 3.174 N/A THR 123.A OG1 ASP 119.A O no hydrogen 2.992 N/A THR 123.A OG1 THR 120.A O no hydrogen 3.430 N/A ASN 124.A N THR 120.A O no hydrogen 2.732 N/A ASP 127.A N ASN 124.A O no hydrogen 2.970 N/A ARG 129.A N ASP 127.A OD1 no hydrogen 2.757 N/A ARG 129.A NE ASP 127.A OD1 no hydrogen 3.010 N/A ARG 129.A NH2 ASP 127.A OD2 no hydrogen 2.921 N/A TRP 134.A N GLN 91.A OE1 no hydrogen 2.588 N/A TRP 134.A NE1 PRO 145.A O no hydrogen 2.800 N/A ARG 137.A N ASN 135.A OD1 no hydrogen 3.206 N/A ASP 138.A N ASN 135.A O no hydrogen 2.831 N/A LEU 139.A N PRO 136.A O no hydrogen 3.159 N/A LEU 141.A N ASP 138.A O no hydrogen 3.035 N/A HIS 147.A N ALA 133.A O no hydrogen 2.791 N/A ALA 148.A N ALA 133.A O no hydrogen 3.223 N/A LEU 149.A N TYR 163.A O no hydrogen 2.968 N/A PHE 151.A N ILE 130.A O no hydrogen 2.818 N/A TYR 152.A N SER 159.A O no hydrogen 3.003 N/A VAL 154.A N GLU 157.A O no hydrogen 3.097 N/A GLU 157.A N VAL 154.A O no hydrogen 2.786 N/A LEU 158.A N LYS 194.A O no hydrogen 2.815 N/A SER 159.A N TYR 152.A O no hydrogen 2.755 N/A CYS 160.A N ASP 197.A O no hydrogen 3.018 N/A GLN 161.A N GLN 150.A O no hydrogen 2.704 N/A LEU 162.A N ILE 199.A O no hydrogen 2.895 N/A TYR 163.A N LEU 149.A O no hydrogen 2.810 N/A GLN 164.A N THR 201.A O no hydrogen 2.993 N/A ARG 165.A N HIS 147.A O no hydrogen 3.060 N/A ARG 165.A NH1 ASP 138.A OD2 no hydrogen 2.595 N/A ARG 165.A NH2 ASP 138.A OD2 no hydrogen 3.292 N/A ARG 165.A NH2 PRO 146.A O no hydrogen 3.405 N/A GLY 167.A N ASP 204.A O no hydrogen 2.908 N/A MET 169.A N HIS 206.A O no hydrogen 2.892 N/A LEU 171.A N ASP 168.A OD1 no hydrogen 3.355 N/A VAL 173.A N ASP 168.A O no hydrogen 2.886 N/A ASN 176.A N GLY 172.A O no hydrogen 2.928 N/A ILE 177.A N VAL 173.A O no hydrogen 2.876 N/A ALA 178.A N PRO 174.A O no hydrogen 3.355 N/A SER 179.A N PHE 175.A O no hydrogen 2.927 N/A TYR 180.A N ASN 176.A O no hydrogen 2.950 N/A ALA 181.A N ILE 177.A O no hydrogen 3.016 N/A LEU 182.A N ALA 178.A O no hydrogen 2.904 N/A LEU 183.A N SER 179.A O no hydrogen 2.990 N/A THR 184.A N TYR 180.A O no hydrogen 2.980 N/A THR 184.A OG1 TYR 180.A O no hydrogen 2.823 N/A TYR 185.A N ALA 181.A O no hydrogen 3.034 N/A TYR 185.A OH LEU 41.A O no hydrogen 2.817 N/A TYR 185.A OH GLU 44.A O no hydrogen 2.938 N/A MET 186.A N LEU 182.A O no hydrogen 2.966 N/A ILE 187.A N LEU 183.A O no hydrogen 2.974 N/A ALA 188.A N THR 184.A O no hydrogen 2.865 N/A HIS 189.A N TYR 185.A O no hydrogen 2.906 N/A ILE 190.A N MET 186.A O no hydrogen 2.976 N/A THR 191.A N ILE 187.A O no hydrogen 2.972 N/A THR 191.A OG1 ILE 187.A O no hydrogen 2.723 N/A THR 191.A OG1 ALA 188.A O no hydrogen 3.369 N/A GLY 192.A N HIS 189.A O no hydrogen 3.444 N/A LEU 193.A N ALA 188.A O no hydrogen 2.896 N/A LYS 194.A N SER 156.A O no hydrogen 3.056 N/A GLY 196.A N LEU 158.A O no hydrogen 2.698 N/A ASP 197.A N SER 159.A OG no hydrogen 3.001 N/A PHE 198.A N TYR 39.A O no hydrogen 2.818 N/A ILE 199.A N CYS 160.A O no hydrogen 2.838 N/A HIS 200.A N ALA 37.A O no hydrogen 2.863 N/A HIS 200.A NE2 GLN 164.A OE1 no hydrogen 2.792 N/A THR 201.A N LEU 162.A O no hydrogen 2.827 N/A THR 201.A OG1 GLN 161.A OE1 no hydrogen 2.535 N/A LEU 202.A N MET 35.A O no hydrogen 2.895 N/A GLY 203.A N GLN 164.A O no hydrogen 2.983 N/A ASP 204.A N ARG 165.A O no hydrogen 2.965 N/A ALA 205.A N VAL 32.A O no hydrogen 2.785 N/A HIS 206.A N GLY 167.A O no hydrogen 3.084 N/A HIS 206.A ND1 ASP 204.A O no hydrogen 3.158 N/A ILE 207.A N LEU 30.A O no hydrogen 2.886 N/A TYR 208.A OH ASP 23.A OD2 no hydrogen 3.043 N/A LEU 209.A N GLY 28.A O no hydrogen 3.259 N/A ASN 210.A ND2 GLU 260.A O no hydrogen 3.396 N/A ASN 210.A ND2 GLU 260.A OE2 no hydrogen 2.897 N/A HIS 211.A N TYR 208.A O no hydrogen 2.887 N/A HIS 211.A NE2 GLU 260.A O no hydrogen 2.805 N/A ILE 212.A N LEU 209.A O no hydrogen 3.272 N/A LEU 215.A N HIS 211.A O no hydrogen 2.922 N/A LYS 216.A N ILE 212.A O no hydrogen 2.912 N/A ILE 217.A N GLU 213.A O no hydrogen 3.225 N/A GLN 218.A N PRO 214.A O no hydrogen 2.917 N/A GLN 218.A NE2 THR 50.A OG1 no hydrogen 2.790 N/A LEU 219.A N LEU 215.A O no hydrogen 2.950 N/A GLN 220.A N ILE 217.A O no hydrogen 2.970 N/A GLN 220.A NE2 LYS 216.A O no hydrogen 3.689 N/A ARG 221.A N GLN 218.A O no hydrogen 3.036 N/A ARG 221.A NH2 THR 50.A O no hydrogen 2.920 N/A ARG 221.A NH2 PRO 255.A O no hydrogen 2.930 N/A ARG 224.A N THR 49.A OG1 no hydrogen 2.939 N/A ARG 224.A NH2 ASN 252.A O no hydrogen 2.802 N/A LYS 228.A N GLU 249.A O no hydrogen 2.917 N/A ARG 230.A N GLN 247.A O no hydrogen 2.795 N/A ARG 230.A NE GLU 249.A OE1 no hydrogen 3.073 N/A LEU 232.A N ASP 245.A O no hydrogen 2.732 N/A ARG 233.A NE ASP 245.A OD1 no hydrogen 3.039 N/A ARG 233.A NH2 ASP 240.A O no hydrogen 3.158 N/A ARG 233.A NH2 ASP 245.A OD1 no hydrogen 3.374 N/A ARG 233.A NH2 ASP 245.A OD2 no hydrogen 2.713 N/A VAL 235.A N HIS 189.A NE2 no hydrogen 3.091 N/A ASP 240.A N LYS 237.A O no hydrogen 2.969 N/A LYS 242.A N ASP 245.A OD2 no hydrogen 2.844 N/A LYS 242.A NZ ASP 240.A O no hydrogen 3.449 N/A ASP 245.A N LYS 242.A O no hydrogen 2.852 N/A PHE 246.A N ALA 243.A O no hydrogen 3.272 N/A GLN 247.A N ARG 230.A O no hydrogen 2.895 N/A GLN 247.A NE2 GLU 249.A OE2 no hydrogen 2.995 N/A GLU 249.A N LYS 228.A O no hydrogen 2.833 N/A TYR 251.A OH LEU 48.A O no hydrogen 2.707 N/A HIS 254.A N THR 49.A O no hydrogen 2.781 N/A HIS 254.A NE2 GLU 222.A O no hydrogen 2.746 N/A