Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kmr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N PRO 1.A O no hydrogen 3.178 N/A LEU 6.A N GLU 2.A O no hydrogen 3.259 N/A ILE 7.A N VAL 3.A O no hydrogen 3.020 N/A GLU 8.A N GLY 4.A O no hydrogen 3.098 N/A LYS 9.A N GLU 5.A O no hydrogen 2.935 N/A LYS 9.A NZ GLU 5.A O no hydrogen 3.356 N/A VAL 10.A N LEU 6.A O no hydrogen 3.070 N/A ARG 11.A N ILE 7.A O no hydrogen 2.813 N/A ARG 11.A NH1 GLU 8.A OE1 no hydrogen 2.605 N/A ARG 11.A NH2 TYR 181.A OH no hydrogen 3.076 N/A LYS 12.A N GLU 8.A O no hydrogen 3.005 N/A ALA 13.A N LYS 9.A O no hydrogen 2.940 N/A HIS 14.A N VAL 10.A O no hydrogen 3.032 N/A GLN 15.A N ARG 11.A O no hydrogen 2.890 N/A GLU 16.A N LYS 12.A O no hydrogen 2.874 N/A THR 17.A N HIS 14.A O no hydrogen 2.994 N/A THR 17.A OG1 ALA 13.A O no hydrogen 2.920 N/A THR 17.A OG1 HIS 14.A O no hydrogen 3.239 N/A PHE 18.A N GLN 15.A O no hydrogen 3.440 N/A ALA 20.A N GLN 23.A OE1 no hydrogen 2.904 N/A GLN 23.A N ALA 20.A O no hydrogen 2.986 N/A LEU 24.A N LEU 21.A O no hydrogen 3.141 N/A LYS 26.A NZ THR 97.A OG1 no hydrogen 3.421 N/A TYR 27.A N GLY 108.A O no hydrogen 2.948 N/A TYR 27.A OH ASP 107.A OD2 no hydrogen 2.622 N/A ASN 31.A N THR 29.A OG1 no hydrogen 3.252 N/A SER 32.A OG ASP 40.A OD1 no hydrogen 2.968 N/A SER 32.A OG ASN 118.A OD1 no hydrogen 2.849 N/A SER 33.A N ASN 30.A O no hydrogen 3.272 N/A SER 38.A OG GLU 220.A OE1 no hydrogen 2.737 N/A ASP 40.A N ASN 118.A O no hydrogen 2.757 N/A LEU 43.A N ASP 40.A OD2 no hydrogen 2.912 N/A TRP 44.A N ASP 40.A O no hydrogen 2.799 N/A ASP 45.A N ILE 41.A O no hydrogen 2.772 N/A LYS 46.A N ASP 42.A O no hydrogen 3.163 N/A LYS 46.A NZ ASN 31.A OD1 no hydrogen 2.831 N/A PHE 47.A N LEU 43.A O no hydrogen 2.824 N/A SER 48.A N TRP 44.A O no hydrogen 2.814 N/A SER 48.A OG TRP 44.A O no hydrogen 3.020 N/A SER 48.A OG ASP 45.A O no hydrogen 3.262 N/A GLU 49.A N ASP 45.A O no hydrogen 3.245 N/A LEU 50.A N LYS 46.A O no hydrogen 2.971 N/A SER 51.A N PHE 47.A O no hydrogen 2.861 N/A SER 51.A OG PHE 47.A O no hydrogen 2.884 N/A THR 52.A N SER 48.A O no hydrogen 2.982 N/A THR 52.A OG1 SER 48.A O no hydrogen 3.124 N/A LYS 53.A N GLU 49.A O no hydrogen 3.136 N/A LYS 53.A NZ GLU 49.A OE2 no hydrogen 2.129 N/A CYS 54.A N LEU 50.A O no hydrogen 2.911 N/A ILE 55.A N SER 51.A O no hydrogen 2.900 N/A ILE 56.A N THR 52.A O no hydrogen 3.169 N/A LYS 57.A N LYS 53.A O no hydrogen 3.181 N/A LYS 57.A NZ GLU 60.A OE1 no hydrogen 3.306 N/A THR 58.A N CYS 54.A O no hydrogen 2.880 N/A THR 58.A OG1 CYS 54.A O no hydrogen 2.963 N/A VAL 59.A N ILE 55.A O no hydrogen 3.006 N/A GLU 60.A N ILE 56.A O no hydrogen 3.098 N/A PHE 61.A N LYS 57.A O no hydrogen 2.877 N/A ALA 62.A N THR 58.A O no hydrogen 2.903 N/A LYS 63.A N VAL 59.A O no hydrogen 3.002 N/A GLN 64.A N PHE 61.A O no hydrogen 2.946 N/A LEU 65.A N ALA 62.A O no hydrogen 3.050 N/A PHE 68.A N LEU 65.A O no hydrogen 3.053 N/A THR 70.A N GLY 67.A O no hydrogen 3.013 N/A THR 70.A OG1 GLY 67.A O no hydrogen 2.527 N/A LEU 71.A N PHE 68.A O no hydrogen 3.220 N/A THR 72.A OG1 GLU 162.A OE2 no hydrogen 2.830 N/A ASP 75.A N THR 72.A OG1 no hydrogen 3.122 N/A GLN 76.A N THR 72.A O no hydrogen 2.913 N/A GLN 76.A NE2 LEU 71.A O no hydrogen 2.911 N/A ILE 77.A N ILE 73.A O no hydrogen 2.995 N/A THR 78.A N ALA 74.A O no hydrogen 2.971 N/A THR 78.A OG1 ALA 74.A O no hydrogen 3.031 N/A LEU 79.A N ASP 75.A O no hydrogen 2.868 N/A LEU 80.A N GLN 76.A O no hydrogen 2.987 N/A LYS 81.A N ILE 77.A O no hydrogen 2.966 N/A LYS 81.A NZ GLU 231.A O no hydrogen 3.078 N/A LYS 81.A NZ MET 232.A O no hydrogen 3.093 N/A LYS 81.A NZ GLU 234.A O no hydrogen 2.863 N/A ALA 82.A N THR 78.A O no hydrogen 3.082 N/A ALA 83.A N LEU 79.A O no hydrogen 3.012 N/A ILE 87.A N ALA 83.A O no hydrogen 2.931 N/A LEU 88.A N CYS 84.A O no hydrogen 2.996 N/A ILE 89.A N LEU 85.A O no hydrogen 2.841 N/A LEU 90.A N ASP 86.A O no hydrogen 2.965 N/A ARG 91.A N ILE 87.A O no hydrogen 2.899 N/A ARG 91.A NH1 THR 17.A O no hydrogen 2.906 N/A ARG 91.A NH2 THR 17.A OG1 no hydrogen 2.838 N/A ILE 92.A N LEU 88.A O no hydrogen 3.003 N/A CYS 93.A N ILE 89.A O no hydrogen 3.072 N/A CYS 93.A SG ILE 89.A O no hydrogen 3.298 N/A CYS 93.A SG VAL 128.A O no hydrogen 3.511 N/A THR 94.A N LEU 90.A O no hydrogen 3.007 N/A THR 94.A N ARG 91.A O no hydrogen 3.260 N/A THR 94.A OG1 LEU 90.A O no hydrogen 2.786 N/A ARG 95.A N ILE 92.A O no hydrogen 2.990 N/A ARG 95.A NE PRO 19.A O no hydrogen 2.833 N/A ARG 95.A NH1 THR 104.A O no hydrogen 3.017 N/A ARG 95.A NH2 PRO 19.A O no hydrogen 2.885 N/A ARG 95.A NH2 SER 106.A OG no hydrogen 2.962 N/A TYR 96.A OH ASP 101.A OD1 no hydrogen 2.723 N/A THR 97.A N THR 102.A O no hydrogen 2.803 N/A ASP 101.A N PRO 98.A O no hydrogen 2.982 N/A THR 102.A N THR 97.A O no hydrogen 3.115 N/A MET 103.A N LEU 111.A O no hydrogen 3.039 N/A THR 104.A N ARG 95.A O no hydrogen 3.082 N/A THR 104.A OG1 THR 110.A OG1 no hydrogen 2.814 N/A PHE 105.A N LEU 109.A O no hydrogen 2.759 N/A GLY 108.A N PHE 105.A O no hydrogen 2.905 N/A LEU 109.A N ASP 107.A OD1 no hydrogen 2.858 N/A THR 110.A N TYR 27.A O no hydrogen 2.819 N/A THR 110.A OG1 THR 104.A OG1 no hydrogen 2.814 N/A THR 110.A OG1 GLY 108.A O no hydrogen 2.976 N/A LEU 111.A N MET 103.A O no hydrogen 2.987 N/A ASN 112.A ND2 SER 33.A O no hydrogen 3.051 N/A ARG 113.A NE ASP 101.A OD2 no hydrogen 2.780 N/A ARG 113.A NH1 ASP 126.A OD2 no hydrogen 2.899 N/A ARG 113.A NH2 ASP 101.A OD1 no hydrogen 3.151 N/A GLN 115.A N ASN 112.A OD1 no hydrogen 2.783 N/A MET 116.A N ASN 112.A O no hydrogen 2.860 N/A HIS 117.A N ARG 113.A O no hydrogen 2.966 N/A ASN 118.A N THR 114.A O no hydrogen 2.925 N/A ASN 118.A ND2 HIS 117.A ND1 no hydrogen 3.003 N/A ALA 119.A N GLN 115.A O no hydrogen 2.751 N/A ALA 119.A N MET 116.A O no hydrogen 3.269 N/A GLY 120.A N HIS 117.A O no hydrogen 3.377 N/A PHE 121.A N MET 116.A O no hydrogen 3.265 N/A GLY 122.A N HIS 117.A O no hydrogen 3.232 N/A LEU 124.A N PHE 121.A O no hydrogen 2.861 N/A THR 125.A N GLY 122.A O no hydrogen 3.140 N/A THR 125.A OG1 GLY 122.A O no hydrogen 2.736 N/A VAL 128.A N LEU 124.A O no hydrogen 3.040 N/A PHE 129.A N THR 125.A O no hydrogen 2.937 N/A ALA 130.A N ASP 126.A O no hydrogen 2.832 N/A PHE 131.A N LEU 127.A O no hydrogen 2.921 N/A ALA 132.A N VAL 128.A O no hydrogen 2.952 N/A ASN 133.A N PHE 129.A O no hydrogen 2.968 N/A ASN 133.A ND2 TYR 96.A OH no hydrogen 3.090 N/A ASN 133.A ND2 PHE 129.A O no hydrogen 3.080 N/A GLN 134.A N ALA 130.A O no hydrogen 3.070 N/A GLN 134.A N PHE 131.A O no hydrogen 3.180 N/A LEU 135.A N PHE 131.A O no hydrogen 2.883 N/A LEU 135.A N ALA 132.A O no hydrogen 3.163 N/A LEU 136.A N ALA 132.A O no hydrogen 2.984 N/A LEU 138.A N LEU 135.A O no hydrogen 2.992 N/A GLU 139.A N LEU 136.A O no hydrogen 3.091 N/A ASP 141.A N GLU 144.A OE2 no hydrogen 3.112 N/A GLU 144.A N ASP 141.A OD1 no hydrogen 2.998 N/A THR 145.A N ASP 141.A O no hydrogen 2.898 N/A THR 145.A OG1 ASP 141.A O no hydrogen 3.379 N/A GLY 146.A N ASP 142.A O no hydrogen 2.839 N/A LEU 147.A N ALA 143.A O no hydrogen 2.859 N/A LEU 148.A N GLU 144.A O no hydrogen 2.970 N/A SER 149.A N THR 145.A O no hydrogen 2.983 N/A SER 149.A OG THR 145.A O no hydrogen 2.981 N/A ALA 150.A N GLY 146.A O no hydrogen 2.949 N/A ILE 151.A N LEU 147.A O no hydrogen 2.841 N/A CYS 152.A N LEU 148.A O no hydrogen 2.947 N/A CYS 152.A SG.A LEU 148.A O no hydrogen 3.279 N/A LEU 153.A N SER 149.A O no hydrogen 2.979 N/A ILE 154.A N ALA 150.A O no hydrogen 2.872 N/A CYS 155.A SG ASP 157.A OD1 no hydrogen 2.981 N/A ARG 158.A NH2 CYS 152.A O no hydrogen 3.086 N/A GLU 162.A N ASP 75.A OD2 no hydrogen 2.773 N/A GLN 163.A N ASP 75.A OD1 no hydrogen 2.901 N/A ARG 166.A NH1 GLN 163.A OE1 no hydrogen 2.678 N/A VAL 167.A N GLN 163.A O no hydrogen 3.278 N/A ASP 168.A N PRO 164.A O no hydrogen 2.959 N/A MET 169.A N ASP 165.A O no hydrogen 2.909 N/A LEU 170.A N ARG 166.A O no hydrogen 3.044 N/A GLN 171.A N VAL 167.A O no hydrogen 3.003 N/A GLN 171.A NE2 ILE 151.A O no hydrogen 3.122 N/A GLU 172.A N ASP 168.A O no hydrogen 3.194 N/A LEU 174.A N GLN 171.A O no hydrogen 2.932 N/A LEU 175.A N GLN 171.A O no hydrogen 3.185 N/A GLU 176.A N GLU 172.A O no hydrogen 3.110 N/A ALA 177.A N PRO 173.A O no hydrogen 2.885 N/A LEU 178.A N LEU 174.A O no hydrogen 2.931 N/A LYS 179.A N LEU 175.A O no hydrogen 3.065 N/A VAL 180.A N GLU 176.A O no hydrogen 3.076 N/A TYR 181.A N ALA 177.A O no hydrogen 3.080 N/A TYR 181.A OH ASP 141.A OD2 no hydrogen 2.649 N/A VAL 182.A N LEU 178.A O no hydrogen 2.953 N/A ARG 183.A N LYS 179.A O no hydrogen 3.409 N/A ARG 183.A NH2 PRO 190.A O no hydrogen 3.485 N/A LYS 184.A N VAL 180.A O no hydrogen 3.278 N/A ARG 185.A N TYR 181.A O no hydrogen 3.036 N/A ARG 185.A NH1 GLU 139.A O no hydrogen 3.374 N/A ARG 185.A NH1 GLU 144.A OE1 no hydrogen 3.285 N/A ARG 186.A N VAL 182.A O no hydrogen 2.907 N/A ARG 186.A NH1 GLU 144.A OE1 no hydrogen 2.780 N/A ARG 186.A NH2 GLU 139.A O no hydrogen 2.935 N/A ARG 186.A NH2 GLU 144.A OE2 no hydrogen 2.933 N/A ARG 189.A N ARG 186.A O no hydrogen 3.386 N/A ARG 189.A NE HIS 191.A NE2 no hydrogen 3.547 N/A MET 196.A N MET 192.A O no hydrogen 2.840 N/A LEU 197.A N PHE 193.A O no hydrogen 3.052 N/A MET 198.A N PRO 194.A O no hydrogen 3.105 N/A LYS 199.A N MET 196.A O no hydrogen 3.102 N/A LYS 199.A NZ GLN 134.A O no hydrogen 3.370 N/A ILE 200.A N LEU 197.A O no hydrogen 3.034 N/A ASP 202.A N MET 198.A O no hydrogen 2.912 N/A LEU 203.A N LYS 199.A O no hydrogen 2.747 N/A ARG 204.A N ILE 200.A O no hydrogen 2.838 N/A SER 205.A N THR 201.A O no hydrogen 3.134 N/A ILE 206.A N ASP 202.A O no hydrogen 2.972 N/A SER 207.A N LEU 203.A O no hydrogen 2.748 N/A SER 207.A OG ASP 86.A OD1 no hydrogen 3.066 N/A SER 207.A OG ASP 86.A OD2 no hydrogen 2.942 N/A SER 207.A OG LEU 203.A O no hydrogen 3.198 N/A SER 207.A OG ARG 204.A O no hydrogen 3.087 N/A ALA 208.A N ARG 204.A O no hydrogen 2.966 N/A LYS 209.A N SER 205.A O no hydrogen 3.285 N/A GLY 210.A N ILE 206.A O no hydrogen 2.761 N/A ALA 211.A N SER 207.A O no hydrogen 2.903 N/A GLU 212.A N ALA 208.A O no hydrogen 3.302 N/A ARG 213.A N LYS 209.A O no hydrogen 2.897 N/A ARG 213.A NE GLY 120.A O no hydrogen 2.808 N/A ARG 213.A NH1 THR 216.A OG1 no hydrogen 3.209 N/A ARG 213.A NH1 GLU 220.A OE2 no hydrogen 3.475 N/A ARG 213.A NH2 GLY 120.A O no hydrogen 3.399 N/A ARG 213.A NH2 GLU 220.A OE2 no hydrogen 3.278 N/A VAL 214.A N GLY 210.A O no hydrogen 2.888 N/A ILE 215.A N ALA 211.A O no hydrogen 3.473 N/A THR 216.A N GLU 212.A O no hydrogen 3.302 N/A THR 216.A OG1 ARG 213.A O no hydrogen 3.282 N/A LEU 217.A N ARG 213.A O no hydrogen 2.863 N/A LYS 218.A N VAL 214.A O no hydrogen 3.147 N/A GLU 220.A N LEU 217.A O no hydrogen 2.852 N/A ILE 221.A N LEU 217.A O no hydrogen 2.901 N/A GLN 230.A N PRO 226.A O no hydrogen 2.979 N/A GLN 230.A NE2 MET 225.A O no hydrogen 3.045 N/A GLU 231.A N PRO 227.A O no hydrogen 2.961 N/A MET 232.A N LEU 228.A O no hydrogen 2.993 N/A LEU 233.A N ILE 229.A O no hydrogen 2.835 N/A GLU 234.A N GLN 230.A O no hydrogen 2.929 N/A