Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kcb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N ASP 1.A O no hydrogen 3.002 N/A LEU 5.A N ILE 2.A O no hydrogen 2.951 N/A ARG 7.A NE GLU 33.A OE2 no hydrogen 3.066 N/A ARG 7.A NH2 GLU 33.A OE2 no hydrogen 3.241 N/A ARG 7.A NH2 GLU 75.A OE1 no hydrogen 2.987 N/A VAL 8.A N VAL 31.A O no hydrogen 3.099 N/A VAL 10.A N GLU 33.A O no hydrogen 3.041 N/A PHE 17.A N LYS 14.A O no hydrogen 3.077 N/A GLN 23.A NE2 TYR 165.A O no hydrogen 2.818 N/A ALA 25.A N ARG 152.A O no hydrogen 3.027 N/A THR 27.A OG1 GLY 28.A O no hydrogen 3.286 N/A ARG 30.A N ASP 72.A OD1 no hydrogen 3.043 N/A VAL 31.A N PRO 6.A O no hydrogen 2.981 N/A VAL 32.A N TYR 73.A O no hydrogen 2.754 N/A GLU 33.A N VAL 8.A O no hydrogen 2.978 N/A PHE 34.A N GLU 75.A O no hydrogen 2.922 N/A MET 36.A N ARG 77.A O no hydrogen 2.999 N/A THR 37.A N ASN 58.A OD1 no hydrogen 2.915 N/A ILE 38.A N ILE 79.A O no hydrogen 2.817 N/A GLU 39.A N THR 56.A O no hydrogen 2.861 N/A GLU 40.A N ASN 84.A OD1 no hydrogen 3.079 N/A LYS 41.A N ALA 54.A O no hydrogen 2.872 N/A LYS 41.A NZ GLY 59.A O no hydrogen 3.224 N/A LEU 43.A N ILE 52.A O no hydrogen 2.779 N/A ILE 45.A N THR 50.A O no hydrogen 2.878 N/A GLY 49.A N ASP 46.A O no hydrogen 3.120 N/A THR 50.A N ASP 46.A OD1 no hydrogen 2.802 N/A THR 50.A OG1 ASP 46.A OD1 no hydrogen 3.162 N/A THR 50.A OG1 ASP 46.A OD2 no hydrogen 2.642 N/A ILE 52.A N LEU 43.A O no hydrogen 2.782 N/A ALA 54.A N LYS 41.A O no hydrogen 2.663 N/A MET 55.A N SER 141.A O no hydrogen 3.044 N/A THR 56.A N GLU 39.A O no hydrogen 2.950 N/A THR 56.A OG1 GLU 39.A O no hydrogen 2.886 N/A ASN 58.A N THR 37.A O no hydrogen 2.712 N/A SER 60.A OG PRO 62.A O no hydrogen 2.715 N/A GLY 63.A N ASN 144.A O no hydrogen 2.883 N/A MET 66.A N ALA 146.A O no hydrogen 3.232 N/A VAL 68.A N MET 148.A O no hydrogen 2.951 N/A HIS 69.A N ASP 72.A OD2 no hydrogen 2.939 N/A GLU 70.A N LEU 150.A O no hydrogen 2.872 N/A ASN 71.A N ALA 119.A O no hydrogen 2.741 N/A ASP 72.A N HIS 69.A O no hydrogen 2.991 N/A TYR 73.A N ARG 30.A O no hydrogen 2.837 N/A VAL 74.A N PHE 117.A O no hydrogen 2.808 N/A GLU 75.A N VAL 32.A O no hydrogen 2.890 N/A LEU 76.A N LEU 115.A O no hydrogen 2.729 N/A ARG 77.A N PHE 34.A O no hydrogen 2.933 N/A ARG 77.A NE GLU 112.A OE2 no hydrogen 2.764 N/A ARG 77.A NH2 GLU 112.A OE1 no hydrogen 3.043 N/A LEU 78.A N THR 113.A O no hydrogen 2.795 N/A ILE 79.A N MET 36.A O no hydrogen 3.001 N/A ASN 80.A N GLU 111.A O no hydrogen 2.918 N/A ASN 80.A ND2 LEU 86.A O no hydrogen 3.124 N/A ASN 80.A ND2 VAL 107.A O no hydrogen 2.819 N/A ASN 84.A N PRO 81.A O no hydrogen 3.101 N/A ASN 84.A ND2 ILE 38.A O no hydrogen 3.062 N/A ASN 84.A ND2 ASN 80.A OD1 no hydrogen 2.710 N/A THR 85.A N GLU 40.A OE1 no hydrogen 2.914 N/A THR 85.A OG1 GLU 40.A OE1 no hydrogen 2.976 N/A LEU 86.A N GLU 40.A OE2 no hydrogen 2.930 N/A HIS 88.A N VAL 107.A O no hydrogen 3.144 N/A HIS 88.A NE2 GLU 40.A OE2 no hydrogen 2.633 N/A ASN 89.A ND2 GLY 102.A O no hydrogen 2.951 N/A ASN 89.A ND2 ALA 130.A O no hydrogen 2.975 N/A ILE 90.A N THR 105.A OG1 no hydrogen 2.982 N/A ASP 91.A N HIS 128.A O no hydrogen 2.777 N/A PHE 92.A N GLY 100.A O no hydrogen 2.899 N/A HIS 93.A N VAL 126.A O no hydrogen 2.940 N/A ALA 95.A N PHE 92.A O no hydrogen 3.095 N/A GLY 101.A N ALA 98.A O no hydrogen 2.827 N/A GLY 102.A N LEU 99.A O no hydrogen 3.109 N/A ALA 103.A N ALA 98.A O no hydrogen 3.218 N/A LEU 104.A N GLY 101.A O no hydrogen 2.982 N/A THR 105.A OG1 ILE 90.A O no hydrogen 3.255 N/A THR 105.A OG1 GLY 101.A O no hydrogen 2.816 N/A GLN 106.A NE2 GLY 102.A O no hydrogen 3.080 N/A VAL 107.A N HIS 88.A O no hydrogen 2.885 N/A ASN 108.A N GLU 111.A OE1 no hydrogen 2.759 N/A GLY 110.A N ASN 80.A O no hydrogen 2.624 N/A GLU 111.A N ASN 108.A O no hydrogen 2.931 N/A THR 113.A N LEU 78.A O no hydrogen 2.960 N/A LEU 115.A N LEU 76.A O no hydrogen 2.852 N/A ARG 116.A NH1 GLU 75.A OE1 no hydrogen 3.413 N/A PHE 117.A N VAL 74.A O no hydrogen 2.926 N/A ALA 119.A N ASP 72.A O no hydrogen 3.094 N/A THR 120.A N LYS 118.A O no hydrogen 2.964 N/A GLY 123.A N VAL 149.A O no hydrogen 2.737 N/A VAL 124.A N GLY 261.A O no hydrogen 2.828 N/A PHE 125.A N ILE 147.A O no hydrogen 2.803 N/A TYR 127.A N GLY 145.A O no hydrogen 3.083 N/A TYR 127.A OH PRO 64.A O no hydrogen 2.731 N/A HIS 128.A N ASP 91.A O no hydrogen 2.908 N/A HIS 128.A ND1 CYS 129.A O no hydrogen 2.851 N/A CYS 129.A N MET 143.A O no hydrogen 3.064 N/A CYS 129.A SG ASN 89.A O no hydrogen 3.616 N/A CYS 129.A SG ASN 89.A OD1 no hydrogen 3.551 N/A CYS 129.A SG HIS 138.A ND1 no hydrogen 3.396 N/A ALA 130.A N ASN 89.A OD1 no hydrogen 2.715 N/A MET 134.A N PRO 131.A O no hydrogen 3.013 N/A HIS 138.A N MET 134.A O no hydrogen 3.228 N/A VAL 139.A N VAL 135.A O no hydrogen 2.967 N/A THR 140.A N PRO 136.A O no hydrogen 2.846 N/A THR 140.A OG1 PRO 136.A O no hydrogen 2.762 N/A SER 141.A N HIS 138.A O no hydrogen 3.225 N/A SER 141.A OG TRP 137.A O no hydrogen 2.680 N/A GLY 142.A N VAL 139.A O no hydrogen 3.178 N/A MET 143.A N HIS 138.A O no hydrogen 3.248 N/A ASN 144.A N GLY 142.A O no hydrogen 3.027 N/A ASN 144.A ND2 VAL 139.A O no hydrogen 3.119 N/A ASN 144.A ND2 GLN 174.A OE1 no hydrogen 2.843 N/A GLY 145.A N TYR 127.A O no hydrogen 2.782 N/A ILE 147.A N PHE 125.A O no hydrogen 2.839 N/A MET 148.A N MET 66.A O no hydrogen 2.677 N/A VAL 149.A N GLY 123.A O no hydrogen 2.749 N/A LEU 150.A N VAL 68.A O no hydrogen 2.971 N/A ARG 152.A NH1 THR 27.A O no hydrogen 2.949 N/A ARG 152.A NH2 THR 27.A O no hydrogen 2.680 N/A GLY 154.A N PRO 151.A O no hydrogen 3.091 N/A LYS 156.A NZ ASP 153.A O no hydrogen 2.729 N/A LYS 156.A NZ ASP 153.A OD2 no hydrogen 2.761 N/A ASP 157.A N GLN 161.A O no hydrogen 2.659 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 2.668 N/A LYS 159.A N ASP 157.A OD1 no hydrogen 2.788 N/A LYS 159.A NZ GLN 161.A OE1 no hydrogen 3.209 N/A GLY 160.A N ASP 157.A O no hydrogen 2.999 N/A GLN 161.A N ASP 157.A OD1 no hydrogen 2.782 N/A LEU 163.A N LEU 155.A O no hydrogen 2.894 N/A TYR 165.A N GLN 23.A OE1 no hydrogen 3.212 N/A ASP 166.A N ARG 233.A O no hydrogen 2.725 N/A LYS 167.A N ARG 233.A O no hydrogen 3.246 N/A LYS 167.A NZ GLU 232.A OE2 no hydrogen 2.931 N/A TYR 169.A N LEU 235.A O no hydrogen 3.031 N/A TYR 169.A OH THR 227.A O no hydrogen 2.855 N/A TYR 170.A N PRO 16.A O no hydrogen 2.817 N/A TYR 170.A OH SER 239.A OG no hydrogen 2.845 N/A VAL 171.A N VAL 237.A O no hydrogen 2.745 N/A GLU 173.A N SER 239.A O no hydrogen 3.049 N/A GLN 174.A N VAL 212.A O no hydrogen 2.736 N/A GLN 174.A NE2 VAL 139.A O no hydrogen 3.354 N/A GLN 174.A NE2 ASP 175.A O no hydrogen 3.055 N/A ASP 175.A N ASP 175.A OD1 no hydrogen 2.611 N/A PHE 176.A N HIS 210.A O no hydrogen 2.774 N/A TYR 177.A OH ASP 175.A OD2 no hydrogen 2.622 N/A VAL 178.A N THR 209.A OG1 no hydrogen 2.973 N/A ASP 181.A N ASN 185.A O no hydrogen 2.778 N/A GLY 184.A N ASP 181.A O no hydrogen 3.212 N/A GLY 184.A N ASP 181.A OD1 no hydrogen 2.927 N/A ASN 185.A N ASP 181.A OD1 no hydrogen 2.847 N/A ASN 185.A ND2 ASP 181.A OD2 no hydrogen 3.464 N/A LYS 187.A N PRO 179.A O no hydrogen 2.930 N/A LYS 187.A NZ ASP 198.A OD2 no hydrogen 3.318 N/A TYR 189.A OH ASP 198.A OD2 no hydrogen 2.496 N/A GLU 190.A N GLU 194.A OE1 no hydrogen 3.122 N/A GLU 194.A N THR 191.A O no hydrogen 3.161 N/A ALA 195.A N PRO 192.A O no hydrogen 3.008 N/A TYR 196.A N GLY 193.A O no hydrogen 3.144 N/A ALA 199.A N ALA 195.A O no hydrogen 2.741 N/A VAL 200.A N TYR 196.A O no hydrogen 3.026 N/A LYS 201.A N GLU 197.A O no hydrogen 3.440 N/A ALA 202.A N ASP 198.A O no hydrogen 3.048 N/A MET 203.A N ALA 199.A O no hydrogen 2.990 N/A ARG 204.A N VAL 200.A O no hydrogen 3.186 N/A THR 205.A N ALA 202.A O no hydrogen 3.313 N/A THR 205.A OG1 ALA 202.A O no hydrogen 2.799 N/A LEU 206.A N MET 203.A O no hydrogen 2.800 N/A THR 207.A N THR 205.A OG1 no hydrogen 3.077 N/A THR 207.A OG1 THR 205.A O no hydrogen 3.178 N/A THR 209.A N PHE 176.A O no hydrogen 2.816 N/A THR 209.A OG1 PHE 176.A O no hydrogen 3.224 N/A THR 209.A OG1 HIS 210.A ND1 no hydrogen 2.879 N/A HIS 210.A N PHE 176.A O no hydrogen 3.433 N/A HIS 210.A ND1 THR 209.A OG1 no hydrogen 2.879 N/A HIS 210.A NE2 ASP 46.A OD2 no hydrogen 2.997 N/A ILE 211.A N LEU 307.A O no hydrogen 3.155 N/A VAL 212.A N GLN 174.A O no hydrogen 2.902 N/A ASN 214.A N GLY 172.A O no hydrogen 3.025 N/A VAL 217.A N ILE 45.A O no hydrogen 2.905 N/A ALA 219.A N ALA 216.A O no hydrogen 3.130 N/A THR 221.A OG1 GLY 218.A O no hydrogen 2.680 N/A HIS 224.A N THR 221.A O no hydrogen 2.834 N/A ALA 225.A N GLY 222.A O no hydrogen 3.314 N/A LEU 226.A N HIS 312.A O no hydrogen 2.791 N/A THR 227.A N TYR 169.A OH no hydrogen 3.206 N/A THR 227.A OG1 TYR 169.A OH no hydrogen 3.390 N/A ALA 228.A N LYS 314.A O no hydrogen 3.225 N/A ALA 229.A N GLU 232.A OE1 no hydrogen 3.031 N/A VAL 230.A N THR 316.A O no hydrogen 2.825 N/A GLY 231.A N PHE 288.A O no hydrogen 2.759 N/A GLU 232.A N ALA 229.A O no hydrogen 2.982 N/A ARG 233.A N ASP 166.A OD2 no hydrogen 2.936 N/A ARG 233.A NH1 ASP 166.A OD2 no hydrogen 3.337 N/A VAL 234.A N TYR 286.A O no hydrogen 2.833 N/A LEU 235.A N LYS 167.A O no hydrogen 2.932 N/A VAL 236.A N ALA 284.A O no hydrogen 2.800 N/A VAL 237.A N TYR 169.A O no hydrogen 2.921 N/A HIS 238.A N GLY 282.A O no hydrogen 2.995 N/A HIS 238.A ND1 TYR 296.A OH no hydrogen 2.735 N/A HIS 238.A NE2 GLU 173.A OE1 no hydrogen 2.869 N/A SER 239.A N VAL 171.A O no hydrogen 3.194 N/A SER 239.A OG TYR 170.A OH no hydrogen 2.845 N/A GLN 240.A N THR 280.A O no hydrogen 3.205 N/A GLN 240.A NE2 ASP 175.A OD1 no hydrogen 3.088 N/A ASN 242.A N GLN 240.A OE1 no hydrogen 2.947 N/A ASN 242.A ND2 ASP 175.A OD2 no hydrogen 3.044 N/A ARG 243.A N GLN 240.A OE1 no hydrogen 3.066 N/A ARG 243.A NH1 GLU 303.A OE1 no hydrogen 3.258 N/A ARG 243.A NH1 GLU 303.A OE2 no hydrogen 3.022 N/A ARG 243.A NH2 GLU 303.A OE2 no hydrogen 2.714 N/A THR 245.A N ILE 276.A O no hydrogen 3.055 N/A THR 245.A OG1 GLU 173.A OE1 no hydrogen 2.557 N/A THR 245.A OG1 GLU 173.A OE2 no hydrogen 3.277 N/A ARG 246.A NH1 ASN 298.A OD1 no hydrogen 3.009 N/A ARG 246.A NH1 GLU 303.A OE1 no hydrogen 3.537 N/A HIS 248.A N VAL 297.A O no hydrogen 2.792 N/A HIS 248.A ND1 THR 273.A OG1 no hydrogen 2.776 N/A GLU 250.A N ALA 295.A O no hydrogen 2.771 N/A GLY 252.A N LEU 249.A O no hydrogen 2.899 N/A GLY 254.A N GLN 271.A O no hydrogen 2.894 N/A TYR 256.A N PHE 285.A O no hydrogen 3.194 N/A VAL 257.A N ASP 268.A O no hydrogen 2.803 N/A TRP 258.A N ALA 283.A O no hydrogen 2.840 N/A TRP 258.A NE1 ASN 265.A O no hydrogen 2.958 N/A GLY 261.A N TRP 258.A O no hydrogen 2.911 N/A LYS 262.A NZ VAL 124.A O no hydrogen 2.743 N/A LYS 262.A NZ THR 260.A O no hydrogen 2.762 N/A ASN 265.A N LYS 262.A O no hydrogen 3.203 N/A ASN 265.A ND2 LYS 262.A O no hydrogen 3.155 N/A ASP 268.A N VAL 257.A O no hydrogen 2.739 N/A ASP 270.A N ASP 255.A O no hydrogen 3.175 N/A GLN 271.A N GLY 254.A O no hydrogen 2.987 N/A GLN 271.A NE2 LEU 269.A O no hydrogen 2.920 N/A THR 273.A OG1 HIS 248.A ND1 no hydrogen 2.776 N/A TRP 274.A N PRO 247.A O no hydrogen 3.426 N/A ILE 276.A N THR 245.A O no hydrogen 2.927 N/A GLY 278.A N ASP 244.A OD1 no hydrogen 2.792 N/A GLY 279.A N GLN 240.A O no hydrogen 2.614 N/A THR 280.A N GLN 240.A O no hydrogen 3.194 N/A THR 280.A OG1 PRO 277.A O no hydrogen 2.801 N/A GLY 282.A N HIS 238.A O no hydrogen 2.848 N/A ALA 283.A N TRP 258.A O no hydrogen 3.054 N/A ALA 284.A N VAL 236.A O no hydrogen 3.022 N/A PHE 285.A N TYR 256.A O no hydrogen 2.804 N/A TYR 286.A N VAL 234.A O no hydrogen 2.980 N/A THR 287.A N ASP 255.A OD2 no hydrogen 3.249 N/A PHE 288.A N GLU 232.A O no hydrogen 3.203 N/A ARG 289.A NH2 ASP 255.A OD1 no hydrogen 2.867 N/A GLN 290.A NE2 ASN 320.A O no hydrogen 3.046 N/A GLY 292.A N VAL 315.A O no hydrogen 2.821 N/A TYR 294.A N PHE 313.A O no hydrogen 2.867 N/A TYR 294.A OH GLN 290.A O no hydrogen 2.637 N/A TYR 296.A N GLY 311.A O no hydrogen 2.964 N/A TYR 296.A OH HIS 238.A ND1 no hydrogen 2.735 N/A VAL 297.A N HIS 248.A O no hydrogen 2.853 N/A ASN 298.A N ALA 309.A O no hydrogen 3.294 N/A ASN 298.A ND2 GLU 173.A OE2 no hydrogen 2.837 N/A ASN 298.A ND2 GLU 303.A OE1 no hydrogen 2.964 N/A HIS 299.A N ARG 246.A O no hydrogen 2.731 N/A ASN 300.A N ASN 298.A OD1 no hydrogen 3.073 N/A ALA 304.A N ASN 300.A O no hydrogen 2.979 N/A PHE 305.A N LEU 301.A O no hydrogen 2.889 N/A GLU 306.A N ILE 302.A O no hydrogen 2.820 N/A LEU 307.A N ILE 302.A O no hydrogen 3.152 N/A ALA 309.A N GLU 303.A O no hydrogen 3.073 N/A ALA 310.A N GLY 308.A O no hydrogen 2.909 N/A GLY 311.A N TYR 296.A O no hydrogen 2.856 N/A HIS 312.A N LEU 220.A O no hydrogen 2.747 N/A PHE 313.A N TYR 294.A O no hydrogen 2.949 N/A LYS 314.A N LEU 226.A O no hydrogen 2.712 N/A LYS 314.A NZ GLY 222.A O no hydrogen 2.700 N/A VAL 315.A N GLY 292.A O no hydrogen 2.949 N/A THR 316.A N ALA 228.A O no hydrogen 3.075 N/A TRP 319.A NE1 MET 324.A O no hydrogen 2.950 N/A ASN 320.A N GLN 290.A OE1 no hydrogen 2.697 N/A ASP 322.A N ASN 320.A OD1 no hydrogen 2.968 N/A MET 324.A N ASN 320.A O no hydrogen 3.336 N/A THR 325.A OG1 ASP 321.A OD1 no hydrogen 2.956 N/A