Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xir_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N GLU 3.A OE2 no hydrogen 2.808 N/A ARG 4.A N HIS 1.A O no hydrogen 3.471 N/A ARG 4.A NH1 HIS 1.A O no hydrogen 3.138 N/A LEU 5.A N CYS 2.A O no hydrogen 3.028 N/A TYR 7.A OH GLU 13.A OE2 no hydrogen 2.683 N/A SER 10.A OG ASP 8.A OD1 no hydrogen 2.637 N/A LYS 11.A N ASP 8.A O no hydrogen 3.168 N/A TRP 12.A N ASP 8.A O no hydrogen 2.985 N/A GLU 13.A N ALA 9.A O no hydrogen 2.918 N/A PHE 14.A N ALA 89.A O no hydrogen 2.844 N/A ARG 16.A NE PRO 96.A O no hydrogen 3.176 N/A ARG 16.A NH1 LYS 92.A O no hydrogen 2.903 N/A ARG 16.A NH1 PRO 96.A O no hydrogen 2.923 N/A ARG 16.A NH2 LYS 92.A O no hydrogen 3.173 N/A ARG 18.A N PRO 15.A O no hydrogen 3.231 N/A LEU 19.A N ARG 16.A O no hydrogen 3.122 N/A LYS 20.A N ASP 37.A O no hydrogen 2.853 N/A GLY 22.A N GLU 35.A O no hydrogen 2.735 N/A LEU 25.A N VAL 33.A O no hydrogen 2.701 N/A GLY 26.A N VAL 33.A O no hydrogen 3.269 N/A ARG 27.A NE GLN 32.A OE1 no hydrogen 3.060 N/A ARG 27.A NH1 GLN 32.A OE1 no hydrogen 3.021 N/A GLY 28.A N GLY 31.A O no hydrogen 2.783 N/A GLN 32.A N MET 54.A O no hydrogen 2.865 N/A GLN 32.A NE2 LEU 55.A O no hydrogen 3.062 N/A VAL 33.A N GLY 26.A O no hydrogen 2.794 N/A ILE 34.A N VAL 52.A O no hydrogen 2.913 N/A GLU 35.A N LYS 23.A O no hydrogen 2.939 N/A ALA 36.A N VAL 50.A O no hydrogen 2.934 N/A ASP 37.A N LYS 20.A O no hydrogen 2.923 N/A ALA 38.A N ARG 48.A O no hydrogen 2.803 N/A PHE 39.A N ARG 18.A O no hydrogen 2.967 N/A GLY 40.A N THR 46.A O no hydrogen 3.037 N/A THR 46.A N LYS 43.A O no hydrogen 3.165 N/A THR 46.A OG1 CYS 47.A O no hydrogen 3.454 N/A ARG 48.A N ALA 38.A O no hydrogen 2.941 N/A ARG 48.A NE ASP 42.A OD2 no hydrogen 3.070 N/A ARG 48.A NH2 THR 49.A O no hydrogen 2.916 N/A THR 49.A OG1 ASP 37.A OD2 no hydrogen 3.411 N/A VAL 50.A N ALA 36.A O no hydrogen 2.828 N/A ALA 51.A N VAL 101.A O no hydrogen 2.944 N/A VAL 52.A N ILE 34.A O no hydrogen 2.865 N/A LYS 53.A N VAL 99.A O no hydrogen 2.848 N/A LYS 53.A NZ GLU 70.A OE1 no hydrogen 3.391 N/A LYS 53.A NZ GLU 70.A OE2 no hydrogen 2.739 N/A LYS 53.A NZ ASP 174.A O no hydrogen 2.805 N/A LYS 53.A NZ PHE 175.A O no hydrogen 3.041 N/A MET 54.A N GLN 32.A O no hydrogen 3.006 N/A LYS 56.A N PHE 30.A O no hydrogen 2.738 N/A LYS 56.A NZ ALA 29.A O no hydrogen 3.132 N/A LYS 56.A NZ GLU 57.A O no hydrogen 3.115 N/A ALA 59.A N LYS 56.A O no hydrogen 3.097 N/A THR 60.A N GLU 63.A OE1 no hydrogen 2.722 N/A THR 60.A OG1 GLU 63.A OE1 no hydrogen 2.680 N/A SER 62.A OG THR 60.A OG1 no hydrogen 2.673 N/A SER 62.A OG GLU 63.A OE1 no hydrogen 3.373 N/A SER 62.A OG GLU 63.A OE2 no hydrogen 3.234 N/A GLU 63.A N THR 60.A O no hydrogen 3.164 N/A HIS 64.A N THR 60.A O no hydrogen 3.317 N/A ARG 65.A N HIS 61.A O no hydrogen 2.832 N/A ALA 66.A N SER 62.A O no hydrogen 3.087 N/A LEU 67.A N GLU 63.A O no hydrogen 2.991 N/A MET 68.A N HIS 64.A O no hydrogen 2.987 N/A SER 69.A N ARG 65.A O no hydrogen 2.984 N/A SER 69.A OG ALA 66.A O no hydrogen 2.631 N/A GLU 70.A N ALA 66.A O no hydrogen 2.995 N/A LEU 71.A N LEU 67.A O no hydrogen 2.992 N/A LYS 72.A N MET 68.A O no hydrogen 2.986 N/A LYS 72.A NZ GLU 3.A O no hydrogen 3.564 N/A ILE 73.A N SER 69.A O no hydrogen 2.890 N/A LEU 74.A N GLU 70.A O no hydrogen 3.052 N/A ILE 75.A N LEU 71.A O no hydrogen 3.078 N/A HIS 76.A N LYS 72.A O no hydrogen 3.011 N/A HIS 76.A NE2 ARG 150.A O no hydrogen 2.881 N/A ILE 77.A N ILE 73.A O no hydrogen 2.838 N/A GLY 78.A N LEU 74.A O no hydrogen 3.103 N/A ASN 82.A N HIS 80.A ND1 no hydrogen 2.966 N/A ASN 82.A ND2 GLN 139.A OE1 no hydrogen 2.907 N/A ASN 82.A ND2 VAL 170.A O no hydrogen 2.942 N/A VAL 83.A N HIS 80.A O no hydrogen 3.249 N/A VAL 84.A N ILE 172.A O no hydrogen 2.829 N/A ASN 85.A N GLU 102.A OE2 no hydrogen 3.023 N/A ASN 85.A ND2 HIS 80.A O no hydrogen 3.283 N/A LEU 87.A N ILE 100.A O no hydrogen 2.816 N/A GLY 88.A N ILE 100.A O no hydrogen 3.352 N/A ALA 89.A N TRP 12.A O no hydrogen 2.999 N/A CYS 90.A N MET 98.A O no hydrogen 2.842 N/A CYS 90.A SG PHE 14.A O no hydrogen 3.246 N/A THR 91.A N GLU 13.A OE1 no hydrogen 2.723 N/A THR 91.A OG1 GLU 13.A OE1 no hydrogen 3.464 N/A THR 91.A OG1 GLU 13.A OE2 no hydrogen 2.624 N/A LYS 92.A N GLU 13.A OE1 no hydrogen 3.146 N/A MET 98.A N CYS 90.A O no hydrogen 2.998 N/A VAL 99.A N LYS 53.A O no hydrogen 2.906 N/A ILE 100.A N GLY 88.A O no hydrogen 2.889 N/A VAL 101.A N ALA 51.A O no hydrogen 2.829 N/A GLU 102.A N ASN 85.A O no hydrogen 2.991 N/A CYS 104.A SG GLU 102.A O no hydrogen 3.998 N/A PHE 106.A N LEU 164.A O no hydrogen 2.884 N/A GLY 107.A N CYS 104.A O no hydrogen 3.074 N/A ASN 108.A ND2 THR 111.A OG1 no hydrogen 2.922 N/A LEU 109.A N ILE 162.A O no hydrogen 2.758 N/A SER 110.A N ALA 159.A O no hydrogen 3.381 N/A THR 111.A N ASN 108.A OD1 no hydrogen 2.976 N/A TYR 112.A N ASN 108.A O no hydrogen 3.230 N/A LEU 113.A N LEU 109.A O no hydrogen 2.912 N/A ARG 114.A N SER 110.A O no hydrogen 3.155 N/A ARG 114.A NH2 SER 110.A OG no hydrogen 2.757 N/A ARG 114.A NH2 GLY 230.A O no hydrogen 2.712 N/A SER 115.A N TYR 112.A O no hydrogen 2.986 N/A SER 115.A OG TYR 112.A O no hydrogen 2.603 N/A LYS 116.A N LEU 113.A O no hydrogen 3.032 N/A LYS 116.A NZ GLU 119.A OE2 no hydrogen 2.680 N/A LYS 116.A NZ ASP 126.A O no hydrogen 2.656 N/A ARG 117.A NE LEU 229.A O no hydrogen 2.993 N/A ARG 117.A NH1 LEU 229.A O no hydrogen 3.194 N/A GLU 119.A N LYS 116.A O no hydrogen 2.926 N/A VAL 121.A N LEU 128.A O no hydrogen 2.927 N/A LYS 125.A NZ ASP 126.A OD1 no hydrogen 3.432 N/A LYS 125.A NZ ASP 126.A OD2 no hydrogen 2.874 N/A PHE 127.A N TYR 124.A O no hydrogen 3.431 N/A LEU 128.A N GLU 119.A O no hydrogen 2.831 N/A THR 129.A N HIS 132.A ND1 no hydrogen 3.043 N/A THR 129.A OG1 HIS 132.A ND1 no hydrogen 2.666 N/A LEU 130.A N PRO 122.A O no hydrogen 3.113 N/A HIS 132.A ND1 THR 129.A OG1 no hydrogen 2.666 N/A LEU 133.A N THR 129.A O no hydrogen 3.222 N/A ILE 134.A N LEU 130.A O no hydrogen 2.988 N/A CYS 135.A N GLU 131.A O no hydrogen 2.826 N/A TYR 136.A N HIS 132.A O no hydrogen 2.821 N/A TYR 136.A OH ASN 168.A OD1 no hydrogen 2.922 N/A SER 137.A N LEU 133.A O no hydrogen 3.143 N/A SER 137.A OG LEU 133.A O no hydrogen 2.907 N/A PHE 138.A N ILE 134.A O no hydrogen 2.897 N/A GLN 139.A N CYS 135.A O no hydrogen 2.960 N/A GLN 139.A NE2 CYS 135.A O no hydrogen 3.594 N/A GLN 139.A NE2 ASN 168.A O no hydrogen 2.767 N/A VAL 140.A N TYR 136.A O no hydrogen 2.959 N/A ALA 141.A N SER 137.A O no hydrogen 3.042 N/A LYS 142.A N PHE 138.A O no hydrogen 2.936 N/A GLY 143.A N GLN 139.A O no hydrogen 2.936 N/A MET 144.A N VAL 140.A O no hydrogen 2.876 N/A GLU 145.A N ALA 141.A O no hydrogen 2.831 N/A PHE 146.A N LYS 142.A O no hydrogen 3.023 N/A LEU 147.A N GLY 143.A O no hydrogen 2.915 N/A ALA 148.A N MET 144.A O no hydrogen 2.937 N/A SER 149.A N GLU 145.A O no hydrogen 3.099 N/A SER 149.A OG PHE 146.A O no hydrogen 2.601 N/A ARG 150.A N PHE 146.A O no hydrogen 3.235 N/A ARG 150.A N LEU 147.A O no hydrogen 3.049 N/A ARG 150.A NH2 HIS 76.A O no hydrogen 2.909 N/A LYS 151.A N ALA 148.A O no hydrogen 2.992 N/A CYS 152.A N LEU 147.A O no hydrogen 3.224 N/A CYS 152.A SG ARG 150.A O no hydrogen 3.537 N/A HIS 154.A N ASP 215.A OD1 no hydrogen 2.716 N/A HIS 154.A NE2 CYS 173.A O no hydrogen 2.751 N/A ARG 155.A N ASP 215.A OD2 no hydrogen 3.063 N/A ASP 156.A N HIS 154.A ND1 no hydrogen 3.050 N/A ALA 159.A N GLU 225.A OE2 no hydrogen 2.883 N/A ARG 160.A NE TYR 187.A OH no hydrogen 2.829 N/A ARG 160.A NH2 ASP 156.A OD2 no hydrogen 2.918 N/A ASN 161.A N ALA 158.A O no hydrogen 2.892 N/A ASN 161.A ND2 ASP 156.A O no hydrogen 2.761 N/A ILE 162.A N ALA 159.A O no hydrogen 3.097 N/A LEU 163.A N LYS 171.A O no hydrogen 2.800 N/A LEU 164.A N GLY 107.A O no hydrogen 2.898 N/A SER 165.A N VAL 169.A O no hydrogen 2.808 N/A VAL 169.A N GLU 166.A O no hydrogen 3.391 N/A VAL 170.A N GLN 139.A OE1 no hydrogen 3.019 N/A LYS 171.A N LEU 163.A O no hydrogen 2.794 N/A LYS 171.A NZ LEU 81.A O no hydrogen 2.860 N/A LYS 171.A NZ GLU 102.A OE1 no hydrogen 3.378 N/A LYS 171.A NZ GLU 102.A OE2 no hydrogen 2.902 N/A ILE 172.A N ASN 82.A O no hydrogen 2.874 N/A CYS 173.A N ASN 161.A O no hydrogen 2.999 N/A CYS 173.A SG ASN 161.A O no hydrogen 3.474 N/A PHE 175.A N ASN 161.A OD1 no hydrogen 3.161 N/A GLY 176.A N ASP 174.A OD2 no hydrogen 2.848 N/A ALA 178.A N PHE 175.A O no hydrogen 2.937 N/A ARG 179.A N GLY 176.A O no hydrogen 3.152 N/A ARG 179.A NH1 ASN 161.A OD1 no hydrogen 2.956 N/A ARG 179.A NH2 ASN 161.A OD1 no hydrogen 3.104 N/A LYS 183.A N ASP 180.A O no hydrogen 3.111 N/A LYS 183.A N ASP 180.A OD1 no hydrogen 3.308 N/A ASP 184.A N ASP 180.A O no hydrogen 2.821 N/A ASP 186.A N ASP 184.A OD2 no hydrogen 2.945 N/A TYR 187.A N ASP 184.A O no hydrogen 3.176 N/A TYR 187.A OH ASP 156.A OD1 no hydrogen 2.593 N/A VAL 188.A N LEU 195.A O no hydrogen 2.763 N/A LYS 190.A N ALA 193.A O no hydrogen 2.875 N/A LEU 195.A N VAL 188.A O no hydrogen 2.859 N/A LEU 197.A N LEU 195.A O no hydrogen 2.872 N/A LYS 198.A NZ SER 232.A OG no hydrogen 2.687 N/A LYS 198.A NZ PRO 233.A O no hydrogen 2.944 N/A TRP 199.A N PRO 196.A O no hydrogen 2.921 N/A TRP 199.A NE1 GLU 225.A OE2 no hydrogen 2.826 N/A MET 200.A N LEU 197.A O no hydrogen 3.134 N/A GLU 203.A N GLU 203.A OE1 no hydrogen 2.888 N/A THR 204.A N ALA 201.A O no hydrogen 2.987 N/A THR 204.A OG1 VAL 209.A O no hydrogen 2.769 N/A ILE 205.A N ALA 201.A O no hydrogen 3.008 N/A PHE 206.A N PRO 202.A O no hydrogen 2.832 N/A ASP 207.A N GLU 203.A O no hydrogen 2.954 N/A VAL 209.A N GLU 203.A O no hydrogen 3.271 N/A THR 211.A N SER 214.A OG no hydrogen 2.880 N/A GLN 213.A N THR 211.A OG1 no hydrogen 3.090 N/A GLN 213.A NE2 PRO 275.A O no hydrogen 3.065 N/A GLN 213.A NE2 PRO 279.A O no hydrogen 3.239 N/A SER 214.A N THR 211.A OG1 no hydrogen 3.261 N/A SER 214.A OG THR 211.A O no hydrogen 2.725 N/A ASP 215.A N THR 211.A O no hydrogen 3.126 N/A VAL 216.A N ILE 212.A O no hydrogen 3.043 N/A TRP 217.A N GLN 213.A O no hydrogen 3.305 N/A SER 218.A N SER 214.A O no hydrogen 3.177 N/A SER 218.A OG TRP 199.A O no hydrogen 2.709 N/A SER 218.A OG SER 214.A O no hydrogen 3.364 N/A PHE 219.A N ASP 215.A O no hydrogen 2.818 N/A GLY 220.A N VAL 216.A O no hydrogen 3.042 N/A VAL 221.A N TRP 217.A O no hydrogen 3.229 N/A LEU 222.A N SER 218.A O no hydrogen 2.841 N/A LEU 223.A N PHE 219.A O no hydrogen 2.811 N/A TRP 224.A N GLY 220.A O no hydrogen 3.056 N/A TRP 224.A NE1 ARG 254.A O no hydrogen 3.003 N/A GLU 225.A N VAL 221.A O no hydrogen 2.903 N/A ILE 226.A N LEU 222.A O no hydrogen 2.883 N/A PHE 227.A N LEU 223.A O no hydrogen 2.968 N/A SER 228.A OG TRP 224.A O no hydrogen 2.916 N/A SER 228.A OG GLU 225.A O no hydrogen 3.044 N/A LEU 229.A N ILE 226.A O no hydrogen 3.068 N/A GLY 230.A N GLU 225.A O no hydrogen 2.753 N/A ALA 231.A N SER 228.A OG no hydrogen 3.116 N/A VAL 237.A N TYR 234.A O no hydrogen 3.198 N/A PHE 243.A N ASP 240.A OD2 no hydrogen 3.106 N/A CYS 244.A N ASP 240.A O no hydrogen 3.310 N/A CYS 244.A SG ASP 240.A O no hydrogen 3.522 N/A ARG 245.A N GLU 241.A O no hydrogen 3.011 N/A ARG 246.A N GLU 242.A O no hydrogen 2.983 N/A LEU 247.A N PHE 243.A O no hydrogen 2.942 N/A LYS 248.A N CYS 244.A O no hydrogen 3.146 N/A GLU 249.A N ARG 245.A O no hydrogen 3.010 N/A GLY 250.A N ARG 246.A O no hydrogen 3.063 N/A GLY 250.A N LEU 247.A O no hydrogen 3.251 N/A THR 251.A N ARG 246.A O no hydrogen 2.954 N/A THR 251.A OG1 ARG 246.A O no hydrogen 3.056 N/A ARG 252.A NE TRP 271.A O no hydrogen 2.886 N/A ARG 252.A NH1 LEU 247.A O no hydrogen 2.814 N/A ARG 252.A NH1 THR 251.A O no hydrogen 2.912 N/A ARG 252.A NH2 TRP 271.A O no hydrogen 2.837 N/A ARG 254.A NH2 ALA 255.A O no hydrogen 2.778 N/A ARG 254.A NH2 ASP 257.A OD2 no hydrogen 3.551 N/A TYR 258.A N PHE 227.A O no hydrogen 2.914 N/A THR 259.A N PRO 256.A O no hydrogen 3.402 N/A THR 259.A OG1 THR 260.A O no hydrogen 2.837 N/A MET 263.A N THR 260.A OG1 no hydrogen 3.180 N/A TYR 264.A N THR 260.A O no hydrogen 3.066 N/A TYR 264.A OH MET 253.A O no hydrogen 2.673 N/A GLN 265.A N PRO 261.A O no hydrogen 3.078 N/A GLN 265.A NE2 ASP 269.A OD2 no hydrogen 3.023 N/A THR 266.A N GLU 262.A O no hydrogen 2.979 N/A THR 266.A OG1 GLU 262.A O no hydrogen 2.794 N/A THR 266.A OG1 HIS 287.A NE2 no hydrogen 3.282 N/A MET 267.A N MET 263.A O no hydrogen 3.056 N/A LEU 268.A N TYR 264.A O no hydrogen 3.039 N/A ASP 269.A N GLN 265.A O no hydrogen 2.883 N/A CYS 270.A N THR 266.A O no hydrogen 2.996 N/A CYS 270.A SG THR 266.A O no hydrogen 3.371 N/A TRP 271.A N MET 267.A O no hydrogen 3.044 N/A TRP 271.A N LEU 268.A O no hydrogen 3.158 N/A HIS 272.A N ASP 269.A O no hydrogen 3.269 N/A GLU 274.A N HIS 272.A ND1 no hydrogen 3.027 N/A SER 276.A OG GLU 274.A OE2 no hydrogen 3.527 N/A GLN 277.A N GLU 274.A O no hydrogen 2.926 N/A ARG 278.A N PRO 275.A O no hydrogen 3.291 N/A ARG 278.A NE HIS 272.A O no hydrogen 2.738 N/A ARG 278.A NH1 GLU 203.A OE2 no hydrogen 2.779 N/A ARG 278.A NH1 GLN 213.A O no hydrogen 2.912 N/A ARG 278.A NH2 GLU 203.A OE1 no hydrogen 2.878 N/A ARG 278.A NH2 HIS 272.A O no hydrogen 3.164 N/A THR 280.A N GLU 283.A OE1 no hydrogen 2.948 N/A THR 280.A OG1 GLU 283.A OE1 no hydrogen 3.535 N/A SER 282.A OG GLU 145.A OE2 no hydrogen 2.813 N/A GLU 283.A N THR 280.A OG1 no hydrogen 3.139 N/A LEU 284.A N THR 280.A O no hydrogen 2.936 N/A VAL 285.A N PHE 281.A O no hydrogen 2.843 N/A GLU 286.A N SER 282.A O no hydrogen 3.177 N/A HIS 287.A N GLU 283.A O no hydrogen 2.933 N/A LEU 288.A N LEU 284.A O no hydrogen 2.827 N/A GLY 289.A N VAL 285.A O no hydrogen 2.949 N/A ASN 290.A N GLU 286.A O no hydrogen 3.077 N/A LEU 291.A N HIS 287.A O no hydrogen 2.946 N/A LEU 292.A N LEU 288.A O no hydrogen 2.870 N/A GLN 293.A N GLY 289.A O no hydrogen 3.090 N/A ALA 294.A N ASN 290.A O no hydrogen 2.928 N/A ASN 295.A N LEU 291.A O no hydrogen 3.028 N/A ALA 296.A N LEU 292.A O no hydrogen 3.264 N/A