Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ddz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N GLN 211.A O no hydrogen 3.028 N/A GLU 12.A N THR 9.A OG1 no hydrogen 2.907 N/A LEU 13.A N THR 9.A O no hydrogen 2.944 N/A GLU 14.A N ILE 10.A O no hydrogen 3.021 N/A ALA 15.A N GLY 11.A O no hydrogen 3.004 N/A ALA 16.A N GLU 12.A O no hydrogen 3.051 N/A LYS 17.A N GLU 14.A O no hydrogen 3.320 N/A LYS 17.A NZ GLY 48.A O no hydrogen 3.264 N/A LYS 17.A NZ LEU 49.A O no hydrogen 3.081 N/A LYS 17.A NZ ASP 51.A OD1 no hydrogen 3.398 N/A LYS 17.A NZ ASP 51.A OD2 no hydrogen 2.790 N/A ARG 20.A N LYS 17.A O no hydrogen 3.180 N/A ARG 20.A NE LYS 17.A O no hydrogen 2.837 N/A ARG 20.A NH1 LEU 129.A O no hydrogen 3.030 N/A ARG 20.A NH2 ALA 16.A O no hydrogen 2.502 N/A ARG 20.A NH2 LEU 130.A O no hydrogen 3.296 N/A THR 21.A N ASP 105.A OD1 no hydrogen 2.761 N/A THR 21.A OG1 ASP 105.A OD1 no hydrogen 3.228 N/A ILE 22.A N ASP 51.A OD2 no hydrogen 2.942 N/A SER 23.A N ILE 106.A O no hydrogen 2.829 N/A SER 23.A OG GLU 52.A OE2 no hydrogen 2.442 N/A VAL 24.A N GLU 52.A O no hydrogen 2.718 N/A VAL 25.A N VAL 108.A O no hydrogen 2.764 N/A LEU 26.A N ILE 54.A O no hydrogen 2.808 N/A ALA 28.A N LEU 56.A O no hydrogen 2.829 N/A ASN 30.A N SER 60.A OG no hydrogen 2.872 N/A GLU 31.A N THR 64.A OG1 no hydrogen 2.833 N/A GLU 32.A N ASP 62.A OD2 no hydrogen 3.338 N/A THR 34.A N GLU 31.A O no hydrogen 3.039 N/A THR 34.A OG1 GLU 31.A O no hydrogen 3.458 N/A THR 34.A OG1 SER 112.A O no hydrogen 2.686 N/A ILE 35.A N GLU 31.A O no hydrogen 2.925 N/A SER 37.A OG.A THR 34.A O no hydrogen 2.736 N/A SER 37.A OG.B ASN 116.A OD1 no hydrogen 3.098 N/A VAL 38.A N THR 34.A O no hydrogen 3.245 N/A ILE 39.A N ILE 35.A O no hydrogen 2.882 N/A ASP 40.A N GLU 36.A O no hydrogen 2.781 N/A SER 41.A N SER 37.A O no hydrogen 2.933 N/A SER 41.A N VAL 38.A O no hydrogen 3.130 N/A SER 41.A OG SER 37.A O no hydrogen 3.561 N/A SER 41.A OG VAL 38.A O no hydrogen 2.611 N/A ILE 42.A N ILE 39.A O no hydrogen 2.942 N/A SER 43.A N ILE 39.A O no hydrogen 2.937 N/A SER 43.A OG ILE 39.A O no hydrogen 3.271 N/A LEU 45.A N ILE 42.A O no hydrogen 2.851 N/A VAL 46.A N SER 43.A O no hydrogen 2.986 N/A ASP 47.A N VAL 50.A O no hydrogen 2.844 N/A GLY 48.A N LEU 45.A O no hydrogen 3.084 N/A VAL 50.A N LEU 45.A O no hydrogen 2.920 N/A ASP 51.A N ILE 22.A O no hydrogen 2.909 N/A GLU 52.A N ILE 22.A O no hydrogen 3.235 N/A ILE 54.A N VAL 24.A O no hydrogen 2.867 N/A VAL 55.A N ARG 74.A O no hydrogen 2.946 N/A LEU 56.A N LEU 26.A O no hydrogen 2.739 N/A ASP 57.A N VAL 76.A O no hydrogen 2.813 N/A SER 58.A N ALA 28.A O no hydrogen 2.702 N/A SER 58.A OG.A SER 58.A O no hydrogen 2.710 N/A SER 58.A OG.B ALA 28.A O no hydrogen 3.440 N/A SER 58.A OG.B LEU 56.A O no hydrogen 3.209 N/A SER 60.A N ASP 57.A OD1 no hydrogen 3.002 N/A SER 60.A OG ALA 28.A O no hydrogen 3.566 N/A SER 60.A OG ASP 57.A OD1 no hydrogen 2.681 N/A THR 61.A N ASN 30.A OD1 no hydrogen 2.697 N/A ASP 62.A N ASN 30.A OD1 no hydrogen 3.107 N/A ASP 63.A N GLU 32.A OE1 no hydrogen 2.944 N/A THR 64.A N ASP 62.A OD1 no hydrogen 3.044 N/A THR 64.A OG1 ASP 62.A OD1 no hydrogen 2.550 N/A THR 64.A OG1 ASP 62.A OD2 no hydrogen 3.378 N/A ARG 67.A N ASP 63.A O no hydrogen 2.902 N/A ARG 67.A NH1 GLU 32.A O no hydrogen 2.963 N/A ALA 68.A N THR 64.A O no hydrogen 2.915 N/A ILE 69.A N GLU 65.A O no hydrogen 2.827 N/A ALA 70.A N ILE 66.A O no hydrogen 2.938 N/A SER 71.A N ALA 68.A O no hydrogen 2.861 N/A SER 71.A OG ARG 67.A O no hydrogen 3.388 N/A GLY 72.A N ILE 69.A O no hydrogen 2.690 N/A ALA 73.A N ALA 68.A O no hydrogen 3.157 N/A ARG 74.A NH1 ALA 101.A O no hydrogen 3.402 N/A VAL 76.A N VAL 55.A O no hydrogen 2.697 N/A SER 77.A N GLN 80.A OE1 no hydrogen 2.813 N/A SER 77.A OG GLU 79.A OE1 no hydrogen 3.544 N/A GLU 79.A N GLU 79.A OE1 no hydrogen 2.662 N/A GLN 80.A N SER 77.A OG no hydrogen 3.085 N/A ALA 81.A N SER 77.A O no hydrogen 2.962 N/A GLU 84.A N GLU 84.A OE2 no hydrogen 2.780 N/A VAL 85.A N LEU 82.A O no hydrogen 3.402 N/A ARG 88.A N GLU 93.A OE2 no hydrogen 2.929 N/A LYS 91.A NZ ASP 111.A OD1 no hydrogen 3.124 N/A LYS 91.A NZ GLU 193.A OE1 no hydrogen 2.996 N/A LYS 91.A NZ GLU 193.A OE2 no hydrogen 3.556 N/A GLY 92.A N GLY 189.A O no hydrogen 3.106 N/A LEU 95.A N LYS 91.A O no hydrogen 3.082 N/A TRP 96.A N GLY 92.A O no hydrogen 2.958 N/A ARG 97.A N GLU 93.A O no hydrogen 2.885 N/A ARG 97.A NE GLU 93.A OE2 no hydrogen 2.965 N/A ARG 97.A NH1 ARG 78.A O no hydrogen 2.952 N/A ARG 97.A NH1 LEU 82.A O no hydrogen 2.801 N/A ARG 97.A NH1 VAL 85.A O no hydrogen 3.215 N/A ARG 97.A NH2 VAL 85.A O no hydrogen 2.602 N/A ARG 97.A NH2 GLU 93.A OE2 no hydrogen 2.961 N/A SER 98.A N ALA 94.A O no hydrogen 2.915 N/A SER 98.A OG LEU 95.A O no hydrogen 2.658 N/A LEU 99.A N TRP 96.A O no hydrogen 2.948 N/A ALA 100.A N ARG 97.A O no hydrogen 2.911 N/A ALA 101.A N SER 98.A O no hydrogen 3.090 N/A THR 102.A OG1 SER 98.A O no hydrogen 2.862 N/A THR 102.A OG1 LEU 99.A O no hydrogen 3.493 N/A SER 103.A N GLU 52.A OE2 no hydrogen 3.088 N/A GLY 104.A N SER 23.A OG no hydrogen 2.903 N/A ASP 105.A N THR 21.A OG1 no hydrogen 2.976 N/A ILE 106.A N THR 21.A O no hydrogen 2.786 N/A VAL 107.A N ALA 176.A O no hydrogen 2.887 N/A VAL 108.A N SER 23.A O no hydrogen 2.784 N/A PHE 109.A N TYR 174.A O no hydrogen 2.720 N/A ILE 110.A N VAL 25.A O no hydrogen 3.118 N/A ASP 111.A N GLU 173.A OE2 no hydrogen 2.880 N/A SER 112.A OG PRO 27.A O no hydrogen 2.740 N/A ILE 115.A N ALA 218.A O.A no hydrogen 2.964 N/A LEU 120.A N HIS 118.A ND1 no hydrogen 3.242 N/A PHE 121.A N HIS 118.A O no hydrogen 3.181 N/A TRP 124.A N LEU 120.A O no hydrogen 2.848 N/A LEU 125.A N PHE 121.A O no hydrogen 2.978 N/A VAL 126.A N VAL 122.A O no hydrogen 3.085 N/A LEU 130.A N VAL 126.A O no hydrogen 3.063 N/A LEU 130.A N GLY 127.A O no hydrogen 3.036 N/A THR 131.A N GLY 127.A O no hydrogen 2.914 N/A THR 131.A OG1 GLY 127.A O no hydrogen 2.998 N/A GLN 136.A N ALA 208.A O no hydrogen 2.796 N/A LEU 137.A N ALA 208.A O no hydrogen 3.108 N/A VAL 138.A N ALA 175.A O no hydrogen 2.752 N/A LYS 139.A N ALA 210.A O no hydrogen 2.768 N/A LYS 139.A NZ PRO 169.A O no hydrogen 3.521 N/A LYS 139.A NZ SER 171.A O no hydrogen 2.783 N/A SER 140.A N GLU 173.A O no hydrogen 3.156 N/A SER 140.A OG SER 171.A OG no hydrogen 2.303 N/A SER 140.A OG GLU 173.A O no hydrogen 2.898 N/A PHE 141.A N VAL 212.A O no hydrogen 2.985 N/A TYR 142.A OH SER 171.A OG no hydrogen 3.227 N/A ARG 143.A N GLY 215.A O.A no hydrogen 2.830 N/A ARG 143.A N GLY 215.A O.B no hydrogen 2.844 N/A ARG 146.A NH2 ARG 222.A O.A no hydrogen 3.462 N/A GLU 149.A N GLY 145.A O no hydrogen 2.924 N/A LEU 150.A N ARG 146.A O no hydrogen 2.965 N/A VAL 151.A N VAL 147.A O no hydrogen 2.873 N/A ALA 152.A N VAL 147.A O no hydrogen 2.989 N/A ARG 153.A N THR 148.A O no hydrogen 2.939 N/A ARG 153.A NE VAL 166.A O no hydrogen 2.990 N/A ARG 153.A NH1 GLU 149.A OE1 no hydrogen 3.144 N/A ARG 153.A NH2 GLY 164.A O no hydrogen 2.910 N/A LEU 155.A N VAL 151.A O no hydrogen 2.944 N/A LEU 156.A N ALA 152.A O no hydrogen 2.892 N/A ALA 157.A N ARG 153.A O no hydrogen 2.824 N/A ALA 158.A N PRO 154.A O no hydrogen 3.130 N/A LEU 159.A N LEU 155.A O no hydrogen 2.848 N/A LEU 159.A N LEU 156.A O no hydrogen 3.277 N/A ARG 160.A N LEU 156.A O no hydrogen 2.705 N/A ARG 160.A NE ASP 202.A OD1 no hydrogen 2.806 N/A ARG 160.A NH1 LEU 159.A O no hydrogen 3.212 N/A ARG 160.A NH2 ASP 202.A OD2 no hydrogen 2.913 N/A ARG 160.A NH2 ARG 241.A O no hydrogen 2.809 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 2.737 N/A LEU 163.A N ARG 160.A O no hydrogen 2.795 N/A GLY 164.A N PRO 161.A O no hydrogen 2.953 N/A CYS 165.A SG GLU 162.A O no hydrogen 3.603 N/A VAL 166.A N LEU 163.A O no hydrogen 3.183 N/A LEU 167.A N GLN 211.A OE1 no hydrogen 2.893 N/A SER 171.A N GLN 168.A O no hydrogen 3.012 N/A SER 171.A OG SER 140.A O no hydrogen 3.563 N/A SER 171.A OG SER 140.A OG no hydrogen 2.303 N/A SER 171.A OG TYR 142.A OH no hydrogen 3.227 N/A SER 171.A OG GLU 173.A O no hydrogen 3.489 N/A TYR 174.A N PHE 109.A O no hydrogen 3.076 N/A ALA 175.A N VAL 138.A O no hydrogen 3.026 N/A ALA 176.A N VAL 107.A O no hydrogen 2.986 N/A SER 177.A N GLN 136.A O no hydrogen 3.069 N/A SER 177.A OG GLN 136.A OE1 no hydrogen 3.088 N/A ARG 178.A N ASP 105.A O no hydrogen 2.993 N/A ARG 178.A NE GLY 104.A O no hydrogen 2.616 N/A ARG 178.A NH1 THR 102.A OG1 no hydrogen 2.763 N/A ARG 178.A NH1 GLY 104.A O no hydrogen 3.378 N/A ARG 178.A NH2 LEU 99.A O no hydrogen 2.772 N/A LEU 180.A N SER 177.A OG no hydrogen 2.933 N/A LEU 181.A N SER 177.A O no hydrogen 3.009 N/A THR 182.A N ARG 178.A O no hydrogen 2.829 N/A THR 182.A OG1 ARG 178.A O no hydrogen 2.714 N/A SER 183.A N LEU 180.A O no hydrogen 2.895 N/A SER 183.A OG.A GLU 179.A O no hydrogen 3.524 N/A SER 183.A OG.A LEU 180.A O no hydrogen 2.841 N/A SER 183.A OG.B GLU 179.A O no hydrogen 2.744 N/A LEU 184.A N LEU 181.A O no hydrogen 3.169 N/A PHE 186.A N ARG 269.A O no hydrogen 2.860 N/A GLY 191.A N PRO 188.A O no hydrogen 3.094 N/A GLY 195.A N GLY 191.A O no hydrogen 3.023 N/A LEU 196.A N VAL 192.A O no hydrogen 3.029 N/A LEU 197.A N GLU 193.A O no hydrogen 3.021 N/A ILE 198.A N ILE 194.A O no hydrogen 2.954 N/A ASP 199.A N GLY 195.A O no hydrogen 2.898 N/A THR 200.A N LEU 196.A O no hydrogen 2.980 N/A THR 200.A OG1 LEU 196.A O no hydrogen 2.838 N/A PHE 201.A N LEU 197.A O no hydrogen 3.000 N/A ASP 202.A N ILE 198.A O no hydrogen 2.878 N/A ARG 203.A N ASP 199.A O no hydrogen 2.966 N/A LEU 204.A N THR 200.A O no hydrogen 2.793 N/A GLY 205.A N PHE 201.A O no hydrogen 2.713 N/A ALA 208.A N GLY 205.A O no hydrogen 3.121 N/A ILE 209.A N LEU 206.A O no hydrogen 2.913 N/A ALA 210.A N LEU 137.A O no hydrogen 2.928 N/A GLN 211.A NE2 CYS 165.A O no hydrogen 2.867 N/A VAL 212.A N LYS 139.A O no hydrogen 2.839 N/A ASN 213.A N TRP 3.A O no hydrogen 3.372 N/A ASN 213.A ND2 HIS 4.A O no hydrogen 3.553 N/A LEU 214.A N PHE 141.A O no hydrogen 3.001 N/A GLY 215.A N.A ASN 213.A OD1 no hydrogen 2.654 N/A GLY 215.A N.B ASN 213.A OD1 no hydrogen 2.654 N/A ARG 217.A NH1.A ASP 113.A OD1 no hydrogen 2.704 N/A ARG 217.A NH2.A GLU 173.A OE1 no hydrogen 2.633 N/A ARG 217.A NH2.A GLU 173.A OE2 no hydrogen 2.989 N/A ARG 217.A NH2.B GLU 173.A OE2 no hydrogen 3.251 N/A GLU 226.A N ASP 225.A OD2 no hydrogen 2.738 N/A LEU 227.A N PRO 223.A O.A no hydrogen 3.231 N/A LEU 227.A N PRO 223.A O.B no hydrogen 3.175 N/A GLY 228.A N LEU 224.A O no hydrogen 2.910 N/A GLY 228.A N ASP 225.A O no hydrogen 3.016 N/A ALA 229.A N ASP 225.A O no hydrogen 3.406 N/A MET 230.A N GLU 226.A O no hydrogen 3.189 N/A SER 231.A N LEU 227.A O no hydrogen 2.966 N/A ARG 232.A N GLY 228.A O no hydrogen 2.842 N/A ARG 232.A NE VAL 249.A O no hydrogen 2.986 N/A ARG 232.A NH1 ARG 232.A O no hydrogen 3.224 N/A ARG 232.A NH1 ASP 246.A OD1 no hydrogen 2.761 N/A ARG 232.A NH1 ASP 246.A OD2 no hydrogen 3.487 N/A ARG 232.A NH2 ASP 246.A OD1 no hydrogen 3.543 N/A ARG 232.A NH2 ASP 246.A OD2 no hydrogen 2.829 N/A ARG 232.A NH2 VAL 249.A O no hydrogen 2.683 N/A GLN 233.A N ALA 229.A O no hydrogen 3.102 N/A GLN 233.A NE2 GLN 233.A O no hydrogen 3.313 N/A GLN 233.A NE2 THR 237.A OG1 no hydrogen 3.363 N/A GLN 233.A NE2 SER 265.A O no hydrogen 2.995 N/A VAL 234.A N MET 230.A O no hydrogen 2.974 N/A ILE 235.A N SER 231.A O no hydrogen 2.865 N/A ALA 236.A N ARG 232.A O no hydrogen 2.898 N/A THR 237.A N GLN 233.A O no hydrogen 2.848 N/A THR 237.A OG1 GLN 233.A O no hydrogen 3.033 N/A LEU 238.A N VAL 234.A O no hydrogen 2.882 N/A LEU 239.A N ILE 235.A O no hydrogen 2.717 N/A SER 240.A N ALA 236.A O no hydrogen 3.026 N/A SER 240.A OG ALA 236.A O no hydrogen 2.842 N/A ARG 241.A N THR 237.A O no hydrogen 3.064 N/A ARG 241.A NE ASP 199.A OD1 no hydrogen 2.793 N/A ARG 241.A NE ASP 199.A OD2 no hydrogen 2.869 N/A ARG 241.A NH2 ASP 199.A OD2 no hydrogen 3.102 N/A CYS 242.A N LEU 238.A O no hydrogen 3.054 N/A CYS 242.A N LEU 239.A O no hydrogen 2.946 N/A CYS 242.A SG LEU 238.A O no hydrogen 3.357 N/A GLY 243.A N SER 240.A O no hydrogen 3.108 N/A ILE 244.A N LEU 239.A O no hydrogen 2.880 N/A GLY 248.A N ASP 246.A OD2 no hydrogen 2.657 N/A VAL 249.A N SER 247.A OG no hydrogen 2.752 N/A GLN 253.A N HIS 260.A O no hydrogen 2.836 N/A GLN 253.A NE2 ASP 225.A O no hydrogen 3.296 N/A LEU 255.A N THR 258.A O no hydrogen 2.670 N/A HIS 260.A N GLN 253.A O no hydrogen 2.958 N/A TRP 262.A N LEU 251.A O no hydrogen 3.002 N/A TRP 262.A NE1 GLN 253.A OE1 no hydrogen 2.777 N/A SER 265.A N GLN 233.A OE1 no hydrogen 2.944 N/A SER 265.A OG VAL 267.A O no hydrogen 3.519 N/A VAL 267.A N SER 265.A OG no hydrogen 3.133 N/A ARG 269.A N PHE 186.A O no hydrogen 2.817 N/A ARG 269.A NE GLU 93.A OE1 no hydrogen 3.014 N/A ARG 269.A NH2 GLU 93.A OE2 no hydrogen 3.105 N/A LYS 273.A N THR 182.A O no hydrogen 3.102 N/A LYS 273.A NZ GLU 179.A O no hydrogen 3.508 N/A LYS 273.A NZ GLU 179.A OE2 no hydrogen 2.712 N/A LYS 273.A NZ SER 183.A OG.B no hydrogen 2.205 N/A VAL 274.A N PRO 271.A O no hydrogen 3.014 N/A MET 275.A N MET 272.A O no hydrogen 2.709 N/A ARG 276.A N LYS 273.A O no hydrogen 2.925 N/A