Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r9r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH1 ASP 77.A O no hydrogen 2.774 N/A ARG 4.A NH2 ASP 77.A O no hydrogen 3.418 N/A ARG 4.A NH2 ASP 78.A O no hydrogen 2.829 N/A ARG 4.A NH2 ILE 81.A O no hydrogen 2.842 N/A SER 6.A N ASP 9.A OD2 no hydrogen 3.034 N/A ASP 9.A N SER 6.A O no hydrogen 2.932 N/A TYR 10.A N LEU 7.A O no hydrogen 3.087 N/A TYR 10.A OH ARG 80.A O no hydrogen 2.703 N/A GLN 11.A N ARG 23.A O no hydrogen 3.320 N/A VAL 13.A N LEU 21.A O no hydrogen 3.048 N/A ALA 14.A N LEU 21.A O no hydrogen 3.357 N/A GLY 16.A N ARG 19.A O no hydrogen 2.816 N/A ARG 19.A NH1 ASP 215.A OD1 no hydrogen 2.754 N/A GLU 20.A N VAL 32.A O no hydrogen 2.954 N/A LEU 21.A N ALA 14.A O no hydrogen 2.943 N/A TYR 22.A N LEU 30.A O no hydrogen 2.900 N/A TYR 22.A OH GLU 20.A OE1 no hydrogen 3.090 N/A ARG 23.A N GLN 11.A O no hydrogen 2.743 N/A ARG 23.A NH2 ASP 26.A OD1 no hydrogen 3.330 N/A VAL 24.A N HIS 28.A O no hydrogen 2.926 N/A ASP 25.A N HIS 28.A O no hydrogen 3.227 N/A GLU 27.A N ASP 25.A OD1 no hydrogen 2.955 N/A HIS 28.A N ASP 25.A O no hydrogen 3.473 N/A HIS 28.A ND1 ASP 25.A OD1 no hydrogen 2.826 N/A LEU 29.A N VAL 92.A O no hydrogen 2.931 N/A LEU 30.A N TYR 22.A O no hydrogen 2.769 N/A PHE 31.A N LEU 90.A O no hydrogen 2.885 N/A VAL 32.A N GLU 20.A O no hydrogen 2.905 N/A ALA 33.A N ARG 88.A O no hydrogen 2.791 N/A THR 34.A N VAL 18.A O no hydrogen 2.921 N/A THR 34.A OG1 VAL 18.A O no hydrogen 2.720 N/A ARG 36.A N THR 34.A OG1 no hydrogen 3.116 N/A ARG 36.A NE LYS 17.A O no hydrogen 2.762 N/A ARG 36.A NH2 GLY 16.A O no hydrogen 3.420 N/A ARG 36.A NH2 LYS 17.A O no hydrogen 2.935 N/A SER 38.A OG PHE 42.A O no hydrogen 3.454 N/A ALA 39.A N PHE 42.A O no hydrogen 2.925 N/A PHE 42.A N ALA 39.A O no hydrogen 2.937 N/A LEU 44.A N ILE 37.A O no hydrogen 2.917 N/A ILE 48.A N ASP 35.A O no hydrogen 2.889 N/A ASP 50.A N ASP 35.A OD2 no hydrogen 3.380 N/A LYS 51.A N ILE 48.A O no hydrogen 3.055 N/A LYS 51.A NZ ARG 36.A O no hydrogen 2.755 N/A LYS 51.A NZ ASP 221.A OD2 no hydrogen 2.770 N/A GLY 52.A N ASP 35.A OD1 no hydrogen 2.881 N/A ARG 53.A NE ILE 293.A O no hydrogen 2.935 N/A ARG 53.A NH1 ASP 50.A OD1 no hydrogen 2.871 N/A ARG 53.A NH2 TRP 292.A O no hydrogen 3.076 N/A ARG 53.A NH2 ILE 293.A O no hydrogen 3.058 N/A ILE 54.A N ASP 50.A O no hydrogen 2.872 N/A LEU 55.A N LYS 51.A O no hydrogen 2.822 N/A THR 56.A N GLY 52.A O no hydrogen 2.953 N/A THR 56.A OG1 GLY 52.A O no hydrogen 2.801 N/A ALA 57.A N ARG 53.A O no hydrogen 2.958 N/A MET 58.A N ILE 54.A O no hydrogen 2.957 N/A SER 59.A N LEU 55.A O no hydrogen 2.982 N/A SER 59.A OG VAL 217.A O no hydrogen 3.387 N/A VAL 60.A N THR 56.A O no hydrogen 2.941 N/A PHE 61.A N ALA 57.A O no hydrogen 2.977 N/A PHE 62.A N MET 58.A O no hydrogen 3.014 N/A PHE 63.A N SER 59.A O no hydrogen 2.881 N/A GLY 64.A N VAL 60.A O no hydrogen 3.086 N/A LEU 65.A N PHE 61.A O no hydrogen 3.011 N/A LEU 66.A N PHE 62.A O no hydrogen 2.949 N/A HIS 71.A N LEU 213.A O no hydrogen 2.953 N/A LEU 72.A N ASN 70.A OD1 no hydrogen 2.965 N/A ALA 73.A N LEU 91.A O no hydrogen 2.811 N/A ASP 78.A N PRO 75.A O no hydrogen 3.022 N/A ARG 80.A N ASP 78.A OD1 no hydrogen 2.930 N/A ARG 80.A NE ASP 78.A OD1 no hydrogen 3.036 N/A ARG 80.A NH2 ALA 73.A O no hydrogen 3.439 N/A ARG 80.A NH2 ASP 78.A OD2 no hydrogen 3.134 N/A ILE 81.A N ASP 78.A O no hydrogen 2.943 N/A VAL 85.A N PRO 82.A O no hydrogen 3.161 N/A LEU 86.A N GLU 83.A O no hydrogen 3.098 N/A ARG 88.A N VAL 85.A O no hydrogen 2.943 N/A ARG 88.A NH1 ALA 33.A O no hydrogen 3.108 N/A LEU 90.A N PHE 31.A O no hydrogen 2.907 N/A VAL 92.A N LEU 29.A O no hydrogen 2.901 N/A ARG 93.A N HIS 71.A O no hydrogen 2.780 N/A ARG 93.A NH2 ASN 70.A O no hydrogen 2.863 N/A ARG 94.A N GLU 27.A O no hydrogen 2.784 N/A ARG 94.A NE ASP 26.A O no hydrogen 3.295 N/A ASP 96.A N VAL 205.A O no hydrogen 3.059 N/A LEU 98.A N PHE 203.A O no hydrogen 2.868 N/A VAL 100.A N LEU 98.A O no hydrogen 2.855 N/A GLU 101.A N ALA 145.A O no hydrogen 2.879 N/A CYS 102.A N PHE 201.A O no hydrogen 2.870 N/A CYS 102.A SG VAL 100.A O no hydrogen 3.950 N/A ALA 104.A N THR 199.A O no hydrogen 3.049 N/A ARG 105.A N LEU 141.A O no hydrogen 2.859 N/A ARG 105.A NE THR 143.A OG1 no hydrogen 2.958 N/A GLY 106.A N ALA 197.A O no hydrogen 2.931 N/A TYR 107.A N ALA 197.A O no hydrogen 3.181 N/A LEU 108.A N SER 135.A O no hydrogen 2.845 N/A THR 109.A OG1 GLU 133.A OE2 no hydrogen 2.649 N/A LEU 113.A N THR 109.A O no hydrogen 3.128 N/A LEU 114.A N GLY 110.A O no hydrogen 3.099 N/A ASP 115.A N SER 111.A O no hydrogen 2.937 N/A TYR 116.A N GLY 112.A O no hydrogen 3.003 N/A TYR 116.A OH PRO 128.A O no hydrogen 2.600 N/A GLN 117.A N LEU 113.A O no hydrogen 2.772 N/A ARG 118.A N LEU 114.A O no hydrogen 2.945 N/A THR 119.A N ASP 115.A O no hydrogen 2.883 N/A THR 119.A OG1 ASP 115.A O no hydrogen 2.708 N/A GLY 120.A N TYR 116.A O no hydrogen 2.707 N/A ALA 121.A N THR 119.A OG1 no hydrogen 3.121 N/A VAL 122.A N HIS 125.A O no hydrogen 2.972 N/A CYS 123.A SG PRO 144.A O no hydrogen 3.593 N/A CYS 123.A SG VAL 157.A O no hydrogen 3.260 N/A HIS 125.A N VAL 122.A O no hydrogen 2.812 N/A HIS 125.A NE2 PHE 142.A O no hydrogen 2.932 N/A LEU 127.A N GLY 120.A O no hydrogen 3.214 N/A LEU 131.A N TYR 116.A OH no hydrogen 3.068 N/A GLY 132.A N SER 135.A OG no hydrogen 2.908 N/A ALA 134.A N LEU 108.A O no hydrogen 2.887 N/A SER 135.A N GLY 132.A O no hydrogen 3.034 N/A SER 135.A OG GLY 132.A O no hydrogen 3.169 N/A LEU 137.A N GLY 106.A O no hydrogen 2.721 N/A LEU 141.A N ARG 105.A O no hydrogen 2.949 N/A THR 143.A N VAL 103.A O no hydrogen 2.765 N/A THR 143.A OG1 VAL 103.A O no hydrogen 3.537 N/A THR 143.A OG1 THR 143.A O no hydrogen 2.671 N/A ALA 145.A N GLU 101.A O no hydrogen 3.023 N/A THR 146.A N MET 155.A O no hydrogen 2.834 N/A MET 155.A N THR 146.A O no hydrogen 2.935 N/A ASN 156.A ND2 SER 111.A OG no hydrogen 3.116 N/A ASN 156.A ND2 ASP 115.A OD2 no hydrogen 2.894 N/A VAL 157.A N PRO 144.A O no hydrogen 2.908 N/A ALA 161.A N ASP 158.A OD1 no hydrogen 3.034 N/A VAL 162.A N ASP 158.A O no hydrogen 3.328 N/A VAL 163.A N PHE 159.A O no hydrogen 2.910 N/A GLY 164.A N ALA 160.A O no hydrogen 2.956 N/A LEU 165.A N ALA 161.A O no hydrogen 3.095 N/A LEU 165.A N VAL 162.A O no hydrogen 2.932 N/A VAL 166.A N VAL 162.A O no hydrogen 2.994 N/A GLY 167.A N VAL 163.A O no hydrogen 2.851 N/A ARG 170.A NH1 GLN 173.A OE1 no hydrogen 2.941 N/A ARG 170.A NH1 GLY 209.A O no hydrogen 3.111 N/A ARG 170.A NH2 GLY 209.A O no hydrogen 2.903 N/A ALA 171.A N GLY 167.A O no hydrogen 2.893 N/A ASN 172.A N ALA 168.A O no hydrogen 3.115 N/A GLN 173.A N VAL 169.A O no hydrogen 3.063 N/A LEU 174.A N ARG 170.A O no hydrogen 2.855 N/A ARG 175.A N ALA 171.A O no hydrogen 2.965 N/A ARG 175.A NE.A ASP 176.A OD1 no hydrogen 3.029 N/A ARG 175.A NH2.A ASP 176.A OD1 no hydrogen 3.391 N/A ARG 175.A NH2.A ASP 176.A OD2 no hydrogen 3.533 N/A ASP 176.A N ASN 172.A O no hydrogen 2.962 N/A GLU 177.A N GLN 173.A O no hydrogen 2.910 N/A THR 178.A N LEU 174.A O no hydrogen 2.982 N/A THR 178.A OG1 LEU 174.A O no hydrogen 2.718 N/A ILE 179.A N ARG 175.A O no hydrogen 3.115 N/A LYS 180.A N ASP 176.A O no hydrogen 2.998 N/A ILE 181.A N GLU 177.A O no hydrogen 2.932 N/A TYR 182.A N THR 178.A O no hydrogen 2.978 N/A TYR 182.A OH LEU 196.A O no hydrogen 2.616 N/A THR 183.A N ILE 179.A O no hydrogen 2.909 N/A THR 183.A OG1 ILE 179.A O no hydrogen 2.722 N/A ARG 184.A N LYS 180.A O no hydrogen 3.154 N/A ALA 185.A N ILE 181.A O no hydrogen 3.054 N/A ALA 186.A N TYR 182.A O no hydrogen 2.762 N/A ALA 187.A N THR 183.A O no hydrogen 3.138 N/A HIS 188.A N ARG 184.A O no hydrogen 3.162 N/A HIS 188.A NE2 ILE 284.A O no hydrogen 2.820 N/A ALA 189.A N ALA 185.A O no hydrogen 2.988 N/A LEU 190.A N ALA 186.A O no hydrogen 2.998 N/A HIS 191.A N ALA 187.A O no hydrogen 3.099 N/A LYS 192.A N ALA 189.A O no hydrogen 2.886 N/A GLY 193.A N LEU 190.A O no hydrogen 2.861 N/A ILE 194.A N ALA 189.A O no hydrogen 3.095 N/A ILE 195.A N TRP 226.A O no hydrogen 2.943 N/A ALA 197.A N ARG 224.A O no hydrogen 2.820 N/A THR 199.A N ALA 104.A O no hydrogen 3.032 N/A THR 199.A OG1 SER 222.A O no hydrogen 3.505 N/A THR 199.A OG1 SER 223.A OG no hydrogen 2.745 N/A LYS 200.A N SER 222.A O no hydrogen 2.838 N/A LYS 200.A NZ ASP 154.A OD2 no hydrogen 3.301 N/A PHE 201.A N CYS 102.A O no hydrogen 2.808 N/A GLY 204.A N VAL 212.A O no hydrogen 2.901 N/A VAL 205.A N ASP 96.A O no hydrogen 2.876 N/A ASP 206.A N ASN 210.A O no hydrogen 3.109 N/A GLY 209.A N ASP 206.A O no hydrogen 2.892 N/A ASN 210.A N ASP 206.A OD1 no hydrogen 2.931 N/A ASN 210.A ND2 ASP 206.A OD2 no hydrogen 3.056 N/A VAL 212.A N GLY 204.A O no hydrogen 2.856 N/A LEU 213.A N PRO 69.A O no hydrogen 3.030 N/A ALA 214.A N.A GLU 202.A O no hydrogen 3.002 N/A ALA 214.A N.B GLU 202.A O no hydrogen 2.992 N/A VAL 217.A N SER 59.A OG no hydrogen 2.991 N/A THR 219.A N SER 222.A OG no hydrogen 3.169 N/A THR 219.A OG1 GLU 216.A OE1 no hydrogen 2.669 N/A THR 219.A OG1 SER 222.A OG no hydrogen 3.419 N/A SER 222.A N THR 219.A O no hydrogen 3.162 N/A SER 222.A N THR 219.A OG1 no hydrogen 3.083 N/A SER 222.A OG THR 219.A O no hydrogen 3.402 N/A SER 222.A OG THR 219.A OG1 no hydrogen 3.419 N/A SER 222.A OG SER 223.A OG no hydrogen 3.280 N/A SER 223.A OG THR 199.A OG1 no hydrogen 2.745 N/A SER 223.A OG THR 219.A O no hydrogen 3.059 N/A SER 223.A OG SER 222.A OG no hydrogen 3.280 N/A ARG 224.A N ASP 198.A OD1 no hydrogen 3.150 N/A ARG 224.A NH1 ASP 198.A OD2 no hydrogen 2.842 N/A TYR 225.A OH PHE 218.A O no hydrogen 2.602 N/A TRP 226.A N ILE 195.A O no hydrogen 2.947 N/A ALA 228.A N GLY 193.A O no hydrogen 2.922 N/A ALA 229.A N ASP 227.A OD1 no hydrogen 3.060 N/A HIS 230.A N ASP 227.A O no hydrogen 3.251 N/A TYR 231.A N ALA 228.A O no hydrogen 3.076 N/A TYR 231.A OH ALA 134.A O no hydrogen 2.605 N/A GLY 234.A N GLU 133.A O no hydrogen 2.680 N/A GLN 237.A NE2 VAL 235.A O no hydrogen 2.751 N/A SER 239.A N GLN 243.A OE1 no hydrogen 3.010 N/A SER 239.A OG ASP 241.A OD1 no hydrogen 2.885 N/A PHE 240.A N TYR 225.A O no hydrogen 2.873 N/A ASP 241.A N ASP 241.A OD1 no hydrogen 2.646 N/A LYS 242.A N SER 239.A OG no hydrogen 2.881 N/A LYS 242.A NZ ASP 221.A OD1 no hydrogen 3.239 N/A LYS 242.A NZ ASP 241.A OD2 no hydrogen 2.553 N/A GLN 243.A N SER 239.A O no hydrogen 3.239 N/A GLN 243.A NE2 ASN 247.A OD1 no hydrogen 2.844 N/A ARG 246.A N LYS 242.A O no hydrogen 2.913 N/A ARG 246.A NH1 GLN 243.A OE1 no hydrogen 3.020 N/A ASN 247.A N GLN 243.A O no hydrogen 2.885 N/A TRP 248.A N PHE 244.A O no hydrogen 3.102 N/A LEU 249.A N VAL 245.A O no hydrogen 3.011 N/A THR 250.A N ARG 246.A O no hydrogen 3.033 N/A THR 250.A OG1 ARG 246.A O no hydrogen 2.885 N/A GLY 251.A N TRP 248.A O no hydrogen 3.226 N/A SER 254.A OG TRP 248.A O no hydrogen 3.539 N/A SER 254.A OG LEU 249.A O no hydrogen 2.464 N/A SER 254.A OG GLY 251.A O no hydrogen 3.518 N/A TRP 256.A N SER 254.A OG no hydrogen 3.416 N/A SER 260.A N ASP 257.A O no hydrogen 2.894 N/A LEU 265.A N THR 46.A OG1 no hydrogen 2.919 N/A ALA 270.A N PRO 266.A O no hydrogen 3.153 N/A VAL 271.A N ASP 267.A O no hydrogen 2.968 N/A ALA 272.A N GLU 268.A O no hydrogen 3.158 N/A THR 273.A N VAL 269.A O no hydrogen 2.998 N/A THR 273.A OG1 VAL 269.A O no hydrogen 2.749 N/A ARG 274.A N ALA 270.A O no hydrogen 2.988 N/A ARG 274.A NE ASP 50.A OD2 no hydrogen 2.759 N/A ARG 274.A NH2 ASP 50.A OD2 no hydrogen 3.102 N/A GLU 275.A N VAL 271.A O no hydrogen 3.027 N/A ARG 276.A N ALA 272.A O no hydrogen 3.050 N/A ARG 276.A NE PHE 240.A O no hydrogen 2.876 N/A ARG 276.A NH1 GLU 279.A OE1 no hydrogen 3.116 N/A TYR 277.A N THR 273.A O no hydrogen 3.038 N/A TYR 277.A OH ASP 241.A OD2 no hydrogen 3.268 N/A ILE 278.A N ARG 274.A O no hydrogen 3.092 N/A GLU 279.A N GLU 275.A O no hydrogen 2.952 N/A ALA 280.A N ARG 276.A O no hydrogen 3.041 N/A TYR 281.A N TYR 277.A O no hydrogen 2.962 N/A GLU 282.A N ILE 278.A O no hydrogen 2.926 N/A ARG 283.A N GLU 279.A O no hydrogen 2.924 N/A ARG 283.A NH1 GLU 279.A OE2 no hydrogen 3.153 N/A ARG 283.A NH2 LYS 192.A O no hydrogen 3.073 N/A ILE 284.A N ALA 280.A O no hydrogen 3.057 N/A SER 285.A N TYR 281.A O no hydrogen 2.853 N/A SER 285.A OG TYR 281.A O no hydrogen 2.734 N/A GLY 286.A N GLU 282.A O no hydrogen 2.912 N/A LEU 287.A N SER 285.A OG no hydrogen 2.954 N/A SER 288.A OG SER 290.A OG no hydrogen 2.700 N/A PHE 289.A N GLU 282.A OE2 no hydrogen 2.847 N/A SER 290.A OG SER 288.A OG no hydrogen 2.700 N/A ASP 291.A N SER 288.A O no hydrogen 3.109 N/A TRP 292.A N PHE 289.A O no hydrogen 2.878 N/A TRP 292.A NE1 GLY 87.A O no hydrogen 2.919 N/A