Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5itd_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N LEU 2.A O no hydrogen 3.405 N/A TYR 8.A OH ASP 33.A OD1 no hydrogen 2.655 N/A TYR 8.A OH ASP 33.A OD2 no hydrogen 3.430 N/A TRP 9.A N VAL 31.A O no hydrogen 3.091 N/A TRP 9.A NE1 VAL 76.A O no hydrogen 2.937 N/A ILE 12.A N GLY 10.A O no hydrogen 2.858 N/A SER 13.A N GLU 16.A OE2 no hydrogen 3.009 N/A SER 13.A OG GLU 16.A OE2 no hydrogen 2.888 N/A VAL 17.A N SER 13.A O no hydrogen 3.302 N/A ASN 18.A N ARG 14.A O no hydrogen 2.886 N/A GLU 19.A N GLU 15.A O no hydrogen 3.010 N/A LYS 20.A N GLU 16.A O no hydrogen 2.990 N/A LEU 21.A N VAL 17.A O no hydrogen 2.793 N/A ARG 22.A N GLU 19.A O no hydrogen 3.194 N/A THR 24.A OG1 LEU 21.A O no hydrogen 2.722 N/A GLY 27.A N ARG 43.A O no hydrogen 2.888 N/A THR 28.A N ALA 25.A O no hydrogen 3.022 N/A THR 28.A OG1 ALA 25.A O no hydrogen 2.763 N/A PHE 29.A N TYR 74.A O no hydrogen 3.398 N/A LEU 30.A N THR 41.A O no hydrogen 3.431 N/A VAL 31.A N TRP 7.A O no hydrogen 3.147 N/A ARG 32.A N THR 39.A O no hydrogen 2.930 N/A ASP 33.A N GLY 10.A O no hydrogen 3.204 N/A ALA 34.A N ASP 37.A O no hydrogen 2.900 N/A THR 36.A OG1 SER 35.A O no hydrogen 2.721 N/A THR 39.A N ARG 32.A O no hydrogen 2.805 N/A LEU 40.A N ILE 51.A O no hydrogen 2.795 N/A THR 41.A N LEU 30.A O no hydrogen 3.081 N/A LEU 42.A N LYS 49.A O no hydrogen 2.952 N/A ARG 43.A N THR 28.A O no hydrogen 2.819 N/A ARG 43.A NH2 ASN 48.A OD1 no hydrogen 3.169 N/A LYS 44.A N ASN 47.A O no hydrogen 3.078 N/A GLY 45.A N ASP 26.A OD1 no hydrogen 2.861 N/A ASN 47.A N LYS 44.A O no hydrogen 3.289 N/A ASN 48.A ND2 ASN 18.A OD1 no hydrogen 3.215 N/A LYS 49.A N LEU 42.A O no hydrogen 2.757 N/A ILE 51.A N LEU 40.A O no hydrogen 2.761 N/A SER 62.A OG SER 61.A O no hydrogen 2.804 N/A LEU 66.A N SER 62.A O no hydrogen 3.146 N/A ILE 67.A N VAL 63.A O no hydrogen 2.909 N/A ASN 68.A N VAL 64.A O no hydrogen 2.833 N/A TYR 70.A N ILE 67.A O no hydrogen 2.817 N/A ARG 71.A N ILE 67.A O no hydrogen 2.748 N/A VAL 76.A N PHE 29.A O no hydrogen 3.363 N/A VAL 81.A N GLN 224.A OE1 no hydrogen 3.368 N/A VAL 90.A N ASN 86.A O no hydrogen 3.254 N/A GLY 91.A N ILE 87.A O no hydrogen 2.869 N/A LYS 92.A N GLU 88.A O no hydrogen 2.954 N/A LYS 93.A N ALA 89.A O no hydrogen 3.007 N/A LYS 93.A NZ GLU 96.A OE1 no hydrogen 2.808 N/A LEU 94.A N VAL 90.A O no hydrogen 2.778 N/A HIS 95.A N GLY 91.A O no hydrogen 2.895 N/A GLU 96.A N LYS 92.A O no hydrogen 3.188 N/A TYR 97.A N LYS 93.A O no hydrogen 2.940 N/A ASN 98.A N LEU 94.A O no hydrogen 2.835 N/A THR 99.A N HIS 95.A O no hydrogen 2.919 N/A THR 99.A OG1 HIS 95.A O no hydrogen 2.727 N/A GLN 100.A N GLU 96.A O no hydrogen 2.903 N/A PHE 101.A N TYR 97.A O no hydrogen 2.809 N/A GLN 102.A N ASN 98.A O no hydrogen 3.047 N/A GLN 102.A NE2 ASN 98.A OD1 no hydrogen 2.879 N/A GLU 103.A N THR 99.A O no hydrogen 3.193 N/A LYS 104.A N GLN 100.A O no hydrogen 3.028 N/A SER 105.A N PHE 101.A O no hydrogen 2.782 N/A SER 105.A OG PHE 101.A O no hydrogen 3.200 N/A ARG 106.A N GLN 102.A O no hydrogen 2.982 N/A GLU 107.A N GLU 103.A O no hydrogen 2.918 N/A TYR 108.A N LYS 104.A O no hydrogen 2.949 N/A ASP 109.A N SER 105.A O no hydrogen 2.819 N/A ARG 110.A N ARG 106.A O no hydrogen 2.880 N/A LEU 111.A N GLU 107.A O no hydrogen 2.938 N/A TYR 112.A N TYR 108.A O no hydrogen 2.836 N/A GLU 113.A N ASP 109.A O no hydrogen 3.063 N/A GLU 113.A N ARG 110.A O no hydrogen 3.029 N/A GLU 114.A N ARG 110.A O no hydrogen 3.158 N/A TYR 115.A N LEU 111.A O no hydrogen 2.798 N/A THR 116.A N TYR 112.A O no hydrogen 3.227 N/A THR 116.A OG1 TYR 112.A O no hydrogen 3.026 N/A THR 116.A OG1 GLU 113.A O no hydrogen 3.262 N/A ARG 117.A N GLU 113.A O no hydrogen 3.029 N/A ARG 117.A NE GLU 114.A OE2 no hydrogen 3.189 N/A ARG 117.A NH1 GLU 121.A OE2 no hydrogen 3.374 N/A ARG 117.A NH2 GLU 114.A OE1 no hydrogen 2.806 N/A THR 118.A N GLU 114.A O no hydrogen 2.974 N/A THR 118.A OG1 GLU 114.A O no hydrogen 2.937 N/A SER 119.A N TYR 115.A O no hydrogen 2.858 N/A GLN 120.A N THR 116.A O no hydrogen 2.763 N/A GLU 121.A N ARG 117.A O no hydrogen 2.933 N/A ILE 122.A N THR 118.A O no hydrogen 2.942 N/A GLN 123.A N SER 119.A O no hydrogen 3.444 N/A MET 124.A N GLN 120.A O no hydrogen 2.976 N/A LYS 125.A N GLU 121.A O no hydrogen 3.098 N/A LYS 125.A NZ GLN 197.A OE1 no hydrogen 2.825 N/A ARG 126.A N ILE 122.A O no hydrogen 3.011 N/A THR 127.A N GLN 123.A O no hydrogen 3.354 N/A THR 127.A OG1 GLN 123.A O no hydrogen 3.394 N/A ALA 128.A N MET 124.A O no hydrogen 3.202 N/A ILE 129.A N LYS 125.A O no hydrogen 2.901 N/A GLU 130.A N ARG 126.A O no hydrogen 3.179 N/A ALA 131.A N THR 127.A O no hydrogen 3.042 N/A PHE 132.A N ALA 128.A O no hydrogen 2.838 N/A ASN 133.A N ILE 129.A O no hydrogen 2.761 N/A GLU 134.A N GLU 130.A O no hydrogen 3.280 N/A THR 135.A N ALA 131.A O no hydrogen 2.989 N/A THR 135.A OG1 ALA 131.A O no hydrogen 2.750 N/A ILE 136.A N PHE 132.A O no hydrogen 2.954 N/A LYS 137.A N ASN 133.A O no hydrogen 3.185 N/A LYS 137.A NZ GLU 134.A OE2 no hydrogen 3.417 N/A ILE 138.A N GLU 134.A O no hydrogen 3.175 N/A PHE 139.A N THR 135.A O no hydrogen 3.030 N/A GLU 140.A N ILE 136.A O no hydrogen 2.826 N/A GLU 141.A N LYS 137.A O no hydrogen 2.808 N/A GLN 142.A N ILE 138.A O no hydrogen 2.832 N/A CYS 143.A N PHE 139.A O no hydrogen 2.979 N/A GLN 144.A N GLU 140.A O no hydrogen 2.925 N/A THR 145.A N GLU 141.A O no hydrogen 3.056 N/A THR 145.A OG1 GLU 141.A O no hydrogen 2.830 N/A GLN 146.A N GLN 142.A O no hydrogen 3.157 N/A GLN 146.A NE2 ASN 172.A OD1 no hydrogen 3.439 N/A GLU 147.A N CYS 143.A O no hydrogen 3.228 N/A ARG 148.A N GLN 144.A O no hydrogen 3.028 N/A TYR 149.A N THR 145.A O no hydrogen 3.094 N/A SER 150.A N GLN 146.A O no hydrogen 2.759 N/A SER 150.A OG GLN 146.A O no hydrogen 3.117 N/A ILE 154.A N SER 150.A O no hydrogen 2.949 N/A GLU 155.A N LYS 151.A O no hydrogen 3.409 N/A LYS 156.A N GLU 152.A O no hydrogen 3.017 N/A PHE 157.A N TYR 153.A O no hydrogen 3.197 N/A LYS 158.A N ILE 154.A O no hydrogen 3.006 N/A GLU 160.A N PHE 157.A O no hydrogen 3.138 N/A ASN 162.A N PHE 157.A O no hydrogen 3.116 N/A GLU 165.A N ASN 162.A OD1 no hydrogen 3.316 N/A GLN 167.A N GLU 163.A O no hydrogen 3.215 N/A ARG 168.A N GLU 165.A O no hydrogen 3.147 N/A ARG 168.A NE GLU 165.A OE1 no hydrogen 3.350 N/A ILE 169.A N GLU 165.A O no hydrogen 3.278 N/A MET 170.A N ILE 166.A O no hydrogen 2.814 N/A HIS 171.A N GLN 167.A O no hydrogen 3.220 N/A ASN 172.A N ARG 168.A O no hydrogen 3.047 N/A TYR 173.A N ILE 169.A O no hydrogen 3.130 N/A TYR 173.A OH GLU 147.A OE1 no hydrogen 2.963 N/A ASP 174.A N MET 170.A O no hydrogen 2.910 N/A LYS 175.A N HIS 171.A O no hydrogen 2.965 N/A LEU 176.A N ASN 172.A O no hydrogen 2.952 N/A LYS 177.A N TYR 173.A O no hydrogen 2.912 N/A SER 178.A N ASP 174.A O no hydrogen 2.947 N/A SER 178.A OG ASP 174.A O no hydrogen 3.496 N/A SER 178.A OG LYS 175.A O no hydrogen 2.977 N/A ARG 179.A N LYS 175.A O no hydrogen 3.270 N/A ILE 180.A N LEU 176.A O no hydrogen 2.852 N/A SER 181.A N LYS 177.A O no hydrogen 3.064 N/A SER 181.A OG LYS 177.A O no hydrogen 3.276 N/A GLU 182.A N SER 178.A O no hydrogen 2.995 N/A ILE 183.A N ARG 179.A O no hydrogen 2.943 N/A ILE 184.A N ILE 180.A O no hydrogen 2.948 N/A ASP 185.A N SER 181.A O no hydrogen 2.952 N/A SER 186.A N GLU 182.A O no hydrogen 3.234 N/A SER 186.A OG GLU 182.A O no hydrogen 2.730 N/A ARG 187.A N ILE 183.A O no hydrogen 3.000 N/A ARG 188.A N ILE 184.A O no hydrogen 2.934 N/A ARG 189.A N ASP 185.A O no hydrogen 2.867 N/A LEU 190.A N SER 186.A O no hydrogen 3.111 N/A GLU 191.A N ARG 187.A O no hydrogen 2.872 N/A GLU 192.A N ARG 188.A O no hydrogen 3.199 N/A ASP 193.A N ARG 189.A O no hydrogen 3.228 N/A LEU 194.A N LEU 190.A O no hydrogen 2.981 N/A LYS 195.A N GLU 191.A O no hydrogen 3.044 N/A LYS 196.A N GLU 192.A O no hydrogen 2.851 N/A GLN 197.A N ASP 193.A O no hydrogen 2.826 N/A GLN 197.A NE2 GLU 121.A OE1 no hydrogen 2.798 N/A ALA 198.A N LEU 194.A O no hydrogen 2.720 N/A ALA 199.A N LYS 195.A O no hydrogen 3.137 N/A GLU 200.A N LYS 196.A O no hydrogen 2.934 N/A TYR 201.A N GLN 197.A O no hydrogen 3.028 N/A ARG 202.A N ALA 198.A O no hydrogen 3.170 N/A GLU 203.A N ALA 199.A O no hydrogen 3.310 N/A ILE 204.A N GLU 200.A O no hydrogen 2.924 N/A ASP 205.A N TYR 201.A O no hydrogen 2.723 N/A LYS 206.A N ARG 202.A O no hydrogen 2.979 N/A ARG 207.A N GLU 203.A O no hydrogen 2.963 N/A MET 208.A N ILE 204.A O no hydrogen 3.174 N/A ASN 209.A N ASP 205.A O no hydrogen 3.030 N/A SER 210.A N ARG 207.A O no hydrogen 3.071 N/A SER 210.A OG LYS 206.A O no hydrogen 3.173 N/A ILE 211.A N ARG 207.A O no hydrogen 2.951 N/A LYS 212.A N MET 208.A O no hydrogen 3.044 N/A LEU 215.A N ILE 211.A O no hydrogen 2.962 N/A ILE 216.A N LYS 212.A O no hydrogen 3.118 N/A GLN 217.A N PRO 213.A O no hydrogen 3.270 N/A LEU 218.A N ASP 214.A O no hydrogen 3.205 N/A ARG 219.A N LEU 215.A O no hydrogen 3.108 N/A LYS 220.A N ILE 216.A O no hydrogen 3.022 N/A THR 221.A N GLN 217.A O no hydrogen 2.917 N/A THR 221.A OG1 GLN 217.A O no hydrogen 2.850 N/A ARG 222.A N LEU 218.A O no hydrogen 2.900 N/A ASP 223.A N ARG 219.A O no hydrogen 2.925 N/A GLN 224.A N LYS 220.A O no hydrogen 2.738 N/A TYR 225.A N THR 221.A O no hydrogen 3.085 N/A TYR 225.A OH GLU 84.A OE1 no hydrogen 2.731 N/A LEU 226.A N ARG 222.A O no hydrogen 2.866 N/A MET 227.A N ASP 223.A O no hydrogen 2.867 N/A TRP 228.A N GLN 224.A O no hydrogen 3.133 N/A LEU 229.A N TYR 225.A O no hydrogen 3.310 N/A THR 230.A N LEU 226.A O no hydrogen 3.114 N/A THR 230.A OG1 LEU 226.A O no hydrogen 3.083 N/A GLN 231.A N MET 227.A O no hydrogen 2.976 N/A LYS 232.A N TRP 228.A O no hydrogen 2.798 N/A GLY 233.A N LEU 229.A O no hydrogen 3.224 N/A