Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kdj_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N VAL 264.A O no hydrogen 2.860 N/A THR 5.A N VAL 262.A O no hydrogen 2.941 N/A SER 6.A OG SER 261.A OG no hydrogen 2.825 N/A ILE 7.A N ILE 260.A O no hydrogen 2.752 N/A CYS 8.A SG ARG 11.A O no hydrogen 3.376 N/A ARG 11.A NE LYS 257.A O no hydrogen 3.050 N/A GLU 15.A N ASN 259.A OD1 no hydrogen 2.785 N/A ALA 17.A N TYR 38.A O no hydrogen 2.743 N/A SER 19.A N GLY 36.A O no hydrogen 2.820 N/A SER 19.A OG ARG 51.A O no hydrogen 3.111 N/A THR 20.A OG1 TYR 2.A OH no hydrogen 3.259 N/A ILE 21.A N PHE 34.A O no hydrogen 2.831 N/A ARG 23.A N HIS 33.A ND1 no hydrogen 2.895 N/A PHE 24.A N ALA 32.A O no hydrogen 3.214 N/A GLN 29.A N ASP 27.A OD2 no hydrogen 3.203 N/A GLN 29.A NE2 ASP 27.A OD1 no hydrogen 3.181 N/A GLN 29.A NE2 PRO 67.A O no hydrogen 2.596 N/A SER 30.A N ASP 27.A O no hydrogen 2.951 N/A SER 30.A OG ASP 27.A O no hydrogen 2.568 N/A ALA 31.A N PRO 28.A O no hydrogen 3.283 N/A ALA 32.A N GLN 29.A O no hydrogen 3.254 N/A HIS 33.A N VAL 111.A O no hydrogen 3.032 N/A PHE 34.A N ILE 21.A O no hydrogen 2.951 N/A PHE 35.A N ALA 109.A O no hydrogen 2.796 N/A GLY 36.A N SER 19.A O no hydrogen 2.837 N/A VAL 37.A N VAL 107.A O no hydrogen 2.931 N/A TYR 38.A N ALA 17.A O no hydrogen 2.670 N/A ASP 39.A N THR 105.A OG1 no hydrogen 2.857 N/A GLY 40.A N GLU 15.A O no hydrogen 2.878 N/A HIS 41.A N GLY 103.A O no hydrogen 2.853 N/A HIS 41.A NE2 ASP 179.A OD1 no hydrogen 3.069 N/A HIS 41.A NE2 ASP 179.A OD2 no hydrogen 2.618 N/A ASN 48.A N SER 44.A O no hydrogen 2.996 N/A TYR 49.A N GLN 45.A O no hydrogen 3.006 N/A TYR 49.A OH GLU 93.A OE1 no hydrogen 2.649 N/A CYS 50.A N VAL 46.A O no hydrogen 2.902 N/A CYS 50.A SG VAL 46.A O no hydrogen 3.452 N/A ARG 51.A N ALA 47.A O no hydrogen 2.992 N/A GLU 52.A N ASN 48.A O no hydrogen 3.043 N/A ARG 53.A N TYR 49.A O no hydrogen 2.812 N/A ARG 53.A N CYS 50.A O no hydrogen 3.215 N/A ARG 53.A NE GLU 93.A OE1 no hydrogen 2.939 N/A ARG 53.A NH1 GLU 60.A OE1 no hydrogen 3.173 N/A ARG 53.A NH1 GLU 60.A OE2 no hydrogen 3.040 N/A ARG 53.A NH2 GLU 60.A OE1 no hydrogen 3.090 N/A ARG 53.A NH2 GLU 93.A OE2 no hydrogen 2.844 N/A MET 54.A N CYS 50.A O no hydrogen 2.798 N/A LEU 56.A N ARG 53.A O no hydrogen 2.855 N/A ALA 57.A N ARG 53.A O no hydrogen 2.859 N/A LEU 58.A N MET 54.A O no hydrogen 2.943 N/A ALA 59.A N HIS 55.A O no hydrogen 3.058 N/A GLU 60.A N LEU 56.A O no hydrogen 3.049 N/A GLU 61.A N ALA 57.A O no hydrogen 2.955 N/A ILE 62.A N LEU 58.A O no hydrogen 2.901 N/A ALA 63.A N ALA 59.A O no hydrogen 3.048 N/A LYS 64.A N GLU 60.A O no hydrogen 3.171 N/A LYS 64.A NZ GLU 61.A OE1 no hydrogen 3.348 N/A GLU 65.A N GLU 61.A O no hydrogen 2.868 N/A LYS 66.A N ILE 62.A O no hydrogen 2.840 N/A MET 68.A N ASP 71.A OD2 no hydrogen 3.265 N/A ASP 71.A N MET 68.A O no hydrogen 2.850 N/A GLY 72.A N LEU 69.A O no hydrogen 3.166 N/A THR 74.A OG1 ASP 71.A O no hydrogen 3.214 N/A TRP 75.A N GLY 72.A O no hydrogen 3.048 N/A TRP 75.A NE1 GLN 29.A OE1 no hydrogen 2.934 N/A GLU 77.A N ASP 73.A O no hydrogen 3.208 N/A LYS 78.A N THR 74.A O no hydrogen 2.817 N/A LYS 78.A NZ GLU 65.A O no hydrogen 3.312 N/A LYS 78.A NZ LYS 66.A O no hydrogen 3.010 N/A LYS 78.A NZ ASP 71.A OD2 no hydrogen 3.082 N/A TRP 79.A N TRP 75.A O no hydrogen 3.121 N/A TRP 79.A NE1 GLN 29.A OE1 no hydrogen 3.037 N/A LYS 80.A N LEU 76.A O no hydrogen 2.997 N/A LYS 81.A N GLU 77.A O no hydrogen 2.956 N/A LYS 81.A NZ GLU 65.A OE2 no hydrogen 3.104 N/A ALA 82.A N LYS 78.A O no hydrogen 2.838 N/A LEU 83.A N TRP 79.A O no hydrogen 2.967 N/A PHE 84.A N LYS 80.A O no hydrogen 2.985 N/A ASN 85.A N LYS 81.A O no hydrogen 2.847 N/A SER 86.A N ALA 82.A O no hydrogen 3.012 N/A SER 86.A OG LEU 83.A O no hydrogen 3.056 N/A PHE 87.A N LEU 83.A O no hydrogen 3.274 N/A LEU 88.A N PHE 84.A O no hydrogen 3.223 N/A ARG 89.A N ASN 85.A O no hydrogen 2.854 N/A ARG 89.A NH1 ALA 57.A O no hydrogen 3.505 N/A VAL 90.A N SER 86.A O no hydrogen 3.082 N/A ASP 91.A N PHE 87.A O no hydrogen 3.036 N/A SER 92.A N LEU 88.A O no hydrogen 2.968 N/A SER 92.A OG ARG 89.A O no hydrogen 2.595 N/A GLU 93.A N ARG 89.A O no hydrogen 3.216 N/A GLU 93.A N VAL 90.A O no hydrogen 3.046 N/A ILE 94.A N ASP 91.A O no hydrogen 3.123 N/A SER 96.A N GLU 93.A O no hydrogen 3.142 N/A SER 96.A OG GLU 93.A O no hydrogen 2.673 N/A VAL 97.A N ILE 94.A O no hydrogen 3.050 N/A ALA 98.A N ILE 94.A O no hydrogen 3.081 N/A VAL 102.A N PRO 99.A O no hydrogen 3.252 N/A GLY 103.A N HIS 41.A O no hydrogen 2.954 N/A SER 104.A N ILE 177.A O no hydrogen 2.861 N/A SER 104.A OG THR 105.A O no hydrogen 2.735 N/A THR 105.A N ASP 39.A O no hydrogen 2.883 N/A THR 105.A OG1 SER 124.A OG no hydrogen 2.644 N/A SER 106.A N CYS 121.A O no hydrogen 2.888 N/A VAL 107.A N VAL 37.A O no hydrogen 3.117 N/A VAL 108.A N ALA 119.A O no hydrogen 2.786 N/A ALA 109.A N PHE 35.A O no hydrogen 2.685 N/A VAL 110.A N PHE 117.A O no hydrogen 2.842 N/A VAL 111.A N HIS 33.A O no hydrogen 2.918 N/A PHE 112.A N HIS 115.A O no hydrogen 2.785 N/A ILE 116.A N VAL 195.A O no hydrogen 2.990 N/A PHE 117.A N VAL 110.A O no hydrogen 2.803 N/A VAL 118.A N THR 193.A O no hydrogen 2.937 N/A ALA 119.A N VAL 108.A O no hydrogen 2.888 N/A ASN 120.A N GLU 191.A O no hydrogen 3.009 N/A ASN 120.A ND2 SER 124.A O no hydrogen 2.931 N/A CYS 121.A N SER 106.A O no hydrogen 2.784 N/A CYS 121.A SG PRO 188.A O no hydrogen 3.378 N/A GLY 122.A N HIS 141.A ND1 no hydrogen 2.910 N/A SER 124.A OG THR 105.A OG1 no hydrogen 2.644 N/A ARG 125.A N ALA 207.A O no hydrogen 2.933 N/A ARG 125.A NE ASP 140.A OD1 no hydrogen 3.120 N/A ARG 125.A NH1 ASP 217.A OD1 no hydrogen 2.998 N/A ARG 125.A NH2 ASP 140.A OD2 no hydrogen 2.809 N/A ALA 126.A N SER 138.A OG no hydrogen 3.114 N/A VAL 127.A N ILE 205.A O no hydrogen 2.723 N/A LEU 128.A N LEU 135.A O no hydrogen 2.708 N/A CYS 129.A N CYS 203.A O no hydrogen 2.858 N/A ARG 130.A N THR 133.A O no hydrogen 2.918 N/A ARG 130.A NE ASP 201.A OD1 no hydrogen 2.797 N/A ARG 130.A NH2 LYS 196.A O no hydrogen 2.914 N/A ARG 130.A NH2 ASP 201.A OD1 no hydrogen 3.367 N/A THR 133.A N ARG 130.A O no hydrogen 3.141 N/A THR 133.A OG1 ARG 130.A O no hydrogen 2.647 N/A LEU 135.A N LEU 128.A O no hydrogen 2.664 N/A LEU 137.A N ALA 126.A O no hydrogen 2.918 N/A HIS 141.A N GLY 122.A O no hydrogen 2.944 N/A HIS 141.A NE2 GLU 191.A OE2 no hydrogen 2.880 N/A ARG 145.A N LYS 142.A O no hydrogen 2.980 N/A ARG 145.A NE ASP 147.A OD1 no hydrogen 2.965 N/A ARG 145.A NH1 ASP 140.A O no hydrogen 3.555 N/A ARG 145.A NH1 GLU 191.A OE2 no hydrogen 2.942 N/A ARG 145.A NH2 ASP 147.A OD1 no hydrogen 3.505 N/A ARG 145.A NH2 ASP 147.A OD2 no hydrogen 2.743 N/A ARG 145.A NH2 GLU 191.A OE1 no hydrogen 3.171 N/A ALA 149.A N ARG 145.A O no hydrogen 2.826 N/A ALA 150.A N GLU 146.A O no hydrogen 3.206 N/A ARG 151.A N ASP 147.A O no hydrogen 3.006 N/A ARG 151.A NE GLU 148.A OE1 no hydrogen 3.308 N/A ARG 151.A NE GLU 148.A OE2 no hydrogen 2.762 N/A ARG 151.A NH1 GLU 148.A OE1 no hydrogen 2.832 N/A ARG 151.A NH1 SER 185.A O no hydrogen 3.300 N/A ARG 151.A NH2 SER 185.A O no hydrogen 2.943 N/A ILE 152.A N GLU 148.A O no hydrogen 2.852 N/A GLU 153.A N ALA 149.A O no hydrogen 3.094 N/A ALA 154.A N ALA 150.A O no hydrogen 2.774 N/A ALA 155.A N ARG 151.A O no hydrogen 2.947 N/A GLY 156.A N GLU 153.A O no hydrogen 2.736 N/A GLY 157.A N ILE 152.A O no hydrogen 2.934 N/A ILE 160.A N ARG 166.A O no hydrogen 2.871 N/A TRP 162.A N GLY 164.A O no hydrogen 2.818 N/A ARG 166.A N ILE 160.A O no hydrogen 2.793 N/A ARG 166.A NE TRP 162.A O no hydrogen 2.889 N/A ARG 166.A NE ASN 163.A O no hydrogen 2.985 N/A ARG 166.A NH1 VAL 170.A O no hydrogen 2.881 N/A ARG 166.A NH2 ASN 163.A O no hydrogen 3.214 N/A VAL 167.A N LEU 171.A O no hydrogen 2.812 N/A PHE 168.A N LYS 158.A O no hydrogen 2.730 N/A GLY 169.A N ARG 166.A O no hydrogen 3.064 N/A VAL 170.A N VAL 167.A O no hydrogen 2.911 N/A LEU 171.A N VAL 167.A O no hydrogen 3.421 N/A SER 174.A N HIS 141.A O no hydrogen 2.866 N/A SER 174.A OG GLU 148.A OE1 no hydrogen 2.588 N/A ARG 175.A NE GLU 148.A OE1 no hydrogen 2.997 N/A ARG 175.A NE GLU 148.A OE2 no hydrogen 3.486 N/A ARG 175.A NH1 ASP 189.A O no hydrogen 2.825 N/A ARG 175.A NH2 GLU 148.A OE2 no hydrogen 2.969 N/A SER 176.A N ILE 187.A O no hydrogen 2.963 N/A SER 176.A OG ASP 179.A OD2 no hydrogen 2.661 N/A ILE 177.A N SER 104.A O no hydrogen 2.827 N/A GLY 178.A N ASP 91.A OD1 no hydrogen 2.791 N/A ASP 179.A N VAL 102.A O no hydrogen 3.001 N/A ARG 180.A NH1 ALA 98.A O no hydrogen 3.028 N/A ARG 180.A NH2 ALA 98.A O no hydrogen 3.008 N/A LEU 182.A N ASP 179.A O no hydrogen 3.051 N/A LYS 183.A N ARG 180.A O no hydrogen 3.155 N/A LYS 183.A NZ ASP 91.A OD1 no hydrogen 3.490 N/A LYS 183.A NZ ASP 91.A OD2 no hydrogen 2.807 N/A ILE 186.A N LEU 182.A O no hydrogen 2.956 N/A GLU 191.A N ASN 120.A O no hydrogen 3.059 N/A THR 193.A N VAL 118.A O no hydrogen 2.843 N/A THR 193.A OG1 LEU 137.A O no hydrogen 3.084 N/A VAL 195.A N ILE 116.A O no hydrogen 2.978 N/A ARG 197.A N SER 114.A O no hydrogen 2.800 N/A ARG 197.A NH1 PHE 112.A O no hydrogen 2.905 N/A ARG 197.A NH2 LEU 267.A O no hydrogen 3.228 N/A VAL 198.A N ASP 201.A OD2 no hydrogen 3.058 N/A LYS 199.A NZ GLU 200.A OE2 no hydrogen 2.734 N/A ASP 201.A N VAL 198.A O no hydrogen 3.014 N/A ASP 202.A N CYS 129.A O no hydrogen 2.927 N/A CYS 203.A N CYS 129.A O no hydrogen 3.467 N/A LEU 204.A N VAL 265.A O no hydrogen 2.876 N/A ILE 205.A N VAL 127.A O no hydrogen 2.917 N/A LEU 206.A N VAL 263.A O no hydrogen 2.972 N/A ALA 207.A N ARG 125.A O no hydrogen 3.062 N/A SER 208.A N SER 261.A O no hydrogen 3.119 N/A SER 208.A OG ASP 16.A OD2 no hydrogen 3.239 N/A VAL 211.A N SER 208.A O no hydrogen 3.035 N/A TRP 212.A NE1 ALA 207.A O no hydrogen 2.716 N/A ASP 213.A N ASP 209.A O no hydrogen 2.894 N/A VAL 214.A N VAL 211.A O no hydrogen 3.069 N/A THR 216.A N GLU 219.A OE2 no hydrogen 2.940 N/A GLU 218.A N GLU 218.A OE1 no hydrogen 2.791 N/A GLU 219.A N THR 216.A OG1 no hydrogen 3.027 N/A ALA 220.A N THR 216.A O no hydrogen 3.023 N/A CYS 221.A N ASP 217.A O no hydrogen 2.917 N/A CYS 221.A SG ASP 217.A O no hydrogen 3.634 N/A GLU 222.A N GLU 218.A O no hydrogen 2.783 N/A MET 223.A N GLU 219.A O no hydrogen 3.055 N/A ALA 224.A N ALA 220.A O no hydrogen 2.994 N/A ARG 225.A N CYS 221.A O no hydrogen 2.899 N/A ARG 225.A NE CYS 221.A O no hydrogen 3.092 N/A ARG 225.A NH1 ASP 202.A OD2 no hydrogen 3.425 N/A LYS 226.A N GLU 222.A O no hydrogen 3.028 N/A ARG 227.A N MET 223.A O no hydrogen 2.952 N/A ILE 228.A N ALA 224.A O no hydrogen 2.960 N/A LEU 229.A N ARG 225.A O no hydrogen 2.856 N/A LEU 230.A N LYS 226.A O no hydrogen 2.742 N/A TRP 231.A N ARG 227.A O no hydrogen 3.285 N/A TRP 231.A N ILE 228.A O no hydrogen 3.276 N/A HIS 232.A N ILE 228.A O no hydrogen 3.331 N/A HIS 232.A ND1 ILE 228.A O no hydrogen 3.120 N/A LYS 233.A N LEU 230.A O no hydrogen 3.411 N/A ALA 240.A N ASP 237.A OD2 no hydrogen 2.971 N/A MET 241.A N ASP 237.A O no hydrogen 2.733 N/A SER 242.A N PRO 238.A O no hydrogen 2.851 N/A ALA 243.A N ALA 239.A O no hydrogen 3.027 N/A ALA 244.A N ALA 240.A O no hydrogen 3.056 N/A GLU 245.A N MET 241.A O no hydrogen 2.870 N/A TYR 246.A N SER 242.A O no hydrogen 3.120 N/A LEU 247.A N ALA 243.A O no hydrogen 3.148 N/A SER 248.A N ALA 244.A O no hydrogen 3.252 N/A SER 248.A OG GLU 245.A O no hydrogen 3.104 N/A LYS 249.A N GLU 245.A O no hydrogen 2.998 N/A LEU 250.A N TYR 246.A O no hydrogen 2.780 N/A ALA 251.A N LEU 247.A O no hydrogen 3.057 N/A ILE 252.A N SER 248.A O no hydrogen 2.948 N/A GLN 253.A N LYS 249.A O no hydrogen 2.898 N/A ARG 254.A N LEU 250.A O no hydrogen 2.863 N/A ARG 254.A NH1 VAL 214.A O no hydrogen 2.990 N/A ARG 254.A NH1 GLU 219.A OE1 no hydrogen 3.302 N/A ARG 254.A NH1 GLU 219.A OE2 no hydrogen 2.726 N/A ARG 254.A NH2 GLU 219.A OE1 no hydrogen 3.049 N/A GLY 255.A N ILE 252.A O no hydrogen 3.018 N/A SER 256.A N ALA 251.A O no hydrogen 2.996 N/A SER 256.A OG GLY 210.A O no hydrogen 2.876 N/A ASN 259.A N ASP 258.A OD1 no hydrogen 2.790 N/A ASN 259.A ND2 CYS 8.A O no hydrogen 2.690 N/A ASN 259.A ND2 GLU 13.A O no hydrogen 3.040 N/A ILE 260.A N ILE 7.A O no hydrogen 2.903 N/A SER 261.A N SER 208.A OG no hydrogen 3.250 N/A SER 261.A OG SER 6.A OG no hydrogen 2.825 N/A SER 261.A OG ASP 16.A OD2 no hydrogen 2.850 N/A VAL 262.A N THR 5.A O no hydrogen 2.792 N/A VAL 263.A N LEU 206.A O no hydrogen 2.674 N/A VAL 264.A N GLY 3.A O no hydrogen 2.865 N/A VAL 265.A N LEU 204.A O no hydrogen 2.863 N/A ASP 266.A N LEU 1.A O no hydrogen 2.823 N/A LEU 267.A N ASP 202.A O no hydrogen 2.786 N/A LYS 268.A N ASP 266.A OD2 no hydrogen 2.987 N/A LYS 268.A NZ LYS 199.A O no hydrogen 3.358 N/A LYS 268.A NZ ASP 201.A O no hydrogen 3.152 N/A