Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4i0s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ILE 70.A O no hydrogen 2.821 N/A ARG 5.A NH2 GLU 74.A OE1 no hydrogen 2.899 N/A LEU 7.A N ASP 4.A O no hydrogen 3.200 N/A LEU 8.A N ARG 5.A O no hydrogen 2.941 N/A THR 9.A N TYR 27.A O no hydrogen 2.968 N/A GLU 11.A N LYS 25.A O no hydrogen 3.005 N/A LEU 15.A N VAL 23.A O no hydrogen 2.839 N/A GLY 16.A N VAL 23.A O no hydrogen 3.469 N/A ASN 19.A N ASP 144.A OD1 no hydrogen 3.027 N/A ASN 19.A ND2 ASP 126.A OD2 no hydrogen 2.740 N/A ASN 19.A ND2 ASP 144.A OD2 no hydrogen 3.047 N/A THR 22.A N ILE 41.A O no hydrogen 2.708 N/A VAL 23.A N GLY 16.A O no hydrogen 2.667 N/A LYS 24.A N VAL 39.A O no hydrogen 2.765 N/A LYS 24.A NZ ASP 12.A O no hydrogen 3.425 N/A GLY 26.A N VAL 37.A O no hydrogen 2.782 N/A TYR 27.A N THR 9.A O no hydrogen 2.845 N/A TYR 28.A N LYS 35.A O no hydrogen 2.775 N/A GLN 29.A N LEU 7.A O no hydrogen 3.006 N/A MET 30.A N VAL 33.A O no hydrogen 2.836 N/A LYS 35.A N TYR 28.A O no hydrogen 2.824 N/A VAL 37.A N GLY 26.A O no hydrogen 2.810 N/A ALA 38.A N MET 80.A O no hydrogen 2.863 N/A VAL 39.A N LYS 24.A O no hydrogen 2.729 N/A LYS 40.A N LEU 78.A O no hydrogen 2.832 N/A LYS 40.A NZ GLU 52.A OE1 no hydrogen 3.381 N/A LYS 40.A NZ GLU 52.A OE2 no hydrogen 2.589 N/A ILE 41.A N THR 22.A O no hydrogen 2.665 N/A LEU 42.A N SER 75.A OG no hydrogen 3.072 N/A GLU 48.A N ALA 44.A O no hydrogen 3.297 N/A LEU 49.A N LEU 45.A O no hydrogen 3.343 N/A LEU 50.A N LYS 46.A O no hydrogen 3.124 N/A ALA 51.A N ASP 47.A O no hydrogen 2.885 N/A GLU 52.A N GLU 48.A O no hydrogen 2.920 N/A ALA 53.A N LEU 49.A O no hydrogen 2.822 N/A ASN 54.A N LEU 50.A O no hydrogen 2.765 N/A VAL 55.A N ALA 51.A O no hydrogen 2.933 N/A MET 56.A N GLU 52.A O no hydrogen 3.006 N/A GLN 57.A N ALA 53.A O no hydrogen 2.928 N/A GLN 58.A N VAL 55.A O no hydrogen 3.152 N/A GLN 58.A NE2 ASN 54.A O no hydrogen 3.638 N/A LEU 59.A N MET 56.A O no hydrogen 3.020 N/A ASP 60.A N TYR 116.A OH no hydrogen 2.877 N/A TYR 63.A N ASN 61.A OD1 no hydrogen 2.880 N/A ILE 64.A N ASN 61.A O no hydrogen 3.291 N/A VAL 65.A N ILE 142.A O no hydrogen 2.957 N/A ARG 66.A N GLU 81.A OE2 no hydrogen 2.915 N/A ARG 66.A NH1 ASP 60.A OD1 no hydrogen 2.540 N/A ILE 68.A N VAL 79.A O no hydrogen 2.646 N/A GLY 69.A N VAL 79.A O no hydrogen 3.253 N/A ILE 70.A N VAL 1.A O no hydrogen 2.932 N/A CYS 71.A N MET 77.A O no hydrogen 3.016 N/A CYS 71.A SG LEU 3.A O no hydrogen 3.799 N/A ALA 73.A N SER 75.A O no hydrogen 3.056 N/A SER 75.A OG LEU 42.A O no hydrogen 3.454 N/A SER 75.A OG TRP 76.A O no hydrogen 2.828 N/A MET 77.A N CYS 71.A O no hydrogen 2.755 N/A LEU 78.A N LYS 40.A O no hydrogen 2.857 N/A VAL 79.A N GLY 69.A O no hydrogen 2.872 N/A MET 80.A N ALA 38.A O no hydrogen 2.732 N/A GLU 81.A N ARG 66.A O no hydrogen 2.995 N/A LEU 85.A N LEU 134.A O no hydrogen 2.987 N/A GLY 86.A N ALA 83.A O no hydrogen 3.109 N/A LEU 88.A N VAL 132.A O no hydrogen 2.700 N/A TYR 91.A N PRO 87.A O no hydrogen 3.010 N/A LEU 92.A N LEU 88.A O no hydrogen 3.025 N/A GLN 93.A N ASN 89.A O no hydrogen 3.012 N/A GLN 93.A NE2 GLY 197.A O no hydrogen 2.894 N/A GLN 94.A N LYS 90.A O no hydrogen 3.084 N/A GLN 94.A N TYR 91.A O no hydrogen 3.185 N/A ASN 95.A N LEU 92.A O no hydrogen 3.334 N/A ASN 95.A ND2 TYR 91.A O no hydrogen 2.756 N/A VAL 98.A N ASN 95.A O no hydrogen 3.489 N/A LYS 99.A NZ HIS 97.A O no hydrogen 3.341 N/A ASN 102.A ND2 GLN 137.A O no hydrogen 2.937 N/A ILE 103.A N LYS 99.A O no hydrogen 3.117 N/A ILE 104.A N ASP 100.A O no hydrogen 2.869 N/A GLU 105.A N LYS 101.A O no hydrogen 2.991 N/A LEU 106.A N ASN 102.A O no hydrogen 3.109 N/A VAL 107.A N ILE 103.A O no hydrogen 2.975 N/A HIS 108.A N ILE 104.A O no hydrogen 2.927 N/A HIS 108.A NE2 GLU 251.A OE2 no hydrogen 2.739 N/A GLN 109.A N GLU 105.A O no hydrogen 3.133 N/A GLN 109.A NE2 HIS 138.A O no hydrogen 2.934 N/A VAL 110.A N LEU 106.A O no hydrogen 3.081 N/A SER 111.A N VAL 107.A O no hydrogen 2.938 N/A SER 111.A OG HIS 108.A O no hydrogen 2.607 N/A MET 112.A N HIS 108.A O no hydrogen 2.990 N/A GLY 113.A N GLN 109.A O no hydrogen 3.107 N/A MET 114.A N VAL 110.A O no hydrogen 2.928 N/A LYS 115.A N SER 111.A O no hydrogen 2.792 N/A TYR 116.A N MET 112.A O no hydrogen 3.216 N/A LEU 117.A N GLY 113.A O no hydrogen 3.044 N/A GLU 118.A N MET 114.A O no hydrogen 2.928 N/A GLU 119.A N LYS 115.A O no hydrogen 2.977 N/A SER 120.A N TYR 116.A O no hydrogen 2.818 N/A SER 120.A OG TYR 116.A O no hydrogen 2.768 N/A ASN 121.A N GLU 118.A O no hydrogen 3.020 N/A PHE 122.A N LEU 117.A O no hydrogen 2.995 N/A VAL 123.A N LYS 149.A O no hydrogen 2.926 N/A HIS 124.A N ASP 182.A OD2 no hydrogen 2.746 N/A HIS 124.A NE2 SER 143.A O no hydrogen 2.913 N/A ARG 125.A N ASP 182.A OD1 no hydrogen 3.092 N/A ARG 125.A NH1 LEU 147.A O no hydrogen 3.026 N/A ASP 126.A N HIS 124.A ND1 no hydrogen 3.053 N/A ALA 129.A N GLU 192.A OE1 no hydrogen 2.952 N/A ARG 130.A NH2 ASP 126.A OD1 no hydrogen 2.937 N/A ASN 131.A N ALA 128.A O no hydrogen 2.976 N/A ASN 131.A ND2 ASP 126.A O no hydrogen 2.754 N/A VAL 132.A N ALA 129.A O no hydrogen 3.188 N/A LEU 133.A N LYS 141.A O no hydrogen 2.773 N/A LEU 134.A N GLY 86.A O no hydrogen 2.861 N/A VAL 135.A N TYR 139.A O no hydrogen 2.882 N/A THR 136.A N TYR 139.A O no hydrogen 3.455 N/A GLN 137.A NE2 ASN 102.A OD1 no hydrogen 2.804 N/A HIS 138.A N THR 136.A OG1 no hydrogen 3.007 N/A HIS 138.A ND1 GLU 105.A OE1 no hydrogen 2.749 N/A TYR 139.A N THR 136.A O no hydrogen 3.189 N/A TYR 139.A OH PRO 62.A O no hydrogen 2.626 N/A ALA 140.A N GLN 109.A OE1 no hydrogen 2.840 N/A LYS 141.A N LEU 133.A O no hydrogen 2.821 N/A LYS 141.A NZ PRO 62.A O no hydrogen 2.940 N/A LYS 141.A NZ ILE 64.A O no hydrogen 3.123 N/A LYS 141.A NZ GLU 81.A OE2 no hydrogen 2.789 N/A LYS 141.A NZ TYR 139.A OH no hydrogen 3.416 N/A ILE 142.A N TYR 63.A O no hydrogen 2.908 N/A SER 143.A N ASN 131.A O no hydrogen 2.806 N/A SER 143.A OG ASN 131.A O no hydrogen 3.062 N/A GLY 146.A N ASP 144.A OD2 no hydrogen 3.165 N/A SER 148.A N PHE 145.A O no hydrogen 3.087 N/A SER 148.A OG HIS 124.A O no hydrogen 2.913 N/A LYS 149.A N VAL 123.A O no hydrogen 2.938 N/A LEU 151.A N ASN 121.A O no hydrogen 3.005 N/A ARG 152.A NE ASP 154.A OD1 no hydrogen 2.998 N/A ARG 152.A NH1 ASP 154.A OD1 no hydrogen 3.382 N/A ARG 152.A NH1 ASP 154.A OD2 no hydrogen 2.913 N/A GLU 155.A N ARG 152.A O no hydrogen 3.178 N/A TYR 158.A N PHE 177.A O no hydrogen 2.722 N/A ALA 160.A N TYR 175.A O no hydrogen 2.983 N/A VAL 164.A N TRP 162.A O no hydrogen 2.792 N/A LYS 165.A NZ TYR 201.A O no hydrogen 3.069 N/A LYS 165.A NZ MET 204.A O no hydrogen 2.685 N/A TRP 166.A N PRO 163.A O no hydrogen 2.866 N/A TRP 166.A NE1 GLU 192.A OE1 no hydrogen 2.870 N/A TYR 167.A N VAL 164.A O no hydrogen 2.988 N/A TYR 167.A OH ARG 125.A O no hydrogen 2.672 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.848 N/A CYS 171.A N ALA 168.A O no hydrogen 3.031 N/A CYS 171.A SG LYS 176.A O no hydrogen 3.494 N/A ILE 172.A N ALA 168.A O no hydrogen 3.231 N/A ASN 173.A N PRO 169.A O no hydrogen 2.810 N/A TYR 174.A N GLU 170.A O no hydrogen 2.947 N/A LYS 176.A N GLU 170.A O no hydrogen 3.285 N/A PHE 177.A N TYR 158.A O no hydrogen 2.852 N/A SER 178.A N SER 181.A OG no hydrogen 2.909 N/A LYS 180.A NZ VAL 241.A O no hydrogen 3.027 N/A LYS 180.A NZ ARG 244.A O no hydrogen 2.691 N/A SER 181.A N SER 178.A OG no hydrogen 3.300 N/A SER 181.A OG SER 178.A O no hydrogen 2.589 N/A ASP 182.A N SER 178.A O no hydrogen 3.141 N/A VAL 183.A N SER 179.A O no hydrogen 2.886 N/A TRP 184.A N LYS 180.A O no hydrogen 3.075 N/A SER 185.A N SER 181.A O no hydrogen 3.108 N/A SER 185.A OG LEU 127.A O no hydrogen 2.402 N/A SER 185.A OG TRP 166.A O no hydrogen 3.524 N/A PHE 186.A N ASP 182.A O no hydrogen 2.772 N/A GLY 187.A N VAL 183.A O no hydrogen 3.083 N/A VAL 188.A N TRP 184.A O no hydrogen 3.322 N/A LEU 189.A N SER 185.A O no hydrogen 2.959 N/A MET 190.A N PHE 186.A O no hydrogen 2.860 N/A TRP 191.A N GLY 187.A O no hydrogen 3.039 N/A TRP 191.A NE1 GLY 220.A O no hydrogen 2.997 N/A GLU 192.A N VAL 188.A O no hydrogen 2.865 N/A ALA 193.A N LEU 189.A O no hydrogen 2.908 N/A PHE 194.A N MET 190.A O no hydrogen 2.937 N/A SER 195.A N TRP 191.A O no hydrogen 2.944 N/A SER 195.A OG TRP 191.A O no hydrogen 2.690 N/A TYR 196.A N ALA 193.A O no hydrogen 3.168 N/A TYR 196.A OH VAL 98.A O no hydrogen 2.685 N/A GLY 197.A N GLU 192.A O no hydrogen 2.817 N/A GLN 198.A N SER 195.A O no hydrogen 3.401 N/A ARG 202.A NH2 GLN 198.A OE1 no hydrogen 3.084 N/A MET 204.A N TYR 201.A O no hydrogen 3.088 N/A LYS 205.A N GLU 208.A OE1 no hydrogen 2.961 N/A GLU 208.A N LYS 205.A O no hydrogen 2.854 N/A VAL 209.A N LYS 205.A O no hydrogen 3.049 N/A THR 210.A N GLY 206.A O no hydrogen 3.076 N/A THR 210.A OG1 GLY 206.A O no hydrogen 3.335 N/A ALA 211.A N SER 207.A O no hydrogen 3.163 N/A MET 212.A N GLU 208.A O no hydrogen 3.035 N/A LEU 213.A N VAL 209.A O no hydrogen 2.994 N/A GLU 214.A N THR 210.A O no hydrogen 3.074 N/A LYS 215.A N ALA 211.A O no hydrogen 3.210 N/A LYS 215.A N MET 212.A O no hydrogen 3.144 N/A GLY 216.A N LEU 213.A O no hydrogen 2.809 N/A GLU 217.A N MET 212.A O no hydrogen 3.070 N/A ARG 218.A NE TRP 237.A O no hydrogen 3.085 N/A ARG 218.A NH1 LEU 213.A O no hydrogen 3.347 N/A ARG 218.A NH1 GLU 217.A O no hydrogen 3.031 N/A ARG 218.A NH2 TRP 237.A O no hydrogen 3.099 N/A CYS 221.A SG PRO 222.A O no hydrogen 3.683 N/A CYS 221.A SG CYS 225.A O no hydrogen 3.705 N/A CYS 225.A N PRO 222.A O no hydrogen 3.007 N/A CYS 225.A SG PRO 226.A O no hydrogen 3.541 N/A GLU 228.A N GLU 228.A OE1 no hydrogen 2.720 N/A MET 229.A N PRO 226.A O no hydrogen 2.993 N/A TYR 230.A N PRO 226.A O no hydrogen 3.027 N/A TYR 230.A OH MET 219.A O no hydrogen 2.562 N/A ASP 231.A N ARG 227.A O no hydrogen 2.815 N/A LEU 232.A N GLU 228.A O no hydrogen 3.190 N/A MET 233.A N MET 229.A O no hydrogen 3.050 N/A ASN 234.A N TYR 230.A O no hydrogen 3.011 N/A ASN 234.A ND2 TYR 230.A O no hydrogen 3.419 N/A LEU 235.A N ASP 231.A O no hydrogen 3.029 N/A CYS 236.A N LEU 232.A O no hydrogen 2.978 N/A CYS 236.A SG LEU 232.A O no hydrogen 3.466 N/A TRP 237.A N MET 233.A O no hydrogen 3.083 N/A THR 238.A N LEU 235.A O no hydrogen 3.164 N/A THR 238.A OG1 LEU 235.A O no hydrogen 2.575 N/A ASN 243.A N ASP 240.A O no hydrogen 3.243 N/A ASN 243.A N ASP 240.A OD2 no hydrogen 3.350 N/A ARG 244.A N ASP 240.A O no hydrogen 3.154 N/A ARG 244.A N VAL 241.A O no hydrogen 3.270 N/A ARG 244.A NE THR 238.A O no hydrogen 2.823 N/A ARG 244.A NH1 GLU 170.A OE1 no hydrogen 3.541 N/A ARG 244.A NH1 GLU 170.A OE2 no hydrogen 2.742 N/A ARG 244.A NH1 LYS 180.A O no hydrogen 2.993 N/A ARG 244.A NH2 GLU 170.A OE1 no hydrogen 2.894 N/A ARG 244.A NH2 THR 238.A O no hydrogen 3.093 N/A ARG 244.A NH2 TYR 239.A O no hydrogen 3.033 N/A PHE 247.A N GLU 118.A OE2 no hydrogen 2.947 N/A VAL 250.A N GLY 246.A O no hydrogen 3.134 N/A GLU 251.A N PHE 247.A O no hydrogen 2.764 N/A LEU 252.A N ALA 248.A O no hydrogen 3.313 N/A ARG 253.A N ALA 249.A O no hydrogen 3.222 N/A LEU 254.A N VAL 250.A O no hydrogen 3.055 N/A ARG 255.A N GLU 251.A O no hydrogen 2.723 N/A ARG 255.A NE GLU 251.A OE2 no hydrogen 2.961 N/A ARG 255.A NH2 GLU 251.A OE1 no hydrogen 2.813 N/A ASN 256.A N LEU 252.A O no hydrogen 2.964 N/A TYR 257.A N ARG 253.A O no hydrogen 3.063 N/A TYR 258.A N LEU 254.A O no hydrogen 2.989 N/A TYR 259.A N ARG 255.A O no hydrogen 3.187 N/A ASP 260.A N ASN 256.A O no hydrogen 3.134 N/A VAL 261.A N TYR 257.A O no hydrogen 3.029 N/A VAL 262.A N TYR 258.A O no hydrogen 2.841 N/A ASN 263.A N TYR 259.A O no hydrogen 2.917 N/A ASN 263.A ND2 TYR 259.A O no hydrogen 2.839 N/A GLU 264.A N ASP 260.A O no hydrogen 3.113 N/A GLY 265.A N VAL 261.A O no hydrogen 2.977 N/A HIS 266.A N ASN 263.A O no hydrogen 3.343 N/A HIS 267.A N GLU 264.A O no hydrogen 3.022 N/A