Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rir_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N SER 4.A OG no hydrogen 2.849 N/A TYR 3.A N SER 1.A OG no hydrogen 3.258 N/A SER 4.A N SER 1.A O no hydrogen 3.330 N/A VAL 7.A N TYR 3.A O no hydrogen 3.041 N/A LEU 8.A N SER 4.A O no hydrogen 3.064 N/A GLN 9.A N GLN 5.A O no hydrogen 2.848 N/A GLN 9.A NE2 GLN 73.A OE1 no hydrogen 2.478 N/A LEU 10.A N ASP 6.A O no hydrogen 3.311 N/A LEU 11.A N VAL 7.A O no hydrogen 2.984 N/A TYR 12.A N LEU 8.A O no hydrogen 3.065 N/A TYR 12.A OH TYR 74.A OH no hydrogen 3.109 N/A LYS 13.A N GLN 9.A O no hydrogen 2.752 N/A ASN 14.A ND2 LEU 10.A O no hydrogen 2.855 N/A LYS 15.A N TYR 12.A O no hydrogen 3.336 N/A ASN 17.A N ASN 14.A O no hydrogen 2.827 N/A ASN 17.A ND2 ASN 14.A O no hydrogen 3.346 N/A TYR 18.A OH ASP 50.A OD2 no hydrogen 2.630 N/A ILE 19.A N HIS 57.A O no hydrogen 3.012 N/A SER 23.A N SER 20.A OG no hydrogen 3.098 N/A ILE 24.A N SER 20.A O no hydrogen 3.158 N/A ALA 25.A N GLY 21.A O no hydrogen 2.895 N/A GLU 26.A N GLN 22.A O no hydrogen 3.021 N/A SER 27.A N SER 23.A O no hydrogen 3.030 N/A SER 27.A OG SER 23.A O no hydrogen 3.274 N/A LEU 28.A N ILE 24.A O no hydrogen 2.958 N/A ASN 29.A N GLU 26.A O no hydrogen 3.338 N/A ILE 30.A N ALA 25.A O no hydrogen 3.021 N/A ALA 34.A N SER 31.A OG no hydrogen 2.945 N/A VAL 35.A N SER 31.A O no hydrogen 3.288 N/A LYS 36.A N ARG 32.A O no hydrogen 3.053 N/A LYS 36.A NZ ASP 40.A OD1 no hydrogen 3.474 N/A LYS 37.A N THR 33.A O no hydrogen 3.138 N/A VAL 38.A N ALA 34.A O no hydrogen 3.076 N/A ILE 39.A N VAL 35.A O no hydrogen 3.305 N/A ASP 40.A N LYS 36.A O no hydrogen 3.127 N/A GLN 41.A N LYS 37.A O no hydrogen 2.972 N/A GLN 41.A NE2 GLU 45.A OE2 no hydrogen 3.046 N/A LEU 42.A N VAL 38.A O no hydrogen 2.982 N/A LYS 43.A N ILE 39.A O no hydrogen 3.042 N/A LYS 43.A NZ SER 51.A OG no hydrogen 2.988 N/A LEU 44.A N ASP 40.A O no hydrogen 2.854 N/A GLU 45.A N GLN 41.A O no hydrogen 2.902 N/A GLY 46.A N LYS 43.A O no hydrogen 2.875 N/A CYS 47.A N LEU 42.A O no hydrogen 3.199 N/A CYS 47.A SG LEU 42.A O no hydrogen 3.549 N/A CYS 47.A SG TYR 67.A OH no hydrogen 3.835 N/A LYS 48.A N GLN 61.A O no hydrogen 2.875 N/A ASP 50.A N LEU 58.A O no hydrogen 2.989 N/A SER 51.A OG HIS 57.A ND1 no hydrogen 2.501 N/A VAL 52.A N GLY 56.A O no hydrogen 2.831 N/A LYS 55.A N VAL 52.A O no hydrogen 2.987 N/A GLY 56.A N VAL 52.A O no hydrogen 2.965 N/A HIS 57.A N ILE 19.A O no hydrogen 2.853 N/A HIS 57.A ND1 SER 51.A OG no hydrogen 2.501 N/A LEU 58.A N ASP 50.A O no hydrogen 3.121 N/A GLN 60.A N LYS 48.A O no hydrogen 2.689 N/A GLN 61.A N LYS 48.A O no hydrogen 3.125 N/A ILE 65.A N PRO 63.A O no hydrogen 2.772 N/A TRP 66.A N ASP 113.A OD1 no hydrogen 3.189 N/A TRP 66.A N ASP 113.A OD2 no hydrogen 3.358 N/A TYR 67.A OH GLU 45.A OE1 no hydrogen 2.701 N/A GLN 68.A NE2 GLN 68.A O no hydrogen 3.635 N/A GLN 68.A NE2 ASP 72.A OD1 no hydrogen 2.692 N/A GLN 68.A NE2 SER 84.A O no hydrogen 3.507 N/A GLY 69.A N GLN 5.A OE1 no hydrogen 3.089 N/A ILE 71.A N TYR 67.A O no hydrogen 2.873 N/A ASP 72.A N GLN 68.A O no hydrogen 2.710 N/A GLN 73.A N ILE 70.A O no hydrogen 2.850 N/A TYR 74.A OH TYR 12.A OH no hydrogen 3.109 N/A THR 75.A N ILE 71.A O no hydrogen 3.086 N/A THR 75.A OG1 ASP 72.A O no hydrogen 3.293 N/A LYS 76.A N ASP 72.A O no hydrogen 3.229 N/A SER 77.A OG GLN 73.A O no hydrogen 2.860 N/A SER 77.A OG TYR 74.A O no hydrogen 3.389 N/A SER 78.A N THR 75.A O no hydrogen 2.980 N/A LEU 80.A N SER 78.A OG no hydrogen 3.121 N/A PHE 81.A N SER 78.A OG no hydrogen 2.939 N/A ASP 82.A N SER 107.A O no hydrogen 2.659 N/A GLU 85.A N PHE 109.A O no hydrogen 3.036 N/A TYR 87.A N LEU 111.A O no hydrogen 2.835 N/A TYR 87.A OH GLU 85.A OE2 no hydrogen 2.703 N/A SER 89.A OG GLU 114.A OE1 no hydrogen 2.616 N/A ILE 90.A N GLU 114.A O no hydrogen 3.306 N/A SER 92.A N ASP 91.A OD1 no hydrogen 2.623 N/A THR 93.A N GLN 115.A OE1 no hydrogen 2.608 N/A THR 93.A OG1 GLN 115.A OE1 no hydrogen 3.244 N/A THR 93.A OG1 SER 137.A OG no hydrogen 2.815 N/A GLN 94.A N SER 92.A OG no hydrogen 3.020 N/A LEU 95.A N SER 92.A OG no hydrogen 3.363 N/A ALA 96.A N SER 92.A O no hydrogen 3.029 N/A ALA 97.A N THR 93.A O no hydrogen 2.822 N/A LYS 98.A N GLN 94.A O no hydrogen 2.896 N/A LYS 98.A NZ GLU 193.A OE1 no hydrogen 2.589 N/A LYS 99.A N LEU 95.A O no hydrogen 3.145 N/A LYS 99.A N ALA 96.A O no hydrogen 3.025 N/A SER 100.A N ALA 96.A O no hydrogen 2.828 N/A SER 100.A OG GLU 85.A OE1 no hydrogen 3.233 N/A SER 100.A OG ALA 96.A O no hydrogen 3.391 N/A LEU 101.A N ALA 97.A O no hydrogen 3.017 N/A VAL 102.A N LYS 99.A O no hydrogen 3.311 N/A ASN 104.A N LEU 101.A O no hydrogen 3.368 N/A ASN 104.A ND2 SER 100.A O no hydrogen 2.713 N/A GLN 105.A NE2 GLU 202.A O no hydrogen 3.520 N/A SER 106.A N ASN 104.A OD1 no hydrogen 2.683 N/A SER 107.A N ASP 82.A OD2 no hydrogen 2.860 N/A PHE 108.A N VAL 139.A O no hydrogen 3.242 N/A ILE 110.A N SER 137.A O no hydrogen 2.997 N/A LEU 111.A N GLU 85.A O no hydrogen 2.967 N/A SER 112.A N TRP 135.A O no hydrogen 3.272 N/A SER 112.A OG TYR 87.A O no hydrogen 3.444 N/A SER 112.A OG GLU 114.A O no hydrogen 2.552 N/A ASP 113.A N TYR 87.A O no hydrogen 3.005 N/A GLU 114.A N ASP 88.A O no hydrogen 3.006 N/A GLN 115.A NE2 SER 128.A OG no hydrogen 3.019 N/A THR 116.A N ILE 90.A O no hydrogen 2.816 N/A LYS 117.A N ASP 91.A O no hydrogen 2.693 N/A ARG 119.A NH1 GLY 118.A O no hydrogen 2.905 N/A GLY 120.A N ARG 124.A O no hydrogen 2.668 N/A ARG 121.A NH1 ALA 318.A O no hydrogen 2.906 N/A ARG 121.A NH2 ALA 318.A O no hydrogen 3.158 N/A ASN 123.A N GLY 120.A O no hydrogen 3.090 N/A ARG 124.A N ARG 121.A O no hydrogen 3.067 N/A TRP 126.A N GLY 118.A O no hydrogen 3.008 N/A SER 128.A OG TRP 126.A O no hydrogen 3.210 N/A GLN 132.A N SER 129.A O no hydrogen 3.407 N/A GLN 132.A NE2 ASN 218.A OD1 no hydrogen 3.154 N/A LEU 134.A N ILE 210.A O no hydrogen 2.998 N/A MET 136.A N ILE 208.A O no hydrogen 3.091 N/A SER 137.A N ILE 110.A O no hydrogen 3.050 N/A SER 137.A OG THR 93.A OG1 no hydrogen 2.815 N/A SER 137.A OG GLN 94.A OE1 no hydrogen 3.394 N/A VAL 138.A N CYS 206.A O no hydrogen 2.637 N/A VAL 139.A N PHE 108.A O no hydrogen 2.948 N/A LEU 140.A N ILE 204.A O no hydrogen 3.007 N/A ARG 141.A NE SER 106.A O no hydrogen 2.675 N/A ARG 141.A NH1 GLU 202.A O no hydrogen 2.995 N/A ARG 141.A NH2 LEU 101.A O no hydrogen 3.328 N/A ARG 141.A NH2 SER 106.A O no hydrogen 2.962 N/A MET 148.A N ALA 145.A O no hydrogen 3.342 N/A ILE 149.A N PHE 146.A O no hydrogen 3.124 N/A SER 150.A OG SER 147.A O no hydrogen 3.426 N/A LYS 151.A N MET 148.A O no hydrogen 3.120 N/A LYS 151.A NZ PHE 258.A O no hydrogen 2.767 N/A LYS 151.A NZ LEU 261.A O no hydrogen 3.393 N/A PHE 152.A N MET 148.A O no hydrogen 3.062 N/A ASN 153.A N ILE 149.A O no hydrogen 3.255 N/A LEU 154.A N LYS 151.A O no hydrogen 2.960 N/A PHE 155.A N LYS 151.A O no hydrogen 3.274 N/A ILE 156.A N PHE 152.A O no hydrogen 2.920 N/A ALA 157.A N ASN 153.A O no hydrogen 3.154 N/A GLY 159.A N PHE 155.A O no hydrogen 3.241 N/A ILE 160.A N ILE 156.A O no hydrogen 2.898 N/A ARG 161.A N ALA 157.A O no hydrogen 2.913 N/A ARG 161.A NE ASP 162.A OD1 no hydrogen 3.332 N/A ARG 161.A NH1 GLN 165.A OE1 no hydrogen 3.163 N/A ARG 161.A NH1 VAL 172.A O no hydrogen 2.917 N/A ARG 161.A NH2 ASP 162.A OD1 no hydrogen 2.754 N/A ASP 162.A N LEU 158.A O no hydrogen 2.935 N/A ILE 164.A N ILE 160.A O no hydrogen 3.171 N/A GLN 165.A N ARG 161.A O no hydrogen 2.816 N/A GLN 165.A NE2 GLN 165.A O no hydrogen 3.047 N/A GLN 165.A NE2 SER 168.A O no hydrogen 3.073 N/A GLN 165.A NE2 ASP 170.A O no hydrogen 2.921 N/A HIS 166.A N ASP 162.A O no hydrogen 3.123 N/A PHE 167.A N ILE 164.A O no hydrogen 3.001 N/A SER 168.A N ILE 164.A O no hydrogen 3.069 N/A SER 168.A N GLN 165.A O no hydrogen 3.126 N/A SER 168.A OG ASP 170.A O no hydrogen 2.637 N/A GLN 169.A N HIS 233.A O no hydrogen 2.807 N/A GLN 169.A NE2 ASP 234.A OD1 no hydrogen 3.538 N/A ASP 170.A N SER 168.A OG no hydrogen 2.872 N/A VAL 172.A N GLN 165.A OE1 no hydrogen 2.985 N/A LYS 173.A N TYR 181.A O no hydrogen 2.797 N/A LYS 173.A NZ ALA 272.A O no hydrogen 3.100 N/A VAL 174.A N ALA 273.A O no hydrogen 2.842 N/A LYS 175.A N ASP 179.A O no hydrogen 2.769 N/A LYS 175.A NZ TYR 181.A OH no hydrogen 3.271 N/A LYS 175.A NZ ILE 320.A O no hydrogen 2.664 N/A ASN 178.A ND2 PHE 190.A O no hydrogen 2.778 N/A ASP 179.A N LYS 175.A O no hydrogen 2.985 N/A ILE 180.A N CYS 188.A O no hydrogen 3.098 N/A TYR 181.A N LYS 173.A O no hydrogen 2.792 N/A ILE 182.A N GLY 185.A O no hydrogen 2.779 N/A GLY 185.A N ILE 182.A O no hydrogen 2.797 N/A LYS 186.A N ARG 226.A O no hydrogen 2.834 N/A LYS 186.A NZ ASP 179.A OD1 no hydrogen 2.808 N/A VAL 187.A N ILE 180.A O no hydrogen 2.890 N/A CYS 188.A N ILE 180.A O no hydrogen 3.291 N/A CYS 188.A SG GLY 209.A O no hydrogen 3.398 N/A GLY 189.A N GLY 209.A O no hydrogen 2.999 N/A PHE 190.A N ASN 178.A O no hydrogen 3.158 N/A LEU 191.A N GLY 207.A O no hydrogen 2.759 N/A THR 192.A OG1 ASN 153.A OD1 no hydrogen 2.541 N/A GLU 193.A N ILE 205.A O no hydrogen 2.831 N/A VAL 195.A N ALA 203.A O no hydrogen 3.009 N/A ASN 197.A N GLY 200.A O no hydrogen 2.829 N/A ASP 199.A N ASN 197.A OD1 no hydrogen 2.741 N/A GLY 200.A N ASN 197.A O no hydrogen 3.066 N/A GLU 202.A N VAL 195.A O no hydrogen 2.662 N/A ALA 203.A N VAL 195.A O no hydrogen 3.181 N/A ILE 204.A N LEU 140.A O no hydrogen 2.927 N/A ILE 205.A N GLU 193.A O no hydrogen 2.856 N/A CYS 206.A N VAL 138.A O no hydrogen 2.775 N/A CYS 206.A SG LEU 191.A O no hydrogen 3.837 N/A CYS 206.A SG THR 192.A OG1 no hydrogen 3.674 N/A GLY 207.A N LEU 191.A O no hydrogen 2.775 N/A ILE 208.A N MET 136.A O no hydrogen 2.790 N/A GLY 209.A N GLY 189.A O no hydrogen 3.076 N/A ILE 210.A N LEU 134.A O no hydrogen 2.956 N/A ASN 211.A N VAL 187.A O no hydrogen 2.951 N/A ASN 211.A ND2 LYS 186.A O no hydrogen 3.620 N/A ASN 211.A ND2 THR 228.A O no hydrogen 3.257 N/A LEU 212.A N GLN 132.A O no hydrogen 2.795 N/A THR 213.A N GLN 132.A O no hydrogen 3.019 N/A THR 213.A OG1 GLY 131.A O no hydrogen 3.238 N/A GLN 214.A N GLN 214.A OE1 no hydrogen 2.770 N/A GLN 214.A NE2 ASN 211.A OD1 no hydrogen 3.220 N/A GLN 215.A N ASN 218.A OD1 no hydrogen 3.108 N/A GLU 217.A N GLU 217.A OE1 no hydrogen 2.787 N/A ASN 218.A N GLN 215.A O no hydrogen 2.758 N/A PHE 219.A N LEU 216.A O no hydrogen 3.147 N/A ILE 223.A N ASP 220.A O no hydrogen 2.739 N/A ARG 224.A NE LEU 216.A O no hydrogen 2.919 N/A ARG 224.A NE PHE 219.A O no hydrogen 3.273 N/A ARG 224.A NH2 PHE 219.A O no hydrogen 2.935 N/A ARG 226.A N ILE 223.A O no hydrogen 2.792 N/A THR 228.A N LYS 186.A O no hydrogen 3.370 N/A THR 228.A OG1 HIS 233.A NE2 no hydrogen 2.869 N/A SER 229.A OG GLN 214.A O no hydrogen 2.796 N/A ILE 230.A N ASN 211.A O no hydrogen 2.903 N/A GLN 231.A N LEU 212.A O no hydrogen 2.780 N/A GLN 231.A NE2 GLN 231.A O no hydrogen 3.003 N/A GLN 231.A NE2 ASP 234.A O no hydrogen 2.938 N/A GLN 231.A NE2 ASN 236.A O no hydrogen 2.943 N/A HIS 233.A N ILE 230.A O no hydrogen 2.990 N/A HIS 233.A ND1 ASP 170.A OD1 no hydrogen 2.991 N/A HIS 233.A NE2 THR 228.A OG1 no hydrogen 2.869 N/A ASP 234.A N GLN 231.A O no hydrogen 3.022 N/A LYS 235.A N GLN 169.A OE1 no hydrogen 2.769 N/A LYS 237.A NZ LEU 238.A O no hydrogen 3.523 N/A LEU 238.A N GLN 231.A OE1 no hydrogen 2.776 N/A ARG 240.A NE ASP 64.A OD1 no hydrogen 2.971 N/A ARG 240.A NH1 ASP 113.A OD1 no hydrogen 3.185 N/A TYR 241.A N ASP 239.A OD2 no hydrogen 3.191 N/A TYR 241.A OH ILE 65.A O no hydrogen 2.502 N/A GLN 242.A N ASP 239.A OD2 no hydrogen 3.174 N/A PHE 243.A N ASP 239.A O no hydrogen 3.134 N/A LEU 244.A N ARG 240.A O no hydrogen 3.130 N/A GLU 245.A N TYR 241.A O no hydrogen 3.277 N/A ARG 246.A N GLN 242.A O no hydrogen 3.192 N/A ARG 246.A NE GLU 250.A OE1 no hydrogen 2.907 N/A ARG 246.A NH2 GLU 250.A OE1 no hydrogen 2.854 N/A LEU 247.A N PHE 243.A O no hydrogen 2.989 N/A LEU 248.A N LEU 244.A O no hydrogen 2.903 N/A GLN 249.A N GLU 245.A O no hydrogen 3.033 N/A GLU 250.A N ARG 246.A O no hydrogen 2.962 N/A ILE 251.A N LEU 247.A O no hydrogen 3.000 N/A GLU 252.A N LEU 248.A O no hydrogen 2.921 N/A LYS 253.A N GLN 249.A O no hydrogen 2.984 N/A LYS 253.A NZ GLU 250.A OE2 no hydrogen 3.190 N/A ARG 254.A N GLU 250.A O no hydrogen 2.795 N/A ARG 254.A NE GLN 257.A OE1 no hydrogen 3.521 N/A ARG 254.A NH2 GLU 269.A OE1 no hydrogen 2.838 N/A ARG 254.A NH2 GLU 269.A OE2 no hydrogen 3.265 N/A TYR 255.A N ILE 251.A O no hydrogen 2.809 N/A TYR 255.A N GLU 252.A O no hydrogen 3.128 N/A ASN 256.A N GLU 252.A O no hydrogen 3.034 N/A GLN 257.A N LYS 253.A O no hydrogen 3.178 N/A PHE 258.A N ARG 254.A O no hydrogen 3.124 N/A LEU 259.A N TYR 255.A O no hydrogen 3.075 N/A THR 260.A N ASN 256.A O no hydrogen 2.841 N/A THR 260.A N GLN 257.A O no hydrogen 3.037 N/A THR 260.A OG1 ASN 256.A O no hydrogen 2.977 N/A GLU 265.A N PRO 262.A O no hydrogen 3.137 N/A ILE 266.A N PHE 263.A O no hydrogen 3.006 N/A ARG 267.A N SER 264.A O no hydrogen 3.217 N/A ARG 267.A NE LEU 297.A O no hydrogen 2.671 N/A ARG 267.A NH1 ASP 296.A OD1 no hydrogen 3.553 N/A ARG 267.A NH2 GLU 268.A OE2 no hydrogen 3.477 N/A TYR 270.A N ILE 266.A O no hydrogen 2.860 N/A TYR 270.A N ARG 267.A O no hydrogen 3.005 N/A ASN 271.A N ARG 267.A O no hydrogen 2.992 N/A ALA 272.A N GLU 268.A O no hydrogen 3.170 N/A ALA 273.A N TYR 270.A O no hydrogen 3.012 N/A SER 274.A N ASN 271.A O no hydrogen 3.169 N/A SER 274.A OG TYR 270.A O no hydrogen 2.711 N/A SER 274.A OG ASN 271.A O no hydrogen 3.501 N/A ASN 275.A N VAL 174.A O no hydrogen 3.226 N/A ARG 279.A NH1 ASN 275.A O no hydrogen 3.269 N/A LEU 281.A N GLY 292.A O no hydrogen 3.004 N/A LEU 282.A N ASP 321.A O no hydrogen 2.814 N/A PHE 283.A N PHE 290.A O no hydrogen 2.855 N/A GLU 285.A N LYS 288.A O no hydrogen 3.056 N/A ASN 286.A ND2 ASN 286.A O no hydrogen 3.436 N/A PHE 290.A N PHE 283.A O no hydrogen 3.112 N/A GLY 292.A N LEU 281.A O no hydrogen 3.185 N/A GLN 293.A N ARG 306.A O no hydrogen 2.881 N/A ILE 295.A N ILE 304.A O no hydrogen 2.828 N/A ASP 298.A N TYR 302.A O no hydrogen 2.960 N/A ASP 300.A N ASP 298.A OD1 no hydrogen 3.247 N/A GLY 301.A N ASP 298.A O no hydrogen 2.839 N/A TYR 302.A N ASP 298.A OD1 no hydrogen 2.791 N/A LEU 303.A N LEU 315.A O no hydrogen 2.686 N/A ILE 304.A N ASP 296.A O no hydrogen 2.639 N/A VAL 305.A N HIS 313.A O no hydrogen 2.858 N/A ARG 306.A N GLN 293.A O no hydrogen 2.944 N/A ASP 307.A N GLU 311.A O no hydrogen 2.977 N/A ALA 309.A N ASP 307.A OD2 no hydrogen 2.962 N/A GLY 310.A N ASP 307.A O no hydrogen 3.035 N/A GLU 311.A N ASP 307.A OD2 no hydrogen 2.952 N/A HIS 313.A N VAL 305.A O no hydrogen 2.825 N/A HIS 313.A NE2 ASP 307.A OD1 no hydrogen 2.831 N/A ARG 314.A NE ASP 298.A OD2 no hydrogen 2.872 N/A ARG 314.A NH2 ASP 298.A OD2 no hydrogen 2.824 N/A LEU 315.A N LEU 303.A O no hydrogen 2.686 N/A ASP 321.A N LEU 282.A O no hydrogen 2.985 N/A