Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kdu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N THR 3.A O no hydrogen 3.382 N/A LYS 7.A N THR 3.A O no hydrogen 3.114 N/A SER 8.A N ALA 4.A O no hydrogen 3.027 N/A LEU 9.A N ASP 5.A O no hydrogen 3.375 N/A ALA 10.A N LEU 6.A O no hydrogen 2.867 N/A LYS 11.A N LYS 7.A O no hydrogen 3.353 N/A ARG 12.A N SER 8.A O no hydrogen 3.046 N/A ARG 12.A NH2 SER 8.A OG no hydrogen 2.684 N/A ILE 13.A N LEU 9.A O no hydrogen 3.102 N/A TYR 14.A N ALA 10.A O no hydrogen 2.923 N/A GLU 15.A N LYS 11.A O no hydrogen 2.739 N/A ALA 16.A N ARG 12.A O no hydrogen 3.148 N/A TYR 17.A N ILE 13.A O no hydrogen 3.036 N/A TYR 17.A OH ASP 169.A OD1 no hydrogen 2.526 N/A LEU 18.A N TYR 14.A O no hydrogen 2.961 N/A LYS 19.A N GLU 15.A O no hydrogen 2.946 N/A ASN 20.A N ALA 16.A O no hydrogen 3.111 N/A ASN 20.A ND2 ALA 16.A O no hydrogen 2.623 N/A PHE 21.A N TYR 17.A O no hydrogen 3.135 N/A ASN 22.A N GLU 83.A OE1 no hydrogen 3.007 N/A LYS 25.A N ASP 169.A OD1 no hydrogen 2.776 N/A LYS 25.A NZ LEU 167.A O no hydrogen 2.845 N/A VAL 26.A N ASP 169.A OD2 no hydrogen 3.063 N/A LYS 27.A N ASN 24.A OD1 no hydrogen 3.066 N/A LYS 27.A NZ.B ASN 22.A O no hydrogen 2.883 N/A ALA 28.A N ASN 24.A O no hydrogen 3.004 N/A ARG 29.A N LYS 25.A O no hydrogen 2.808 N/A ARG 29.A NE.A SER 120.A O no hydrogen 3.067 N/A ARG 29.A NH1.A MET 122.A O no hydrogen 3.546 N/A ARG 29.A NH2.A SER 120.A O no hydrogen 2.724 N/A ARG 29.A NH2.A MET 122.A O no hydrogen 2.818 N/A VAL 30.A N VAL 26.A O no hydrogen 3.022 N/A ILE 31.A N LYS 27.A O no hydrogen 3.146 N/A LEU 32.A N ALA 28.A O no hydrogen 2.816 N/A SER 33.A N ARG 29.A O no hydrogen 2.878 N/A SER 33.A OG ARG 29.A O no hydrogen 2.805 N/A SER 33.A OG VAL 30.A O no hydrogen 3.468 N/A GLY 34.A N ILE 31.A O no hydrogen 3.191 N/A LYS 35.A N VAL 30.A O no hydrogen 2.858 N/A SER 37.A OG ASN 38.A OD1 no hydrogen 2.774 N/A PHE 42.A N ASN 133.A O no hydrogen 3.041 N/A ILE 44.A N PHE 135.A O no hydrogen 2.671 N/A HIS 45.A N THR 49.A OG1 no hydrogen 2.897 N/A ASP 46.A N THR 49.A OG1 no hydrogen 3.046 N/A THR 49.A N ASP 46.A OD1 no hydrogen 2.827 N/A THR 49.A OG1 ASP 46.A O no hydrogen 3.023 N/A THR 49.A OG1 ASP 46.A OD1 no hydrogen 2.718 N/A LEU 50.A N ASP 46.A O no hydrogen 3.005 N/A CYS 51.A N MET 47.A O no hydrogen 3.144 N/A CYS 51.A SG MET 47.A O no hydrogen 3.230 N/A MET 52.A N GLU 48.A O no hydrogen 3.021 N/A ALA 53.A N THR 49.A O no hydrogen 2.887 N/A GLU 54.A N LEU 50.A O no hydrogen 2.857 N/A LYS 55.A N CYS 51.A O no hydrogen 3.116 N/A LYS 55.A NZ CYS 51.A O no hydrogen 3.440 N/A THR 56.A N MET 52.A O no hydrogen 2.966 N/A THR 56.A OG1 MET 52.A O no hydrogen 2.761 N/A LEU 57.A N ALA 53.A O no hydrogen 2.835 N/A LYS 63.A N ILE 60.A O no hydrogen 3.161 N/A GLU 66.A N GLU 66.A OE2 no hydrogen 2.668 N/A VAL 67.A N GLU 64.A O no hydrogen 2.969 N/A ARG 68.A N GLU 64.A O no hydrogen 3.040 N/A ARG 68.A NE GLU 54.A OE1 no hydrogen 3.339 N/A ARG 68.A NE GLU 54.A OE2 no hydrogen 2.606 N/A ARG 68.A NH1 LYS 63.A O no hydrogen 2.676 N/A ARG 68.A NH2 GLU 54.A OE1 no hydrogen 3.078 N/A ILE 69.A N ALA 65.A O no hydrogen 2.987 N/A PHE 70.A N GLU 66.A O no hydrogen 3.103 N/A HIS 71.A N VAL 67.A O no hydrogen 2.932 N/A CYS 72.A N ARG 68.A O no hydrogen 3.097 N/A CYS 72.A SG ARG 68.A O no hydrogen 3.257 N/A CYS 73.A N ILE 69.A O no hydrogen 2.862 N/A CYS 73.A SG ILE 69.A O no hydrogen 3.353 N/A GLN 74.A N PHE 70.A O no hydrogen 3.092 N/A GLN 74.A NE2 ALA 252.A O no hydrogen 2.885 N/A CYS 75.A N HIS 71.A O no hydrogen 3.021 N/A CYS 75.A SG HIS 71.A NE2.A no hydrogen 3.616 N/A CYS 75.A SG HIS 71.A O no hydrogen 3.453 N/A THR 76.A N CYS 72.A O no hydrogen 3.217 N/A THR 76.A OG1 CYS 72.A O no hydrogen 3.422 N/A SER 77.A N CYS 73.A O no hydrogen 2.977 N/A SER 77.A OG CYS 73.A O no hydrogen 3.486 N/A SER 77.A OG GLN 74.A O no hydrogen 3.390 N/A VAL 78.A N GLN 74.A O no hydrogen 3.013 N/A GLU 79.A N CYS 75.A O no hydrogen 3.272 N/A THR 80.A N THR 76.A O no hydrogen 3.027 N/A THR 80.A OG1 THR 76.A O no hydrogen 2.998 N/A VAL 81.A N SER 77.A O no hydrogen 2.858 N/A THR 82.A N VAL 78.A O no hydrogen 3.239 N/A THR 82.A OG1 VAL 78.A O no hydrogen 3.141 N/A GLU 83.A N GLU 79.A O no hydrogen 3.131 N/A LEU 84.A N THR 80.A O no hydrogen 2.864 N/A THR 85.A N VAL 81.A O no hydrogen 3.002 N/A THR 85.A OG1 VAL 81.A O no hydrogen 2.884 N/A GLU 86.A N THR 82.A O no hydrogen 3.217 N/A PHE 87.A N GLU 83.A O no hydrogen 2.959 N/A ALA 88.A N LEU 84.A O no hydrogen 2.804 N/A LYS 89.A N THR 85.A O no hydrogen 3.125 N/A LYS 89.A NZ GLU 86.A OE2 no hydrogen 3.490 N/A ALA 90.A N GLU 86.A O no hydrogen 3.227 N/A ALA 90.A N PHE 87.A O no hydrogen 3.013 N/A ILE 91.A N ALA 88.A O no hydrogen 2.865 N/A PHE 94.A N ILE 91.A O no hydrogen 2.958 N/A ASN 96.A N GLY 93.A O no hydrogen 3.185 N/A LEU 97.A N PHE 94.A O no hydrogen 3.211 N/A ASN 100.A N ASP 98.A OD2 no hydrogen 2.993 N/A GLN 102.A N ASP 98.A O no hydrogen 3.015 N/A GLN 102.A NE2 LEU 97.A O no hydrogen 3.123 N/A VAL 103.A N LEU 99.A O no hydrogen 3.386 N/A THR 104.A N ASN 100.A O no hydrogen 2.890 N/A THR 104.A OG1 ASN 100.A O no hydrogen 3.044 N/A LEU 105.A N ASP 101.A O no hydrogen 2.797 N/A LEU 106.A N GLN 102.A O no hydrogen 3.231 N/A LYS 107.A N VAL 103.A O no hydrogen 2.781 N/A LYS 107.A NZ ILE 260.A O no hydrogen 2.655 N/A LYS 107.A NZ ARG 262.A O no hydrogen 2.649 N/A TYR 108.A N THR 104.A O no hydrogen 3.065 N/A GLY 109.A N LEU 106.A O no hydrogen 3.138 N/A VAL 110.A N LEU 106.A O no hydrogen 2.922 N/A ALA 113.A N GLY 109.A O no hydrogen 3.040 N/A ILE 114.A N VAL 110.A O no hydrogen 2.669 N/A PHE 115.A N TYR 111.A O no hydrogen 3.019 N/A ALA 116.A N GLU 112.A O no hydrogen 3.102 N/A MET 117.A N ALA 113.A O no hydrogen 2.986 N/A LEU 118.A N ILE 114.A O no hydrogen 2.733 N/A SER 119.A N PHE 115.A O no hydrogen 3.418 N/A SER 119.A OG PHE 115.A O no hydrogen 3.211 N/A SER 119.A OG ALA 116.A O no hydrogen 3.519 N/A SER 120.A N MET 117.A O no hydrogen 3.088 N/A SER 120.A OG MET 117.A O no hydrogen 3.255 N/A VAL 121.A N LEU 118.A O no hydrogen 2.912 N/A MET 122.A N SER 119.A O no hydrogen 3.094 N/A ASN 123.A N GLY 126.A O no hydrogen 2.907 N/A LYS 124.A NZ ASP 125.A OD1 no hydrogen 2.874 N/A LYS 124.A NZ ASP 125.A OD2 no hydrogen 3.387 N/A ASP 125.A N ASN 123.A OD1 no hydrogen 2.902 N/A GLY 126.A N ASN 123.A O no hydrogen 3.394 N/A GLY 126.A N ASN 123.A OD1 no hydrogen 3.075 N/A MET 127.A N ILE 136.A O no hydrogen 2.990 N/A LEU 128.A N VAL 121.A O no hydrogen 2.964 N/A VAL 129.A N GLY 134.A O no hydrogen 2.919 N/A TYR 131.A OH GLU 79.A OE1 no hydrogen 2.587 N/A GLY 132.A N VAL 129.A O no hydrogen 3.093 N/A ASN 133.A N ALA 130.A O no hydrogen 3.003 N/A GLY 134.A N VAL 129.A O no hydrogen 3.040 N/A PHE 135.A N PHE 42.A O no hydrogen 2.814 N/A ILE 136.A N MET 127.A O no hydrogen 2.915 N/A THR 137.A N ILE 44.A O no hydrogen 2.951 N/A ARG 138.A N ASP 125.A O no hydrogen 2.862 N/A ARG 138.A NE GLU 153.A OE1 no hydrogen 3.080 N/A ARG 138.A NE GLU 153.A OE2 no hydrogen 3.266 N/A ARG 138.A NH1 LYS 124.A O no hydrogen 3.342 N/A ARG 138.A NH2 GLU 153.A OE2 no hydrogen 2.728 N/A PHE 140.A N THR 137.A OG1 no hydrogen 2.953 N/A LEU 141.A N THR 137.A O no hydrogen 3.276 N/A LYS 142.A N ARG 138.A O no hydrogen 3.094 N/A SER 143.A N PHE 140.A O no hydrogen 3.093 N/A SER 143.A OG PHE 140.A O no hydrogen 2.707 N/A LEU 144.A N LEU 141.A O no hydrogen 3.352 N/A ARG 145.A N GLU 66.A OE1 no hydrogen 3.010 N/A ARG 145.A NE GLU 64.A OE1 no hydrogen 2.816 N/A ARG 145.A NE GLU 64.A OE2 no hydrogen 3.391 N/A ARG 145.A NH1 LYS 146.A O no hydrogen 2.993 N/A ARG 145.A NH1 GLU 248.A OE1 no hydrogen 3.392 N/A ARG 145.A NH1 GLU 248.A OE2 no hydrogen 2.759 N/A ARG 145.A NH2 GLU 64.A OE2 no hydrogen 2.779 N/A ARG 145.A NH2 GLU 248.A OE1 no hydrogen 2.585 N/A PHE 148.A N ARG 145.A O no hydrogen 2.924 N/A CYS 149.A N ARG 145.A O no hydrogen 3.350 N/A CYS 149.A SG ASP 150.A OD2 no hydrogen 3.823 N/A ASP 150.A N PRO 147.A O no hydrogen 3.113 N/A ILE 151.A N PHE 148.A O no hydrogen 3.483 N/A LYS 155.A N MET 152.A O no hydrogen 2.830 N/A LYS 155.A NZ ILE 151.A O no hydrogen 2.792 N/A LYS 155.A NZ HIS 237.A ND1 no hydrogen 2.927 N/A PHE 156.A N MET 152.A O no hydrogen 3.016 N/A ASP 157.A N GLU 153.A O no hydrogen 2.917 N/A PHE 158.A N PRO 154.A O no hydrogen 3.101 N/A ALA 159.A N LYS 155.A O no hydrogen 2.841 N/A MET 160.A N PHE 156.A O no hydrogen 3.056 N/A PHE 162.A N PHE 158.A O no hydrogen 2.813 N/A ASN 163.A N ALA 159.A O no hydrogen 2.663 N/A ASN 163.A ND2 SER 119.A O no hydrogen 2.982 N/A ALA 164.A N MET 160.A O no hydrogen 3.137 N/A LEU 165.A N PHE 162.A O no hydrogen 3.170 N/A GLU 166.A N ASN 163.A O no hydrogen 3.062 N/A ASP 168.A N ASP 171.A OD2 no hydrogen 2.945 N/A SER 170.A OG ASP 168.A OD1 no hydrogen 2.515 N/A SER 170.A OG HIS 208.A NE2 no hydrogen 2.757 N/A ASP 171.A N ASP 168.A OD1 no hydrogen 3.027 N/A ILE 172.A N ASP 168.A O no hydrogen 2.977 N/A SER 173.A N ASP 169.A O no hydrogen 2.870 N/A SER 173.A OG ASP 169.A O no hydrogen 3.371 N/A SER 173.A OG SER 170.A O no hydrogen 2.930 N/A PHE 175.A N ASP 171.A O no hydrogen 3.048 N/A VAL 176.A N ILE 172.A O no hydrogen 2.873 N/A ALA 177.A N SER 173.A O no hydrogen 3.085 N/A ALA 178.A N LEU 174.A O no hydrogen 2.932 N/A ILE 179.A N PHE 175.A O no hydrogen 2.890 N/A ILE 180.A N VAL 176.A O no hydrogen 3.095 N/A CYS 181.A N ALA 177.A O no hydrogen 3.119 N/A CYS 181.A SG ALA 177.A O no hydrogen 3.576 N/A GLY 183.A N GLN 198.A OE1 no hydrogen 3.339 N/A ARG 185.A NH1 GLU 112.A OE2 no hydrogen 2.748 N/A ARG 185.A NH2 GLU 112.A OE1 no hydrogen 2.838 N/A ARG 185.A NH2 ILE 179.A O no hydrogen 3.044 N/A LEU 189.A N ASP 101.A OD1 no hydrogen 2.762 N/A ASN 190.A N ASP 101.A OD2 no hydrogen 2.831 N/A HIS 193.A N ASN 190.A OD1 no hydrogen 3.322 N/A ILE 194.A N ASN 190.A O no hydrogen 3.493 N/A GLU 195.A N VAL 191.A O no hydrogen 2.762 N/A LYS 196.A N GLY 192.A O no hydrogen 3.062 N/A MET 197.A N HIS 193.A O no hydrogen 3.123 N/A GLN 198.A N ILE 194.A O no hydrogen 2.782 N/A GLN 198.A NE2 ALA 178.A O no hydrogen 3.412 N/A GLU 199.A N GLU 195.A O no hydrogen 2.841 N/A GLY 200.A N LYS 196.A O no hydrogen 3.182 N/A ILE 201.A N MET 197.A O no hydrogen 3.208 N/A VAL 202.A N GLN 198.A O no hydrogen 2.848 N/A HIS 203.A N GLU 199.A O no hydrogen 3.068 N/A VAL 204.A N GLY 200.A O no hydrogen 3.079 N/A LEU 205.A N ILE 201.A O no hydrogen 2.918 N/A ARG 206.A N VAL 202.A O no hydrogen 3.007 N/A ARG 206.A NH1 HIS 203.A ND1 no hydrogen 3.473 N/A LEU 207.A N HIS 203.A O no hydrogen 3.159 N/A HIS 208.A N VAL 204.A O no hydrogen 2.867 N/A HIS 208.A NE2 SER 170.A OG no hydrogen 2.757 N/A LEU 209.A N LEU 205.A O no hydrogen 2.983 N/A GLN 210.A N ARG 206.A O no hydrogen 3.007 N/A SER 211.A N LEU 207.A O no hydrogen 3.057 N/A SER 211.A OG.A LEU 207.A O no hydrogen 3.383 N/A SER 211.A OG.B HIS 208.A O no hydrogen 2.939 N/A ASN 212.A N HIS 208.A O no hydrogen 2.781 N/A ASN 212.A ND2 ASP 168.A OD2 no hydrogen 2.743 N/A ASN 212.A ND2 ASP 171.A OD1 no hydrogen 3.067 N/A HIS 213.A N LEU 209.A O no hydrogen 2.802 N/A HIS 213.A NE2 ASP 171.A OD2 no hydrogen 2.580 N/A ASP 216.A N HIS 213.A O no hydrogen 3.152 N/A PHE 218.A N ASP 216.A OD1 no hydrogen 3.249 N/A LEU 219.A N ASP 216.A O no hydrogen 3.309 N/A LYS 222.A N PHE 218.A O no hydrogen 3.337 N/A LYS 222.A NZ ASP 216.A OD2 no hydrogen 2.780 N/A LEU 223.A N LEU 219.A O no hydrogen 2.851 N/A LEU 224.A N PHE 220.A O no hydrogen 2.995 N/A GLN 225.A N PRO 221.A O no hydrogen 3.213 N/A LYS 226.A N LYS 222.A O no hydrogen 3.176 N/A LYS 226.A NZ LYS 161.A O no hydrogen 3.124 N/A MET 227.A N LEU 223.A O no hydrogen 2.936 N/A ALA 228.A N LEU 224.A O no hydrogen 3.256 N/A ASP 229.A N GLN 225.A O no hydrogen 2.895 N/A LEU 230.A N LYS 226.A O no hydrogen 2.839 N/A ARG 231.A N MET 227.A O no hydrogen 3.355 N/A GLN 232.A N ALA 228.A O no hydrogen 3.408 N/A LEU 233.A N ASP 229.A O no hydrogen 2.994 N/A VAL 234.A N LEU 230.A O no hydrogen 3.002 N/A THR 235.A N ARG 231.A O no hydrogen 2.910 N/A THR 235.A OG1 ARG 231.A O no hydrogen 2.979 N/A GLU 236.A N GLN 232.A O no hydrogen 2.914 N/A HIS 237.A N LEU 233.A O no hydrogen 2.919 N/A ALA 238.A N VAL 234.A O no hydrogen 2.943 N/A GLN 239.A N THR 235.A O no hydrogen 3.238 N/A LEU 240.A N GLU 236.A O no hydrogen 3.029 N/A VAL 241.A N HIS 237.A O no hydrogen 2.975 N/A GLN 242.A N ALA 238.A O no hydrogen 3.074 N/A ILE 243.A N GLN 239.A O no hydrogen 3.005 N/A ILE 244.A N LEU 240.A O no hydrogen 3.089 N/A LYS 245.A N VAL 241.A O no hydrogen 3.013 N/A LYS 246.A N GLN 242.A O no hydrogen 2.945 N/A LYS 246.A N ILE 243.A O no hydrogen 3.147 N/A THR 247.A OG1 ILE 243.A O no hydrogen 2.582 N/A GLU 248.A N ILE 244.A O no hydrogen 2.955 N/A HIS 254.A N GLN 74.A OE1 no hydrogen 2.621 N/A LEU 256.A N HIS 254.A ND1 no hydrogen 3.088 N/A GLN 258.A N HIS 254.A O no hydrogen 2.921 N/A GLN 258.A NE2 LEU 253.A O no hydrogen 2.774 N/A GLU 259.A N PRO 255.A O no hydrogen 3.192 N/A ILE 260.A N LEU 256.A O no hydrogen 3.065 N/A TYR 261.A N LEU 257.A O no hydrogen 2.948 N/A ARG 262.A N GLU 259.A O no hydrogen 3.254 N/A TYR 265.A N TYR 108.A OH no hydrogen 3.478 N/A