Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3irs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLU 273.A OE2 no hydrogen 3.067 N/A ILE 4.A N LEU 268.A O no hydrogen 2.702 N/A ASP 5.A N GLN 61.A O no hydrogen 2.859 N/A PHE 6.A N PHE 238.A O no hydrogen 2.880 N/A ARG 7.A N ASP 5.A OD1 no hydrogen 3.021 N/A ARG 7.A NH2 GLU 123.A OE2 no hydrogen 3.124 N/A LEU 8.A N VAL 63.A O no hydrogen 3.094 N/A ARG 9.A N TYR 242.A O no hydrogen 3.023 N/A ARG 9.A NE TYR 242.A O no hydrogen 2.908 N/A ARG 9.A NH2 ALA 241.A O no hydrogen 2.911 N/A ARG 9.A NH2 TYR 242.A O no hydrogen 3.519 N/A ALA 12.A N PRO 10.A O no hydrogen 2.740 N/A PHE 15.A N ALA 12.A O no hydrogen 3.175 N/A LEU 16.A N MET 13.A O no hydrogen 3.194 N/A ASN 17.A N GLY 14.A O no hydrogen 2.856 N/A ALA 18.A N PHE 15.A O no hydrogen 3.104 N/A ARG 19.A N LEU 72.A O no hydrogen 2.935 N/A TYR 21.A N ALA 18.A O no hydrogen 2.901 N/A TYR 21.A OH ARG 9.A O no hydrogen 2.663 N/A THR 22.A N ALA 18.A O no hydrogen 2.990 N/A THR 22.A OG1 ALA 18.A O no hydrogen 3.516 N/A ARG 23.A N ARG 19.A O no hydrogen 2.954 N/A ARG 23.A NE ASP 25.A OD1 no hydrogen 2.953 N/A ARG 23.A NE ASP 25.A OD2 no hydrogen 3.471 N/A ARG 23.A NH2 ASP 25.A OD2 no hydrogen 2.993 N/A ARG 27.A N ARG 23.A O no hydrogen 3.193 N/A ARG 27.A NE ASN 28.A OD1 no hydrogen 3.228 N/A ARG 27.A NH1 ILE 20.A O no hydrogen 2.919 N/A ARG 27.A NH2 ASN 28.A OD1 no hydrogen 2.951 N/A ASN 28.A N PRO 24.A O no hydrogen 2.756 N/A ASN 28.A ND2 GLU 43.A OE1 no hydrogen 2.917 N/A ARG 29.A N ASP 25.A O no hydrogen 3.192 N/A PHE 30.A N ILE 26.A O no hydrogen 3.259 N/A THR 31.A N ARG 27.A O no hydrogen 2.918 N/A THR 31.A OG1 ARG 27.A O no hydrogen 3.012 N/A THR 31.A OG1 MET 244.A O no hydrogen 2.742 N/A ARG 32.A N ASN 28.A O no hydrogen 3.015 N/A ARG 32.A NH2 GLU 37.A OE2 no hydrogen 2.915 N/A GLN 33.A N ARG 29.A O no hydrogen 2.946 N/A LEU 34.A N PHE 30.A O no hydrogen 2.886 N/A GLY 35.A N THR 31.A O no hydrogen 3.175 N/A PHE 36.A N THR 31.A O no hydrogen 2.906 N/A SER 41.A N GLU 53.A OE2 no hydrogen 3.005 N/A SER 41.A OG GLU 53.A OE1 no hydrogen 2.627 N/A SER 41.A OG GLU 53.A OE2 no hydrogen 3.445 N/A SER 41.A OG TYR 242.A OH no hydrogen 2.554 N/A GLU 43.A N ALA 39.A O no hydrogen 3.023 N/A GLU 44.A N PRO 40.A O no hydrogen 2.757 N/A LYS 45.A N ALA 42.A O no hydrogen 3.189 N/A LYS 45.A NZ TYR 21.A O no hydrogen 2.873 N/A SER 46.A N SER 41.A O no hydrogen 3.039 N/A LEU 49.A N SER 46.A OG no hydrogen 2.992 N/A MET 50.A N SER 46.A O no hydrogen 3.031 N/A PHE 51.A N LEU 47.A O no hydrogen 2.928 N/A GLU 52.A N GLU 48.A O no hydrogen 3.163 N/A GLU 53.A N LEU 49.A O no hydrogen 2.952 N/A MET 54.A N MET 50.A O no hydrogen 2.836 N/A ALA 55.A N PHE 51.A O no hydrogen 3.146 N/A ALA 56.A N GLU 52.A O no hydrogen 2.963 N/A ALA 57.A N GLU 53.A O no hydrogen 2.939 N/A GLY 58.A N ALA 55.A O no hydrogen 3.212 N/A ILE 59.A N MET 54.A O no hydrogen 3.013 N/A GLU 60.A N ILE 3.A O no hydrogen 2.938 N/A GLN 61.A N ILE 3.A O no hydrogen 3.272 N/A GLN 61.A NE2 ASP 89.A O no hydrogen 3.469 N/A GLY 62.A N LYS 90.A O no hydrogen 2.808 N/A VAL 63.A N ASP 5.A O no hydrogen 2.744 N/A CYS 64.A N HIS 92.A O no hydrogen 2.755 N/A CYS 64.A SG LEU 8.A O no hydrogen 4.000 N/A GLY 66.A N VAL 94.A O no hydrogen 2.924 N/A ARG 67.A NE GLU 123.A OE1 no hydrogen 2.712 N/A ARG 67.A NH2 GLU 123.A OE1 no hydrogen 3.383 N/A ARG 67.A NH2 GLU 123.A OE2 no hydrogen 3.016 N/A ASN 68.A ND2 SER 96.A O no hydrogen 3.143 N/A SER 69.A N SER 74.A OG no hydrogen 2.977 N/A SER 69.A OG VAL 126.A O no hydrogen 2.724 N/A SER 70.A N GLU 98.A OE2 no hydrogen 2.999 N/A VAL 71.A N VAL 126.A O no hydrogen 3.465 N/A LEU 72.A N SER 69.A OG no hydrogen 2.787 N/A SER 74.A OG SER 69.A O no hydrogen 3.491 N/A VAL 75.A N ARG 67.A O no hydrogen 2.847 N/A ASN 77.A ND2 SER 96.A O no hydrogen 2.827 N/A ASN 77.A ND2 GLU 111.A OE2 no hydrogen 3.129 N/A ASP 79.A N SER 76.A OG no hydrogen 2.847 N/A VAL 80.A N SER 76.A O no hydrogen 3.107 N/A ALA 81.A N ASN 77.A O no hydrogen 3.035 N/A ALA 82.A N ALA 78.A O no hydrogen 3.057 N/A VAL 83.A N ASP 79.A O no hydrogen 3.089 N/A ALA 84.A N VAL 80.A O no hydrogen 3.255 N/A LYS 85.A N ALA 81.A O no hydrogen 2.956 N/A ALA 86.A N ALA 82.A O no hydrogen 3.009 N/A TYR 87.A N VAL 83.A O no hydrogen 3.262 N/A LYS 90.A N TYR 87.A O no hydrogen 2.872 N/A LYS 90.A NZ GLU 60.A O no hydrogen 2.996 N/A PHE 91.A N TYR 87.A O no hydrogen 3.008 N/A HIS 92.A N GLY 62.A O no hydrogen 2.949 N/A HIS 92.A NE2 GLN 61.A OE1 no hydrogen 2.899 N/A VAL 94.A N CYS 64.A O no hydrogen 3.093 N/A GLY 95.A N ILE 119.A O no hydrogen 3.003 N/A SER 96.A N ASN 77.A OD1 no hydrogen 2.783 N/A GLU 98.A N GLN 108.A OE1 no hydrogen 2.792 N/A ALA 100.A N GLU 104.A OE1 no hydrogen 2.717 N/A GLU 104.A N THR 101.A OG1 no hydrogen 3.228 N/A ALA 105.A N THR 101.A O no hydrogen 3.101 N/A MET 106.A N ARG 102.A O no hydrogen 2.928 N/A ALA 107.A N LYS 103.A O no hydrogen 2.943 N/A GLN 108.A N GLU 104.A O no hydrogen 3.078 N/A GLN 108.A NE2 GLU 98.A O no hydrogen 2.681 N/A MET 109.A N ALA 105.A O no hydrogen 2.991 N/A GLN 110.A N MET 106.A O no hydrogen 2.805 N/A GLN 110.A NE2 ASP 114.A OD1 no hydrogen 3.181 N/A GLU 111.A N ALA 107.A O no hydrogen 3.054 N/A ILE 112.A N GLN 108.A O no hydrogen 2.954 N/A LEU 113.A N MET 109.A O no hydrogen 2.944 N/A ASP 114.A N GLN 110.A O no hydrogen 2.838 N/A LEU 115.A N GLU 111.A O no hydrogen 3.291 N/A LEU 115.A N ILE 112.A O no hydrogen 3.172 N/A GLY 116.A N LEU 113.A O no hydrogen 2.889 N/A ILE 117.A N ILE 112.A O no hydrogen 3.257 N/A ARG 118.A NH1 LEU 113.A O no hydrogen 2.853 N/A ARG 118.A NH1 ILE 117.A O no hydrogen 3.018 N/A VAL 120.A N PRO 151.A O no hydrogen 3.242 N/A ASN 121.A N GLY 95.A O no hydrogen 2.669 N/A ASN 121.A ND2 GLY 66.A O no hydrogen 2.883 N/A LEU 122.A N ILE 153.A O no hydrogen 2.717 N/A VAL 126.A N GLU 123.A O no hydrogen 3.117 N/A TRP 127.A N PRO 124.A O no hydrogen 3.366 N/A ALA 128.A N GLU 98.A OE2 no hydrogen 2.901 N/A MET 131.A N PRO 124.A O no hydrogen 2.902 N/A ASP 135.A N HIS 132.A O no hydrogen 3.071 N/A ARG 137.A N ASP 135.A OD1 no hydrogen 2.880 N/A ARG 137.A NE ASP 135.A OD1 no hydrogen 2.943 N/A ARG 137.A NH2 ASP 135.A OD2 no hydrogen 2.849 N/A LEU 138.A N ASP 135.A O no hydrogen 2.926 N/A TYR 139.A N ARG 136.A O no hydrogen 2.989 N/A TYR 139.A OH ASP 178.A OD2 no hydrogen 2.513 N/A TYR 142.A N LEU 138.A O no hydrogen 3.033 N/A TYR 142.A OH VAL 133.A O no hydrogen 2.705 N/A ALA 143.A N TYR 139.A O no hydrogen 2.930 N/A PHE 144.A N PRO 140.A O no hydrogen 3.072 N/A CYS 145.A N LEU 141.A O no hydrogen 2.902 N/A CYS 145.A SG LEU 141.A O no hydrogen 3.458 N/A GLU 146.A N TYR 142.A O no hydrogen 2.812 N/A ASP 147.A N ALA 143.A O no hydrogen 3.031 N/A ASN 148.A N PHE 144.A O no hydrogen 2.998 N/A ASN 148.A ND2 PHE 144.A O no hydrogen 2.775 N/A GLY 149.A N GLU 146.A O no hydrogen 3.500 N/A ILE 150.A N CYS 145.A O no hydrogen 2.960 N/A VAL 152.A N THR 183.A O no hydrogen 2.909 N/A ILE 153.A N VAL 120.A O no hydrogen 2.835 N/A MET 154.A N VAL 185.A O no hydrogen 2.836 N/A MET 155.A N LEU 122.A O no hydrogen 3.077 N/A THR 156.A OG1 SER 186.A OG no hydrogen 2.827 N/A THR 156.A OG1 ASN 190.A OD1 no hydrogen 2.700 N/A GLY 158.A N TRP 191.A O no hydrogen 2.818 N/A THR 165.A N ASP 163.A OD1 no hydrogen 2.875 N/A THR 165.A OG1 ASP 163.A OD1 no hydrogen 2.537 N/A TYR 166.A N ASP 163.A O no hydrogen 3.031 N/A THR 167.A N ILE 164.A O no hydrogen 2.925 N/A THR 167.A OG1 ILE 164.A O no hydrogen 2.976 N/A ASN 168.A N THR 165.A O no hydrogen 3.215 N/A GLU 170.A N ASN 168.A OD1 no hydrogen 3.124 N/A HIS 171.A N ASN 168.A O no hydrogen 3.200 N/A HIS 171.A ND1 ASP 134.A OD1 no hydrogen 2.809 N/A ASP 173.A N PRO 169.A O no hydrogen 3.058 N/A ARG 174.A N GLU 170.A O no hydrogen 3.097 N/A ARG 174.A NH1 ASP 134.A OD2 no hydrogen 2.787 N/A ARG 174.A NH1 GLU 170.A OE1 no hydrogen 3.235 N/A ARG 174.A NH2 GLU 170.A OE1 no hydrogen 2.861 N/A VAL 175.A N HIS 171.A O no hydrogen 3.367 N/A LEU 176.A N ILE 172.A O no hydrogen 2.972 N/A GLY 177.A N ASP 173.A O no hydrogen 2.937 N/A ASP 178.A N ARG 174.A O no hydrogen 2.956 N/A PHE 179.A N VAL 175.A O no hydrogen 2.957 N/A ASP 181.A N GLU 146.A OE2 no hydrogen 2.810 N/A LEU 182.A N PHE 179.A O no hydrogen 3.037 N/A THR 183.A OG1 GLN 278.A OE1.A no hydrogen 3.013 N/A VAL 184.A N ASN 206.A O no hydrogen 3.073 N/A VAL 185.A N VAL 152.A O no hydrogen 2.866 N/A SER 186.A N TYR 208.A O no hydrogen 2.884 N/A SER 186.A OG THR 156.A OG1 no hydrogen 2.827 N/A SER 187.A N MET 154.A O no hydrogen 2.999 N/A SER 187.A OG MET 154.A O no hydrogen 3.280 N/A HIS 188.A N ASP 212.A OD2 no hydrogen 2.947 N/A HIS 188.A ND1 ASP 212.A OD1 no hydrogen 2.623 N/A GLY 189.A N SER 186.A O no hydrogen 3.204 N/A ASN 190.A ND2 THR 167.A O no hydrogen 2.717 N/A ASN 190.A ND2 ASN 190.A O no hydrogen 2.765 N/A TRP 191.A N HIS 188.A O no hydrogen 3.042 N/A TRP 191.A NE1 PRO 219.A O no hydrogen 2.886 N/A TRP 193.A N ASN 190.A O no hydrogen 3.062 N/A TRP 193.A NE1 THR 167.A OG1 no hydrogen 2.861 N/A VAL 194.A N PRO 192.A O no hydrogen 2.821 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.653 N/A ILE 197.A N TRP 193.A O no hydrogen 2.836 N/A ILE 198.A N VAL 194.A O no hydrogen 3.036 N/A VAL 200.A N GLU 196.A O no hydrogen 3.022 N/A ALA 201.A N ILE 197.A O no hydrogen 2.802 N/A PHE 202.A N ILE 198.A O no hydrogen 2.841 N/A ARG 203.A N HIS 199.A O no hydrogen 2.881 N/A ARG 204.A N VAL 200.A O no hydrogen 2.750 N/A ARG 204.A NE ASP 173.A OD1 no hydrogen 2.732 N/A ARG 204.A NH2 ASP 173.A OD1 no hydrogen 3.226 N/A ARG 204.A NH2 ASP 173.A OD2 no hydrogen 3.040 N/A ASN 206.A ND2 LEU 182.A O no hydrogen 2.737 N/A LEU 207.A N ARG 204.A O no hydrogen 3.149 N/A TYR 208.A N VAL 184.A O no hydrogen 2.749 N/A LEU 209.A N ARG 235.A O no hydrogen 2.782 N/A SER 210.A N SER 186.A O no hydrogen 2.915 N/A SER 210.A OG LEU 237.A O no hydrogen 3.035 N/A MET 213.A N ASP 212.A OD1 no hydrogen 2.716 N/A TYR 214.A N PRO 211.A O no hydrogen 2.971 N/A LEU 215.A N ASP 212.A O no hydrogen 3.116 N/A TYR 216.A N MET 213.A O no hydrogen 3.253 N/A HIS 221.A N LEU 218.A O no hydrogen 3.160 N/A HIS 221.A ND1 LEU 215.A O no hydrogen 2.766 N/A PHE 224.A N GLY 220.A O no hydrogen 2.932 N/A ILE 225.A N HIS 221.A O no hydrogen 3.150 N/A GLN 226.A N ALA 222.A O no hydrogen 2.896 N/A ALA 227.A N ASP 223.A O no hydrogen 3.047 N/A ALA 228.A N PHE 224.A O no hydrogen 2.841 N/A ASN 229.A N ILE 225.A O no hydrogen 3.146 N/A ASN 229.A ND2 ILE 225.A O no hydrogen 3.136 N/A ASN 229.A ND2 PRO 258.A O no hydrogen 2.859 N/A SER 230.A N ALA 227.A O no hydrogen 2.902 N/A SER 230.A OG.A GLN 226.A O no hydrogen 3.245 N/A SER 230.A OG.A ALA 227.A O no hydrogen 3.279 N/A PHE 231.A N SER 230.A OG.B no hydrogen 2.585 N/A LEU 232.A N ALA 227.A O no hydrogen 2.885 N/A ALA 233.A N SER 230.A O no hydrogen 3.272 N/A ARG 235.A N LEU 232.A O no hydrogen 2.949 N/A ARG 235.A NE.A PRO 205.A O no hydrogen 2.697 N/A ARG 235.A NH1.A ASP 234.A O no hydrogen 3.226 N/A ARG 235.A NH1.B ALA 201.A O no hydrogen 3.109 N/A ARG 235.A NH2.A PRO 205.A O no hydrogen 3.439 N/A ARG 235.A NH2.B ALA 201.A O no hydrogen 2.925 N/A ARG 235.A NH2.B LEU 207.A O no hydrogen 2.855 N/A LEU 237.A N LEU 209.A O no hydrogen 2.959 N/A PHE 238.A N ILE 267.A O no hydrogen 2.885 N/A THR 240.A N ASP 5.A OD1 no hydrogen 2.924 N/A THR 240.A OG1 ASP 5.A OD1 no hydrogen 3.252 N/A THR 240.A OG1 ASP 5.A OD2 no hydrogen 2.377 N/A THR 240.A OG1 ARG 7.A O no hydrogen 3.548 N/A TYR 242.A N THR 240.A OG1 no hydrogen 3.102 N/A TYR 242.A OH SER 41.A OG no hydrogen 2.554 N/A MET 244.A N ALA 241.A O no hydrogen 2.765 N/A LYS 248.A NZ GLU 252.A OE2 no hydrogen 2.836 N/A GLU 249.A N GLU 249.A OE1 no hydrogen 2.757 N/A TYR 250.A N PRO 246.A O no hydrogen 3.283 N/A TYR 250.A OH ASP 212.A O no hydrogen 2.664 N/A THR 251.A N LEU 247.A O no hydrogen 3.098 N/A THR 251.A OG1 LEU 247.A O no hydrogen 2.612 N/A GLU 252.A N LYS 248.A O no hydrogen 2.908 N/A TRP 253.A N GLU 249.A O no hydrogen 3.086 N/A PHE 254.A N TYR 250.A O no hydrogen 2.789 N/A LEU 255.A N THR 251.A O no hydrogen 2.931 N/A THR 256.A N TRP 253.A O no hydrogen 3.296 N/A THR 256.A OG1 TRP 253.A O no hydrogen 3.113 N/A LEU 257.A N PHE 254.A O no hydrogen 3.091 N/A ILE 259.A N LEU 257.A O no hydrogen 2.825 N/A LYS 260.A N ASN 229.A OD1 no hydrogen 2.907 N/A LYS 260.A NZ ASN 229.A O no hydrogen 2.929 N/A ALA 263.A N LYS 260.A O no hydrogen 2.901 N/A MET 264.A N LYS 260.A O no hydrogen 2.739 N/A GLU 265.A N PRO 261.A O no hydrogen 2.926 N/A LYS 266.A NZ ASP 234.A OD1 no hydrogen 3.074 N/A ILE 267.A N ALA 263.A O no hydrogen 3.032 N/A LEU 268.A N MET 264.A O no hydrogen 3.045 N/A HIS 269.A N GLU 265.A O no hydrogen 3.001 N/A GLY 270.A N GLU 265.A O no hydrogen 3.008 N/A ASN 271.A N LYS 266.A O no hydrogen 2.567 N/A ASN 271.A ND2 ALA 233.A O no hydrogen 2.904 N/A ASN 271.A ND2 MET 236.A O no hydrogen 2.885 N/A GLU 273.A N HIS 269.A O no hydrogen 2.872 N/A ARG 274.A N GLY 270.A O no hydrogen 3.207 N/A ARG 274.A NE TYR 208.A OH no hydrogen 3.256 N/A ARG 274.A NH1 ASN 271.A OD1 no hydrogen 3.343 N/A ARG 274.A NH2 TYR 208.A OH no hydrogen 2.956 N/A ARG 274.A NH2 ASN 271.A OD1 no hydrogen 3.140 N/A LEU 275.A N ASN 271.A O no hydrogen 3.132 N/A LEU 276.A N ALA 272.A O no hydrogen 2.838 N/A ALA 277.A N GLU 273.A O no hydrogen 2.962 N/A GLN 278.A N ARG 274.A O no hydrogen 2.879 N/A ALA 279.A N LEU 275.A O no hydrogen 3.087 N/A GLY 280.A N GLY 149.A O no hydrogen 3.342 N/A ARG 281.A N ASN 148.A O no hydrogen 3.020 N/A