Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3itb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 8.A N GLU 243.A OE2 no hydrogen 2.943 N/A ARG 10.A N GLY 233.A O no hydrogen 3.408 N/A ALA 11.A N LEU 232.A O no hydrogen 3.169 N/A TRP 12.A N GLY 26.A O no hydrogen 2.978 N/A ILE 13.A N VAL 230.A O no hydrogen 2.969 N/A LEU 14.A N ALA 24.A O no hydrogen 2.786 N/A MET 15.A N ILE 228.A O no hydrogen 2.872 N/A ASP 16.A N LYS 21.A O no hydrogen 2.882 N/A TYR 17.A N ARG 226.A O no hydrogen 2.966 N/A ALA 18.A N ASP 16.A OD1 no hydrogen 2.809 N/A SER 19.A N ASP 16.A OD1 no hydrogen 2.955 N/A SER 19.A OG THR 291.A OG1 no hydrogen 2.734 N/A GLY 20.A N ASP 16.A O no hydrogen 2.821 N/A LYS 21.A N SER 19.A OG no hydrogen 2.938 N/A LEU 23.A N LEU 14.A O no hydrogen 2.674 N/A GLY 26.A N TRP 12.A O no hydrogen 3.079 N/A ASN 27.A ND2 ARG 10.A O no hydrogen 2.774 N/A GLU 30.A N ASN 27.A O no hydrogen 3.091 N/A LYS 31.A NZ ASN 136.A OD1 no hydrogen 2.856 N/A LEU 32.A N SER 152.A O no hydrogen 2.898 N/A LEU 37.A N PRO 34.A O no hydrogen 2.918 N/A THR 38.A N ALA 35.A O no hydrogen 2.811 N/A THR 38.A OG1 ALA 35.A O no hydrogen 2.888 N/A LYS 39.A N SER 36.A O no hydrogen 2.778 N/A LYS 39.A NZ SER 36.A OG no hydrogen 2.715 N/A LYS 39.A NZ ASN 104.A OD1 no hydrogen 2.654 N/A LYS 39.A NZ HIS 143.A O no hydrogen 2.719 N/A ILE 40.A N LEU 37.A O no hydrogen 2.959 N/A THR 42.A N THR 38.A O no hydrogen 3.268 N/A THR 42.A OG1 THR 38.A O no hydrogen 3.557 N/A THR 42.A OG1 VAL 142.A O no hydrogen 2.581 N/A SER 43.A N LYS 39.A O no hydrogen 3.014 N/A SER 43.A OG GLU 171.A OE2 no hydrogen 2.656 N/A TYR 44.A N ILE 40.A O no hydrogen 2.910 N/A TYR 44.A OH ASP 167.A OD2 no hydrogen 2.659 N/A VAL 45.A N MET 41.A O no hydrogen 2.947 N/A VAL 46.A N THR 42.A O no hydrogen 3.016 N/A GLY 47.A N SER 43.A O no hydrogen 2.631 N/A GLN 48.A N TYR 44.A O no hydrogen 2.892 N/A ALA 49.A N VAL 45.A O no hydrogen 2.982 N/A LEU 50.A N VAL 46.A O no hydrogen 3.038 N/A LYS 51.A N GLY 47.A O no hydrogen 2.885 N/A LYS 51.A NZ ASP 167.A O no hydrogen 3.018 N/A ALA 52.A N GLN 48.A O no hydrogen 2.841 N/A ASP 53.A N LEU 50.A O no hydrogen 3.005 N/A LYS 54.A N ALA 49.A O no hydrogen 2.915 N/A LYS 56.A N ASP 59.A OD2 no hydrogen 2.893 N/A LYS 56.A NZ ASP 53.A OD1 no hydrogen 3.147 N/A LYS 56.A NZ ASP 53.A OD2 no hydrogen 3.452 N/A ASP 59.A N LYS 56.A O no hydrogen 3.026 N/A VAL 61.A N VAL 89.A O no hydrogen 2.810 N/A THR 62.A OG1 GLN 88.A OE1 no hydrogen 2.545 N/A VAL 63.A N ASP 87.A O no hydrogen 2.968 N/A ALA 67.A N GLY 64.A O no hydrogen 3.112 N/A ASN 72.A N ALA 69.A O no hydrogen 3.006 N/A ASN 72.A ND2 ASP 66.A O no hydrogen 2.933 N/A ALA 74.A N ASN 72.A OD1 no hydrogen 2.978 N/A LEU 75.A N ASN 72.A O no hydrogen 2.941 N/A ARG 76.A N PRO 73.A O no hydrogen 3.159 N/A SER 78.A N LEU 75.A O no hydrogen 3.067 N/A SER 78.A OG LEU 75.A O no hydrogen 2.752 N/A SER 79.A OG GLN 101.A O no hydrogen 3.152 N/A SER 79.A OG SER 102.A O no hydrogen 3.557 N/A MET 81.A N ASP 105.A OD1 no hydrogen 2.876 N/A LEU 83.A N ASP 105.A OD2 no hydrogen 3.197 N/A LYS 84.A N ASP 87.A OD2 no hydrogen 2.888 N/A LYS 84.A NZ ASP 87.A OD1 no hydrogen 3.320 N/A GLY 86.A N VAL 63.A O no hydrogen 3.000 N/A ASP 87.A N LYS 84.A O no hydrogen 2.830 N/A VAL 89.A N VAL 61.A O no hydrogen 2.968 N/A SER 90.A OG LEU 57.A O no hydrogen 3.185 N/A VAL 91.A N ASP 59.A O no hydrogen 2.955 N/A ALA 92.A N LEU 57.A O no hydrogen 2.925 N/A LEU 94.A N SER 90.A O no hydrogen 2.930 N/A ASN 95.A N VAL 91.A O no hydrogen 2.716 N/A ASN 95.A ND2 GLU 171.A OE1 no hydrogen 3.021 N/A LYS 96.A N ALA 92.A O no hydrogen 3.065 N/A GLY 97.A N ASP 93.A O no hydrogen 2.941 N/A VAL 98.A N LEU 94.A O no hydrogen 2.977 N/A ILE 99.A N ASN 95.A O no hydrogen 2.947 N/A ILE 100.A N LYS 96.A O no hydrogen 2.794 N/A GLN 101.A N LYS 96.A O no hydrogen 3.482 N/A GLY 103.A N GLY 97.A O no hydrogen 2.775 N/A ASN 104.A N SER 79.A O no hydrogen 2.804 N/A ASN 104.A ND2 SER 79.A O no hydrogen 2.836 N/A ALA 106.A N ASP 105.A OD1 no hydrogen 2.906 N/A CYS 107.A N GLY 103.A O no hydrogen 3.231 N/A CYS 107.A SG GLY 103.A O no hydrogen 3.584 N/A CYS 107.A SG VAL 142.A O no hydrogen 3.656 N/A ILE 108.A N ASN 104.A O no hydrogen 3.361 N/A ALA 109.A N ASP 105.A O no hydrogen 2.949 N/A LEU 110.A N ALA 106.A O no hydrogen 2.993 N/A ALA 111.A N CYS 107.A O no hydrogen 2.922 N/A ASP 112.A N ILE 108.A O no hydrogen 3.057 N/A TYR 113.A N ALA 109.A O no hydrogen 3.209 N/A TYR 113.A OH ASP 59.A OD2 no hydrogen 3.105 N/A VAL 114.A N LEU 110.A O no hydrogen 2.825 N/A ALA 115.A N ALA 111.A O no hydrogen 2.939 N/A GLY 116.A N ASP 112.A O no hydrogen 2.768 N/A GLN 118.A NE2 ASP 66.A OD1 no hydrogen 3.514 N/A SER 120.A N SER 117.A OG no hydrogen 3.315 N/A PHE 121.A N SER 117.A O no hydrogen 3.094 N/A ILE 122.A N GLN 118.A O no hydrogen 2.846 N/A GLY 123.A N GLU 119.A O no hydrogen 3.023 N/A LEU 124.A N SER 120.A O no hydrogen 3.159 N/A MET 125.A N PHE 121.A O no hydrogen 2.924 N/A ASN 126.A N ILE 122.A O no hydrogen 2.883 N/A ASN 126.A ND2 PHE 139.A O no hydrogen 2.841 N/A GLY 127.A N GLY 123.A O no hydrogen 2.833 N/A TYR 128.A N LEU 124.A O no hydrogen 2.966 N/A ALA 129.A N MET 125.A O no hydrogen 2.892 N/A LYS 130.A N ASN 126.A O no hydrogen 2.987 N/A LYS 130.A NZ ASN 126.A O no hydrogen 3.450 N/A LYS 131.A N GLY 127.A O no hydrogen 2.945 N/A LEU 132.A N TYR 128.A O no hydrogen 2.880 N/A GLY 133.A N LYS 130.A O no hydrogen 3.273 N/A LEU 134.A N ALA 129.A O no hydrogen 2.887 N/A ASN 136.A N ASP 156.A OD1 no hydrogen 2.839 N/A THR 137.A N LEU 134.A O no hydrogen 3.206 N/A THR 137.A OG1 SER 152.A OG no hydrogen 2.759 N/A THR 137.A OG1 ASP 156.A OD1 no hydrogen 2.663 N/A THR 138.A N PHE 151.A O.A no hydrogen 3.096 N/A THR 138.A N PHE 151.A O.B no hydrogen 3.121 N/A PHE 139.A N ASN 126.A OD1 no hydrogen 2.839 N/A GLN 140.A NE2 GLY 149.A O no hydrogen 3.155 N/A GLY 144.A N THR 141.A OG1 no hydrogen 2.871 N/A LEU 145.A N HIS 143.A ND1 no hydrogen 3.124 N/A GLN 150.A NE2 THR 141.A OG1 no hydrogen 2.924 N/A PHE 151.A N.A THR 138.A O no hydrogen 3.133 N/A PHE 151.A N.B THR 138.A O no hydrogen 3.130 N/A SER 152.A N LEU 32.A O no hydrogen 2.995 N/A SER 152.A OG THR 137.A OG1 no hydrogen 2.759 N/A ARG 155.A N ALA 28.A O no hydrogen 2.984 N/A ARG 155.A NE ASP 29.A OD1 no hydrogen 2.756 N/A ARG 155.A NH2 GLU 25.A OE2 no hydrogen 3.068 N/A ARG 155.A NH2 ASP 29.A OD1 no hydrogen 3.482 N/A ARG 155.A NH2 ASP 29.A OD2 no hydrogen 2.792 N/A ASP 156.A N THR 153.A OG1 no hydrogen 2.919 N/A MET 157.A N THR 153.A O no hydrogen 2.944 N/A ALA 158.A N ALA 154.A O no hydrogen 2.985 N/A LEU 159.A N ARG 155.A O no hydrogen 3.048 N/A LEU 160.A N ASP 156.A O no hydrogen 2.812 N/A GLY 161.A N MET 157.A O no hydrogen 2.832 N/A LYS 162.A N ALA 158.A O no hydrogen 2.923 N/A LYS 162.A NZ TYR 17.A O no hydrogen 3.315 N/A ALA 163.A N LEU 159.A O no hydrogen 2.969 N/A LEU 164.A N LEU 160.A O no hydrogen 2.874 N/A ILE 165.A N GLY 161.A O no hydrogen 3.050 N/A HIS 166.A N LYS 162.A O no hydrogen 3.000 N/A ASP 167.A N ALA 163.A O no hydrogen 2.633 N/A VAL 168.A N LEU 164.A O no hydrogen 3.185 N/A GLU 171.A N VAL 168.A O no hydrogen 2.969 N/A TYR 172.A N VAL 168.A O no hydrogen 3.043 N/A TYR 172.A OH ASP 202.A OD2 no hydrogen 2.567 N/A ALA 173.A N PRO 169.A O no hydrogen 2.919 N/A ILE 174.A N GLU 171.A O no hydrogen 3.228 N/A HIS 175.A N TYR 172.A O no hydrogen 2.923 N/A HIS 175.A ND1 GLU 171.A O no hydrogen 2.881 N/A GLU 177.A N ILE 174.A O no hydrogen 3.056 N/A PHE 180.A N GLN 187.A O no hydrogen 3.031 N/A PHE 182.A N ILE 185.A O no hydrogen 3.041 N/A ILE 185.A N PHE 182.A O no hydrogen 3.118 N/A ARG 186.A NH2 GLU 179.A OE2 no hydrogen 3.108 N/A GLN 187.A N PHE 180.A O no hydrogen 2.788 N/A ASN 189.A N LYS 178.A O no hydrogen 2.796 N/A ASN 189.A ND2 HIS 175.A O no hydrogen 3.245 N/A ASN 189.A ND2 GLU 177.A O no hydrogen 2.771 N/A ASN 191.A N ASN 189.A OD1 no hydrogen 3.005 N/A LEU 193.A N ASN 191.A OD1 no hydrogen 3.212 N/A LEU 194.A N ASN 191.A O no hydrogen 3.000 N/A TRP 195.A N ARG 192.A O no hydrogen 2.980 N/A SER 196.A N LEU 193.A O no hydrogen 3.005 N/A SER 196.A OG LEU 193.A O no hydrogen 3.513 N/A ASN 198.A ND2 GLU 245.A OE1 no hydrogen 3.058 N/A ASN 200.A ND2 THR 221.A O no hydrogen 3.002 N/A ASP 202.A N SER 219.A O no hydrogen 2.914 N/A MET 204.A N VAL 217.A O no hydrogen 2.854 N/A LYS 205.A N VAL 217.A O no hydrogen 3.001 N/A LYS 205.A NZ ILE 99.A O no hydrogen 2.802 N/A LYS 205.A NZ SER 102.A OG no hydrogen 3.377 N/A GLY 207.A N ASN 215.A O no hydrogen 3.187 N/A THR 209.A N GLY 213.A O no hydrogen 3.065 N/A ALA 212.A N THR 209.A OG1 no hydrogen 2.755 N/A GLY 213.A N THR 209.A OG1 no hydrogen 3.088 N/A TYR 214.A N ALA 234.A O no hydrogen 2.835 N/A ASN 215.A N GLY 207.A O no hydrogen 2.820 N/A ASN 215.A ND2 ASP 33.A O no hydrogen 3.264 N/A ASN 215.A ND2 PRO 34.A O no hydrogen 3.561 N/A LEU 216.A N VAL 231.A O no hydrogen 2.844 N/A VAL 217.A N LYS 205.A O no hydrogen 2.924 N/A ALA 218.A N SER 229.A O no hydrogen 2.895 N/A SER 219.A N GLY 203.A O no hydrogen 3.092 N/A SER 219.A OG LEU 227.A O no hydrogen 2.905 N/A ALA 220.A N LEU 227.A O no hydrogen 3.046 N/A THR 221.A N ASN 200.A O no hydrogen 3.029 N/A GLN 222.A N MET 225.A O no hydrogen 2.985 N/A MET 225.A N GLN 222.A O no hydrogen 2.946 N/A ARG 226.A NH1 ASP 202.A OD1 no hydrogen 3.494 N/A ARG 226.A NH1 ASP 202.A OD2 no hydrogen 2.879 N/A ARG 226.A NH1 SER 219.A OG no hydrogen 2.996 N/A ARG 226.A NH2 ASP 202.A OD1 no hydrogen 3.028 N/A LEU 227.A N ALA 220.A O no hydrogen 3.104 N/A ILE 228.A N MET 15.A O no hydrogen 2.908 N/A SER 229.A N ALA 218.A O no hydrogen 2.929 N/A VAL 230.A N ILE 13.A O no hydrogen 2.936 N/A VAL 231.A N LEU 216.A O no hydrogen 2.893 N/A LEU 232.A N ALA 11.A O no hydrogen 2.826 N/A GLY 233.A N ASN 215.A OD1 no hydrogen 2.907 N/A ALA 234.A N TYR 214.A O no hydrogen 2.935 N/A LYS 235.A NZ ALA 212.A O no hydrogen 3.158 N/A LYS 235.A NZ GLY 233.A O no hydrogen 3.200 N/A ARG 238.A NH2 ASN 242.A OD1 no hydrogen 2.825 N/A ILE 239.A N THR 236.A OG1 no hydrogen 3.040 N/A ARG 240.A N THR 236.A O no hydrogen 3.139 N/A ARG 240.A NE ASP 237.A OD1 no hydrogen 3.128 N/A ARG 240.A NH1 ASN 215.A O no hydrogen 2.906 N/A ARG 240.A NH2 ASP 237.A OD1 no hydrogen 2.387 N/A PHE 241.A N ASP 237.A O no hydrogen 3.197 N/A ASN 242.A N ARG 238.A O no hydrogen 2.806 N/A GLU 243.A N ILE 239.A O no hydrogen 2.910 N/A SER 244.A OG ARG 240.A O no hydrogen 2.774 N/A GLU 245.A N PHE 241.A O no hydrogen 2.909 N/A LYS 246.A N ASN 242.A O no hydrogen 2.900 N/A LYS 246.A NZ SER 6.A O no hydrogen 2.665 N/A LYS 246.A NZ GLU 243.A OE2 no hydrogen 3.115 N/A LEU 247.A N GLU 243.A O no hydrogen 3.097 N/A LEU 248.A N SER 244.A O no hydrogen 3.144 N/A THR 249.A N GLU 245.A O no hydrogen 2.942 N/A THR 249.A OG1 GLU 245.A O no hydrogen 3.079 N/A THR 249.A OG1 GLU 245.A OE2 no hydrogen 3.219 N/A TRP 250.A N LYS 246.A O no hydrogen 3.014 N/A GLY 251.A N LEU 247.A O no hydrogen 2.944 N/A PHE 252.A N LEU 248.A O no hydrogen 3.094 N/A ARG 253.A N THR 249.A O no hydrogen 3.067 N/A ARG 253.A N TRP 250.A O no hydrogen 3.192 N/A PHE 254.A N TRP 250.A O no hydrogen 3.228 N/A PHE 255.A N GLY 251.A O no hydrogen 3.169 N/A GLU 256.A N ILE 292.A O no hydrogen 2.885 N/A THR 257.A OG1 ASP 16.A OD2 no hydrogen 2.322 N/A VAL 258.A N VAL 290.A O no hydrogen 2.987 N/A THR 259.A OG1 SER 289.A OG no hydrogen 2.629 N/A ALA 265.A N LYS 262.A O no hydrogen 2.995 N/A PHE 267.A N LEU 282.A O no hydrogen 2.760 N/A VAL 268.A N LEU 282.A O no hydrogen 3.337 N/A THR 269.A OG1 ASN 281.A OD1 no hydrogen 3.071 N/A GLN 270.A N VAL 280.A O no hydrogen 3.012 N/A GLN 270.A NE2 THR 269.A O no hydrogen 3.169 N/A VAL 272.A N SER 278.A O no hydrogen 2.972 N/A TRP 273.A N LEU 311.A O no hydrogen 2.768 N/A ASP 276.A N GLU 342.A O no hydrogen 2.895 N/A LYS 277.A NZ GLU 339.A OE1 no hydrogen 3.446 N/A LYS 277.A NZ GLU 339.A OE2 no hydrogen 2.486 N/A SER 278.A OG GLU 279.A OE1 no hydrogen 3.401 N/A VAL 280.A N GLN 270.A O no hydrogen 2.781 N/A ASN 281.A N GLU 339.A OE1 no hydrogen 2.981 N/A LEU 282.A N VAL 268.A O no hydrogen 2.855 N/A GLY 283.A N ILE 336.A O no hydrogen 2.795 N/A ALA 287.A N ALA 284.A O no hydrogen 3.235 N/A SER 289.A OG THR 259.A OG1 no hydrogen 2.629 N/A VAL 290.A N VAL 258.A O no hydrogen 2.830 N/A THR 291.A OG1 SER 19.A OG no hydrogen 2.734 N/A ILE 292.A N GLU 256.A O no hydrogen 2.972 N/A ARG 294.A N PHE 254.A O no hydrogen 2.972 N/A ARG 294.A NE.B PHE 252.A O no hydrogen 3.288 N/A ARG 294.A NE.B PHE 255.A O no hydrogen 2.484 N/A ARG 294.A NH1.A PHE 255.A O no hydrogen 3.218 N/A GLY 295.A N GLU 256.A OE1 no hydrogen 3.400 N/A GLN 296.A N PRO 293.A O no hydrogen 3.359 N/A LYS 298.A NZ GLY 295.A O no hydrogen 2.990 N/A ASN 299.A N GLN 296.A O no hydrogen 3.057 N/A LEU 300.A N LEU 297.A O no hydrogen 2.770 N/A LYS 301.A N GLN 327.A O no hydrogen 3.138 N/A SER 303.A N ASP 325.A O no hydrogen 2.885 N/A THR 305.A N THR 323.A O no hydrogen 3.144 N/A THR 307.A OG1 VAL 321.A O no hydrogen 3.074 N/A ALA 313.A N TRP 273.A O no hydrogen 2.918 N/A LEU 315.A N VAL 341.A O no hydrogen 2.698 N/A LYS 316.A N GLN 319.A OE1 no hydrogen 2.578 N/A GLY 318.A N VAL 337.A O no hydrogen 2.788 N/A GLN 319.A N LYS 316.A O no hydrogen 2.732 N/A VAL 321.A N LEU 335.A O no hydrogen 2.996 N/A THR 323.A N THR 305.A O no hydrogen 3.236 N/A ILE 324.A N ARG 333.A O no hydrogen 2.525 N/A ASP 325.A N SER 303.A O no hydrogen 2.827 N/A PHE 326.A N GLU 331.A O no hydrogen 2.668 N/A GLN 327.A N LYS 301.A O no hydrogen 3.160 N/A ASN 329.A N ASN 299.A O no hydrogen 2.766 N/A ASN 329.A ND2 GLN 296.A OE1 no hydrogen 2.964 N/A GLU 331.A N PHE 326.A O no hydrogen 3.456 N/A GLN 332.A NE2 ASP 325.A OD2 no hydrogen 2.825 N/A ARG 333.A N ILE 324.A O no hydrogen 2.602 N/A ARG 333.A NH1 GLN 332.A O no hydrogen 3.066 N/A ARG 333.A NH2 SER 19.A O no hydrogen 2.693 N/A LEU 335.A N GLY 322.A O no hydrogen 3.009 N/A ILE 336.A N GLY 283.A O no hydrogen 2.855 N/A VAL 337.A N GLN 319.A O no hydrogen 3.067 N/A MET 338.A N ASN 281.A O no hydrogen 2.863 N/A VAL 341.A N LEU 315.A O no hydrogen 2.959 N/A GLY 344.A N PHE 274.A O no hydrogen 3.009 N/A