Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1oe4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG CYS 49.A O no hydrogen 3.470 N/A ALA 4.A N SER 2.A OG no hydrogen 3.224 N/A PHE 7.A N PRO 3.A O no hydrogen 2.790 N/A LEU 8.A N ALA 4.A O no hydrogen 2.961 N/A LYS 9.A N ASP 5.A O no hydrogen 3.084 N/A VAL 10.A N SER 6.A O no hydrogen 3.130 N/A GLU 11.A N PHE 7.A O no hydrogen 3.096 N/A LEU 12.A N LEU 8.A O no hydrogen 2.829 N/A GLU 13.A N LYS 9.A O no hydrogen 3.004 N/A LEU 14.A N VAL 10.A O no hydrogen 2.988 N/A ASN 15.A N GLU 11.A O no hydrogen 2.940 N/A ASN 15.A ND2 LEU 34.A O no hydrogen 3.290 N/A LEU 16.A N LEU 12.A O no hydrogen 3.166 N/A LYS 17.A N GLU 13.A O no hydrogen 3.227 N/A LYS 17.A NZ GLU 13.A OE2 no hydrogen 3.155 N/A LEU 18.A N LEU 14.A O no hydrogen 2.910 N/A SER 19.A N ASN 15.A O no hydrogen 2.852 N/A SER 19.A OG LEU 16.A O no hydrogen 2.659 N/A LEU 21.A N LEU 18.A O no hydrogen 2.987 N/A GLN 24.A N GLN 162.A OE1 no hydrogen 3.058 N/A VAL 27.A N GLN 24.A O no hydrogen 2.983 N/A GLN 28.A N MET 146.A O no hydrogen 2.975 N/A TYR 29.A N MET 146.A O no hydrogen 3.160 N/A TYR 31.A N ILE 144.A O no hydrogen 2.900 N/A TYR 31.A OH ARG 100.A O no hydrogen 2.701 N/A ASN 32.A ND2 ASN 15.A OD1 no hydrogen 3.098 N/A LEU 34.A N ASN 32.A OD1 no hydrogen 2.955 N/A VAL 35.A N ASN 32.A O no hydrogen 2.910 N/A TYR 36.A N ASN 32.A O no hydrogen 3.438 N/A TYR 36.A OH ALA 68.A O no hydrogen 2.615 N/A ALA 37.A N PRO 33.A O no hydrogen 2.804 N/A TRP 38.A N VAL 35.A O no hydrogen 3.385 N/A HIS 41.A N ALA 37.A O no hydrogen 3.320 N/A GLU 42.A N TRP 38.A O no hydrogen 2.787 N/A ASN 43.A N ALA 39.A O no hydrogen 3.029 N/A ASN 43.A ND2.A GLU 87.A O no hydrogen 2.988 N/A TYR 44.A N PRO 40.A O no hydrogen 2.956 N/A TYR 44.A OH VAL 137.A O no hydrogen 2.760 N/A VAL 45.A N HIS 41.A O no hydrogen 2.976 N/A GLN 46.A N GLU 42.A O no hydrogen 2.903 N/A GLN 46.A NE2 ASP 5.A OD1 no hydrogen 2.965 N/A THR 47.A N ASN 43.A O.A no hydrogen 2.974 N/A THR 47.A N ASN 43.A O.B no hydrogen 2.977 N/A THR 47.A OG1 ASN 43.A O.A no hydrogen 2.680 N/A THR 47.A OG1 ASN 43.A O.B no hydrogen 2.676 N/A THR 47.A OG1 ASN 43.A OD1.A no hydrogen 3.491 N/A TYR 48.A N TYR 44.A O no hydrogen 3.070 N/A TYR 48.A OH LEU 84.A O no hydrogen 2.630 N/A CYS 49.A N VAL 45.A O no hydrogen 2.927 N/A SER 51.A OG LYS 52.A O no hydrogen 3.184 N/A LYS 52.A NZ GLU 1.A O no hydrogen 2.967 N/A LYS 53.A N LEU 181.A O no hydrogen 2.825 N/A LYS 53.A NZ TYR 48.A O no hydrogen 2.643 N/A LYS 53.A NZ PHE 132.A O no hydrogen 2.616 N/A LYS 53.A NZ CYS 135.A O no hydrogen 3.239 N/A GLU 54.A N HIS 134.A O no hydrogen 2.894 N/A VAL 55.A N HIS 134.A O no hydrogen 3.096 N/A LEU 56.A N LEU 185.A O no hydrogen 2.859 N/A PHE 57.A N PHE 136.A O no hydrogen 2.940 N/A LEU 58.A N ILE 187.A O no hydrogen 2.892 N/A GLY 59.A N HIS 138.A O no hydrogen 2.919 N/A ASN 61.A ND2 LEU 143.A O no hydrogen 2.874 N/A PHE 65.A N GLU 111.A OE1 no hydrogen 2.932 N/A GLY 66.A N GLY 63.A O no hydrogen 3.331 N/A ALA 68.A N GLY 63.A O no hydrogen 3.361 N/A GLN 69.A N GLY 66.A O no hydrogen 2.845 N/A GLN 69.A NE2 PRO 64.A O no hydrogen 3.068 N/A THR 70.A N GLY 66.A O no hydrogen 3.005 N/A THR 70.A OG1 GLY 66.A O no hydrogen 3.147 N/A THR 70.A OG1 GLY 75.A O no hydrogen 2.808 N/A GLY 71.A N MET 67.A O no hydrogen 2.905 N/A VAL 72.A N THR 70.A OG1 no hydrogen 3.413 N/A GLU 76.A N PHE 74.A O no hydrogen 2.883 N/A HIS 79.A N GLU 76.A OE1 no hydrogen 2.941 N/A HIS 79.A ND1 GLU 76.A OE1 no hydrogen 2.713 N/A VAL 80.A N GLU 76.A O no hydrogen 2.985 N/A ARG 81.A N VAL 77.A O no hydrogen 2.900 N/A ARG 81.A NE GLU 87.A OE2 no hydrogen 3.205 N/A ARG 81.A NH2 GLU 87.A OE1 no hydrogen 3.299 N/A ARG 81.A NH2 GLU 87.A OE2 no hydrogen 3.547 N/A ASP 82.A N ASN 78.A O no hydrogen 2.868 N/A TRP 83.A N HIS 79.A O no hydrogen 2.978 N/A TRP 83.A NE1 GLY 126.A O no hydrogen 2.979 N/A LEU 84.A N HIS 79.A O no hydrogen 3.090 N/A ILE 86.A N VAL 80.A O no hydrogen 3.076 N/A SER 91.A N TYR 36.A O no hydrogen 2.922 N/A SER 91.A OG TYR 36.A O no hydrogen 3.382 N/A HIS 97.A N TYR 31.A OH no hydrogen 2.971 N/A HIS 97.A NE2 HIS 148.A O no hydrogen 2.848 N/A LYS 99.A N HIS 97.A ND1 no hydrogen 3.052 N/A ARG 100.A N HIS 97.A O no hydrogen 2.856 N/A ARG 100.A NH1 LYS 99.A O no hydrogen 3.089 N/A ILE 102.A N GLU 96.A OE2 no hydrogen 2.918 N/A ARG 103.A N GLN 69.A OE1 no hydrogen 2.909 N/A ARG 103.A NH2 GLU 106.A OE1 no hydrogen 3.254 N/A GLY 104.A N GLN 69.A OE1 no hydrogen 3.020 N/A GLU 106.A N ARG 103.A O no hydrogen 3.111 N/A CYS 107.A N GLY 104.A O no hydrogen 2.966 N/A CYS 107.A SG GLN 109.A O no hydrogen 3.847 N/A CYS 107.A SG GLN 109.A OE1 no hydrogen 3.715 N/A SER 110.A OG GLU 76.A OE2 no hydrogen 2.604 N/A ALA 115.A N GLU 111.A O no hydrogen 2.945 N/A ARG 116.A N VAL 112.A O no hydrogen 2.905 N/A ARG 116.A NH1 PRO 216.A O no hydrogen 2.849 N/A PHE 117.A N SER 113.A O no hydrogen 3.063 N/A TRP 118.A N GLY 114.A O no hydrogen 3.021 N/A TRP 118.A NE1 PRO 73.A O no hydrogen 3.114 N/A SER 119.A N ALA 115.A O no hydrogen 2.958 N/A LEU 120.A N ARG 116.A O no hydrogen 3.069 N/A PHE 121.A N PHE 117.A O no hydrogen 3.424 N/A LYS 122.A N TRP 118.A O no hydrogen 2.843 N/A SER 123.A N SER 119.A O no hydrogen 3.060 N/A SER 123.A OG SER 119.A O no hydrogen 3.475 N/A LEU 124.A N LEU 120.A O no hydrogen 2.967 N/A CYS 125.A N PHE 121.A O no hydrogen 2.775 N/A CYS 125.A SG LEU 244.A O no hydrogen 3.052 N/A GLY 126.A N LYS 122.A O no hydrogen 2.947 N/A GLN 127.A N CYS 125.A O no hydrogen 2.992 N/A GLU 129.A N GLU 129.A OE1 no hydrogen 2.791 N/A THR 130.A N GLN 127.A O no hydrogen 3.072 N/A PHE 132.A N PRO 128.A O no hydrogen 2.921 N/A PHE 136.A N VAL 55.A O no hydrogen 3.083 N/A HIS 138.A N PHE 57.A O no hydrogen 3.016 N/A HIS 140.A N GLY 59.A O no hydrogen 2.865 N/A CYS 141.A N MET 60.A O no hydrogen 3.025 N/A CYS 141.A SG LEU 143.A O no hydrogen 3.868 N/A ILE 144.A N TYR 31.A O no hydrogen 2.957 N/A MET 146.A N TYR 29.A O no hydrogen 2.994 N/A ASN 147.A N LYS 151.A O no hydrogen 3.023 N/A SER 149.A N ASN 147.A OD1 no hydrogen 3.020 N/A SER 149.A OG ASN 147.A OD1 no hydrogen 3.205 N/A GLY 150.A N ASN 147.A O no hydrogen 3.047 N/A LYS 151.A N ASN 147.A OD1 no hydrogen 3.079 N/A LEU 153.A N PHE 145.A O no hydrogen 2.957 N/A THR 154.A N ASP 157.A OD2 no hydrogen 3.052 N/A ASP 157.A N THR 154.A O no hydrogen 2.869 N/A ASP 157.A N THR 154.A OG1 no hydrogen 3.368 N/A LEU 158.A N PRO 155.A O no hydrogen 3.234 N/A LYS 160.A NZ ASP 164.A OD2 no hydrogen 2.932 N/A GLN 162.A NE2 GLN 24.A O no hydrogen 3.073 N/A ARG 163.A N PRO 159.A O no hydrogen 2.955 N/A ARG 163.A NH1 LEU 158.A O no hydrogen 2.763 N/A ASP 164.A N LYS 160.A O no hydrogen 2.864 N/A THR 165.A N ALA 161.A O no hydrogen 3.383 N/A THR 165.A OG1 ALA 161.A O no hydrogen 3.008 N/A LEU 166.A N GLN 162.A O no hydrogen 3.135 N/A LEU 167.A N ARG 163.A O no hydrogen 2.965 N/A GLU 168.A N ASP 164.A O no hydrogen 3.114 N/A CYS 170.A N LEU 166.A O no hydrogen 3.076 N/A CYS 170.A SG LEU 166.A O no hydrogen 3.524 N/A ASP 171.A N LEU 167.A O no hydrogen 2.901 N/A GLU 172.A N GLU 168.A O no hydrogen 3.336 N/A ALA 173.A N ILE 169.A O no hydrogen 3.287 N/A LEU 174.A N CYS 170.A O no hydrogen 2.857 N/A CYS 175.A N ASP 171.A O no hydrogen 3.085 N/A CYS 175.A SG ASP 171.A O no hydrogen 3.404 N/A CYS 175.A SG ALA 200.A O no hydrogen 3.499 N/A GLN 176.A N GLU 172.A O no hydrogen 3.176 N/A ALA 177.A N ALA 173.A O no hydrogen 2.901 N/A VAL 178.A N LEU 174.A O no hydrogen 2.933 N/A ARG 179.A N CYS 175.A O no hydrogen 3.081 N/A VAL 180.A N GLN 176.A O no hydrogen 2.951 N/A LEU 181.A N ALA 177.A O no hydrogen 3.033 N/A GLY 182.A N VAL 178.A O no hydrogen 3.114 N/A GLY 182.A N ARG 179.A O no hydrogen 3.296 N/A VAL 183.A N VAL 178.A O no hydrogen 3.370 N/A LYS 184.A N GLU 54.A O no hydrogen 3.013 N/A LYS 184.A NZ GLY 182.A O no hydrogen 3.309 N/A LEU 185.A N GLU 54.A O no hydrogen 3.011 N/A VAL 186.A N THR 209.A O no hydrogen 2.874 N/A ILE 187.A N LEU 56.A O no hydrogen 2.747 N/A GLY 188.A N LYS 211.A O no hydrogen 2.854 N/A VAL 189.A N LEU 58.A O no hydrogen 2.773 N/A GLY 190.A N ILE 213.A O no hydrogen 2.972 N/A ARG 191.A NH1 GLU 194.A OE1 no hydrogen 3.273 N/A SER 193.A OG LEU 58.A O no hydrogen 3.552 N/A GLU 194.A N GLY 190.A O no hydrogen 3.132 N/A GLN 195.A N ARG 191.A O no hydrogen 2.942 N/A GLN 195.A NE2 ARG 191.A O no hydrogen 3.240 N/A ARG 196.A N PHE 192.A O no hydrogen 3.004 N/A ARG 196.A NE ASP 171.A OD1 no hydrogen 3.095 N/A ARG 196.A NH1 ASP 171.A OD2 no hydrogen 2.996 N/A ALA 197.A N SER 193.A O no hydrogen 2.882 N/A ARG 198.A N GLU 194.A O no hydrogen 2.951 N/A ARG 198.A NH2 GLU 194.A OE2 no hydrogen 2.824 N/A ARG 198.A NH2 VAL 210.A O no hydrogen 3.026 N/A LYS 199.A N GLN 195.A O no hydrogen 3.151 N/A LYS 199.A NZ GLN 195.A O no hydrogen 2.653 N/A ALA 200.A N ARG 196.A O no hydrogen 3.052 N/A LEU 201.A N ALA 197.A O no hydrogen 2.971 N/A MET 202.A N ARG 198.A O no hydrogen 2.956 N/A ALA 203.A N LYS 199.A O no hydrogen 3.055 N/A GLY 205.A N MET 202.A O.A no hydrogen 3.155 N/A GLY 205.A N MET 202.A O.B no hydrogen 3.131 N/A ILE 206.A N LEU 201.A O no hydrogen 3.033 N/A THR 209.A N LYS 184.A O no hydrogen 2.993 N/A LYS 211.A N VAL 186.A O no hydrogen 2.914 N/A ILE 213.A N GLY 188.A O no hydrogen 2.902 N/A MET 214.A N GLN 234.A OE1 no hydrogen 2.958 N/A SER 217.A N HIS 215.A ND1 no hydrogen 2.983 N/A ARG 219.A N SER 217.A OG no hydrogen 2.886 N/A ASN 220.A N SER 217.A O no hydrogen 2.956 N/A ASN 220.A ND2 HIS 215.A O no hydrogen 3.060 N/A GLN 222.A N ASN 220.A OD1 no hydrogen 3.104 N/A ALA 223.A N ASN 220.A O no hydrogen 2.838 N/A ASN 224.A N PRO 221.A O no hydrogen 3.263 N/A TRP 227.A NE1 MET 214.A O no hydrogen 2.986 N/A ILE 230.A N GLY 226.A O no hydrogen 2.917 N/A VAL 231.A N TRP 227.A O no hydrogen 2.930 N/A ARG 232.A N GLU 228.A O no hydrogen 2.892 N/A ARG 232.A NE GLU 228.A OE2 no hydrogen 3.443 N/A GLY 233.A N GLY 229.A O no hydrogen 3.278 N/A GLN 234.A N ILE 230.A O no hydrogen 3.046 N/A LEU 235.A N VAL 231.A O no hydrogen 2.835 N/A LEU 236.A N ARG 232.A O no hydrogen 2.975 N/A GLU 237.A N GLY 233.A O no hydrogen 3.124 N/A LEU 238.A N GLN 234.A O no hydrogen 3.015 N/A GLY 239.A N LEU 236.A O no hydrogen 3.147 N/A VAL 240.A N LEU 235.A O no hydrogen 3.371 N/A LEU 244.A N VAL 240.A O no hydrogen 3.068 N/A THR 245.A OG1 LEU 241.A O no hydrogen 2.938 N/A THR 245.A OG1 SER 242.A O no hydrogen 3.457 N/A